smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643654 751601383 /nfs/dbraw/zinc/60/13/83/751601383.db2.gz FKBZVUDXKHYUDM-HUUCEWRRSA-N 2 0 322.453 0.233 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001106986070 751710776 /nfs/dbraw/zinc/71/07/76/751710776.db2.gz DUIUVOBQFUZEOW-BZUAXINKSA-N 2 0 307.438 0.272 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]C[C@H](C)O)[C@H](C)C2)CC1 ZINC001107033914 751774203 /nfs/dbraw/zinc/77/42/03/751774203.db2.gz DTFTWVPDTUPXPS-HLLBOEOZSA-N 2 0 321.465 0.397 20 30 DCEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083781689 751788320 /nfs/dbraw/zinc/78/83/20/751788320.db2.gz RQZHRQHTWUHRFS-CABCVRRESA-N 2 0 309.454 0.846 20 30 DCEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089895104 751934068 /nfs/dbraw/zinc/93/40/68/751934068.db2.gz YYXCWMUWFXSEJC-NXOAAHMSSA-N 2 0 313.445 0.884 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[NH2+]CCCO)CC2)CC1 ZINC001206949012 747049785 /nfs/dbraw/zinc/04/97/85/747049785.db2.gz MCYJYFDHRXFARV-UHFFFAOYSA-N 2 0 321.465 0.542 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](C(C)C)C[C@@H]32)CC1 ZINC001083283692 747856965 /nfs/dbraw/zinc/85/69/65/747856965.db2.gz OFEUJPHMEZSCGS-DLBZAZTESA-N 2 0 319.449 0.652 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168029152 749090318 /nfs/dbraw/zinc/09/03/18/749090318.db2.gz CWNCWWAMMRGHNW-HZPDHXFCSA-N 2 0 307.438 0.749 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC001088912780 750724049 /nfs/dbraw/zinc/72/40/49/750724049.db2.gz QRLJGIGQHCBCPA-ZBFHGGJFSA-N 2 0 317.437 0.661 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001106255577 751068199 /nfs/dbraw/zinc/06/81/99/751068199.db2.gz YMYZYEAOVXQQKU-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](C[C@H](C)O)C2)CC1 ZINC001046850520 751298788 /nfs/dbraw/zinc/29/87/88/751298788.db2.gz VLNMXLUASQARKF-YOEHRIQHSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CCCN1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001107953214 752594049 /nfs/dbraw/zinc/59/40/49/752594049.db2.gz UVEPLCIYHSQKNR-JZXOWHBKSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCN1C[C@H](NC(=O)C[N@@H+](C)CCC)CC2(CCOCC2)C1 ZINC001099596430 752604899 /nfs/dbraw/zinc/60/48/99/752604899.db2.gz CEILDGSKOYJXAH-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001077838869 752794014 /nfs/dbraw/zinc/79/40/14/752794014.db2.gz RGKXICXXZLPNBG-IAGOWNOFSA-N 2 0 315.417 0.546 20 30 DCEDRP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001045444411 753196781 /nfs/dbraw/zinc/19/67/81/753196781.db2.gz MUXPEXFWYNGVMV-HZPDHXFCSA-N 2 0 319.449 0.844 20 30 DCEDRP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CN(C)CCO1)C2 ZINC001045925806 753372436 /nfs/dbraw/zinc/37/24/36/753372436.db2.gz UWROTZNWDQNHCF-WMZOPIPTSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001046064486 753458184 /nfs/dbraw/zinc/45/81/84/753458184.db2.gz OHQUCMKJEBXJAM-SJORKVTESA-N 2 0 318.465 0.180 20 30 DCEDRP C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046082549 753472307 /nfs/dbraw/zinc/47/23/07/753472307.db2.gz UFBZNGVHUTYSLW-QGZVFWFLSA-N 2 0 320.481 0.877 20 30 DCEDRP CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046326560 753646326 /nfs/dbraw/zinc/64/63/26/753646326.db2.gz QZFYFWRHMNEBPN-KRWDZBQOSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+]([C@@H](C)COC)C2)CC1 ZINC001046849058 753977650 /nfs/dbraw/zinc/97/76/50/753977650.db2.gz AHWJBKFRVZWERV-MAUKXSAKSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C[C@H]2C1 ZINC001048818228 754958826 /nfs/dbraw/zinc/95/88/26/754958826.db2.gz GKTQDWMEMHPGHQ-MWDXBVQZSA-N 2 0 301.434 0.884 20 30 DCEDRP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833952 754967964 /nfs/dbraw/zinc/96/79/64/754967964.db2.gz WBIRQEZWVQUZPH-YYIAUSFCSA-N 2 0 317.433 0.263 20 30 DCEDRP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048834131 754968055 /nfs/dbraw/zinc/96/80/55/754968055.db2.gz ZVCOMEPLZCFEFL-QKPAOTATSA-N 2 0 305.422 0.426 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCO)C2)CC1 ZINC001072095016 762352148 /nfs/dbraw/zinc/35/21/48/762352148.db2.gz DZJDDCHFCOTPED-GOEBONIOSA-N 2 0 307.438 0.293 20 30 DCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049216157 755187401 /nfs/dbraw/zinc/18/74/01/755187401.db2.gz VUHBRDIZNCEPPI-YESZJQIVSA-N 2 0 319.449 0.368 20 30 DCEDRP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN(C)CCO1 ZINC001049391475 755247979 /nfs/dbraw/zinc/24/79/79/755247979.db2.gz LSTWLAKMLLXAMA-OAGGEKHMSA-N 2 0 307.438 0.958 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCO)CC2)CC1 ZINC001052953706 755884248 /nfs/dbraw/zinc/88/42/48/755884248.db2.gz GNDGHZIUCRMLLL-INIZCTEOSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001080998364 756417809 /nfs/dbraw/zinc/41/78/09/756417809.db2.gz ZDHPCMOBZZCPPX-NVXWUHKLSA-N 2 0 301.434 0.791 20 30 DCEDRP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001050048258 757306271 /nfs/dbraw/zinc/30/62/71/757306271.db2.gz NCDMVNLPEPJCFE-YESZJQIVSA-N 2 0 301.434 0.884 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083861 757483410 /nfs/dbraw/zinc/48/34/10/757483410.db2.gz PESLXPTVPROLTJ-YESZJQIVSA-N 2 0 319.449 0.816 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CCO)C[C@H]32)CC1 ZINC001050208140 757488938 /nfs/dbraw/zinc/48/89/38/757488938.db2.gz CHWJHNBDTDRQGP-DLBZAZTESA-N 2 0 319.449 0.247 20 30 DCEDRP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001083183170 757561083 /nfs/dbraw/zinc/56/10/83/757561083.db2.gz RARNFHNWHJYYKA-JKSUJKDBSA-N 2 0 307.438 0.816 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001086145548 759761940 /nfs/dbraw/zinc/76/19/40/759761940.db2.gz VNICBPAENHQTSO-OKILXGFUSA-N 2 0 309.373 0.999 20 30 DCEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001086373070 760110126 /nfs/dbraw/zinc/11/01/26/760110126.db2.gz KCDLGSACGPBMPV-KLHDSHLOSA-N 2 0 307.438 0.910 20 30 DCEDRP C#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001070400525 761213005 /nfs/dbraw/zinc/21/30/05/761213005.db2.gz ZZECDKVDFHPQQN-HIFRSBDPSA-N 2 0 315.421 0.543 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148748581 768035583 /nfs/dbraw/zinc/03/55/83/768035583.db2.gz VBPGQZXQRQPAKU-OAHLLOKOSA-N 2 0 305.422 0.122 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)C[C@H](C)O2 ZINC001098662960 762706372 /nfs/dbraw/zinc/70/63/72/762706372.db2.gz RETOSUDHKGICQY-JKSUJKDBSA-N 2 0 319.449 0.653 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC[NH2+]CCOCC(F)F ZINC001129770556 763007306 /nfs/dbraw/zinc/00/73/06/763007306.db2.gz IQBXILCPKRQFGQ-LBPRGKRZSA-N 2 0 303.353 0.072 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC[NH2+]Cc1c(C)noc1C ZINC001129770431 763007338 /nfs/dbraw/zinc/00/73/38/763007338.db2.gz GHKTXWVSCXXHNQ-HNNXBMFYSA-N 2 0 304.394 0.595 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001086984595 768110119 /nfs/dbraw/zinc/11/01/19/768110119.db2.gz UEZOUVAQNCPIBI-ARFHVFGLSA-N 2 0 319.453 0.830 20 30 DCEDRP C=CCCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100073961 763282033 /nfs/dbraw/zinc/28/20/33/763282033.db2.gz IBZXWBIHJKELQM-LSDHHAIUSA-N 2 0 307.438 0.600 20 30 DCEDRP C=CCCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100073959 763282911 /nfs/dbraw/zinc/28/29/11/763282911.db2.gz IBZXWBIHJKELQM-GJZGRUSLSA-N 2 0 307.438 0.600 20 30 DCEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074272 763283977 /nfs/dbraw/zinc/28/39/77/763283977.db2.gz KUCMSFXJBIXGFW-GJZGRUSLSA-N 2 0 313.442 0.082 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001100447202 763584102 /nfs/dbraw/zinc/58/41/02/763584102.db2.gz SEIRLQDGKKOHEO-UYSNPLJNSA-N 2 0 307.438 0.605 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001100476473 763601655 /nfs/dbraw/zinc/60/16/55/763601655.db2.gz PXQIILMOQYXCNH-UHFFFAOYSA-N 2 0 319.449 0.749 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001100617225 763683890 /nfs/dbraw/zinc/68/38/90/763683890.db2.gz JGIAKECQMZHHSC-UHFFFAOYSA-N 2 0 307.438 0.462 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001100678181 763719093 /nfs/dbraw/zinc/71/90/93/763719093.db2.gz BXAFBMMHTVTUFJ-NFOMZHRRSA-N 2 0 322.453 0.115 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460759 764103119 /nfs/dbraw/zinc/10/31/19/764103119.db2.gz WCEUWKRGAHVFGY-JZXOWHBKSA-N 2 0 319.449 0.368 20 30 DCEDRP C=CC[NH+](CCO)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001098478759 764333601 /nfs/dbraw/zinc/33/36/01/764333601.db2.gz CJAIKGOHQRQGPT-HNNXBMFYSA-N 2 0 309.454 0.942 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102070602 764515254 /nfs/dbraw/zinc/51/52/54/764515254.db2.gz PDEBNBCCIGZELE-ZACQAIPSSA-N 2 0 323.481 0.907 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102091024 764522940 /nfs/dbraw/zinc/52/29/40/764522940.db2.gz OETZHRGHIKNOHO-BRWVUGGUSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001098479287 764524018 /nfs/dbraw/zinc/52/40/18/764524018.db2.gz ZPCBKEZHKYWBQW-HOCLYGCPSA-N 2 0 309.454 0.655 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112009679 765448984 /nfs/dbraw/zinc/44/89/84/765448984.db2.gz OULRTKVCIUKVCQ-WMZOPIPTSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001115118970 765595950 /nfs/dbraw/zinc/59/59/50/765595950.db2.gz OUQQKQABOYTLIU-AIANPOQGSA-N 2 0 307.438 0.577 20 30 DCEDRP COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135391205 765913326 /nfs/dbraw/zinc/91/33/26/765913326.db2.gz RDQSIFOOEGBKBX-CABCVRRESA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135882172 766149788 /nfs/dbraw/zinc/14/97/88/766149788.db2.gz IOZIOUYAPYABQJ-KBPBESRZSA-N 2 0 312.458 0.503 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135992783 766199900 /nfs/dbraw/zinc/19/99/00/766199900.db2.gz VELKQRXDQNBZMU-LSDHHAIUSA-N 2 0 324.469 0.341 20 30 DCEDRP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090572643 766327320 /nfs/dbraw/zinc/32/73/20/766327320.db2.gz HIZXXIRDAUKOHS-HUUCEWRRSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC)C[C@@H]2O)CC1 ZINC001090830877 766649379 /nfs/dbraw/zinc/64/93/79/766649379.db2.gz QDYQWSVSYNJVDP-HOTGVXAUSA-N 2 0 307.438 0.293 20 30 DCEDRP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099880057 767481727 /nfs/dbraw/zinc/48/17/27/767481727.db2.gz URGORNUFDKUORS-HOTGVXAUSA-N 2 0 309.454 0.988 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001147724279 767832087 /nfs/dbraw/zinc/83/20/87/767832087.db2.gz KBYOGXNTRGPVMU-UHFFFAOYSA-N 2 0 319.449 0.655 20 30 DCEDRP C=CCn1cc(C[N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)cn1 ZINC001139772612 768490839 /nfs/dbraw/zinc/49/08/39/768490839.db2.gz MMOFZABVKXOXBY-UHFFFAOYSA-N 2 0 305.426 0.665 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2C)CC1 ZINC001093223947 768502007 /nfs/dbraw/zinc/50/20/07/768502007.db2.gz JWNLVFSBBSESLO-GDBMZVCRSA-N 2 0 307.438 0.008 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150596038 769134567 /nfs/dbraw/zinc/13/45/67/769134567.db2.gz HBTFNDMABVGLPC-HOTGVXAUSA-N 2 0 307.438 0.559 20 30 DCEDRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001151049713 769245040 /nfs/dbraw/zinc/24/50/40/769245040.db2.gz WXUHLYDRZBTOMY-CQSZACIVSA-N 2 0 304.369 0.855 20 30 DCEDRP CC#CC[NH+]1CCC(CCOC)(NC(=O)CC[NH+](C)C)CC1 ZINC001151307686 769308896 /nfs/dbraw/zinc/30/88/96/769308896.db2.gz CIBFNHGUTZVMBJ-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP N#Cc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1F ZINC001236309427 769991824 /nfs/dbraw/zinc/99/18/24/769991824.db2.gz NVAKGKDVPJGNJT-UHFFFAOYSA-N 2 0 321.400 0.313 20 30 DCEDRP C=C(Br)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176072386 770012250 /nfs/dbraw/zinc/01/22/50/770012250.db2.gz RTDXAUBDUBTNIT-NSHDSACASA-N 2 0 304.232 0.943 20 30 DCEDRP N#Cc1ccccc1S(=O)(=O)NCCC[NH2+]CCCC[NH3+] ZINC001238880230 770141426 /nfs/dbraw/zinc/14/14/26/770141426.db2.gz YYEJOEXIZIROJR-UHFFFAOYSA-N 2 0 310.423 0.555 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176884378 770208989 /nfs/dbraw/zinc/20/89/89/770208989.db2.gz FAMDHYKJQQFAOL-OAHLLOKOSA-N 2 0 324.469 0.649 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C[C@H]2CCCOC2)CC1 ZINC001176926825 770227508 /nfs/dbraw/zinc/22/75/08/770227508.db2.gz WPFHUAFSTRFVLZ-MRXNPFEDSA-N 2 0 321.465 0.854 20 30 DCEDRP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226696 770439239 /nfs/dbraw/zinc/43/92/39/770439239.db2.gz NMKGWIAQUYQLEM-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001178902326 770899220 /nfs/dbraw/zinc/89/92/20/770899220.db2.gz LLLNROLDKQKBCC-ZFWWWQNUSA-N 2 0 322.453 0.352 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCCCCNC(=O)CC[NH+](C)C ZINC001179461706 771009126 /nfs/dbraw/zinc/00/91/26/771009126.db2.gz XSRJUVBPOXJXGF-UHFFFAOYSA-N 2 0 312.458 0.507 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCOCC)[C@@H]2C)CC1 ZINC001180204441 771073798 /nfs/dbraw/zinc/07/37/98/771073798.db2.gz RZNQTERDUAJFEV-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001183249647 771628711 /nfs/dbraw/zinc/62/87/11/771628711.db2.gz QHAWFWIKCFDRMM-WBVHZDCISA-N 2 0 319.449 0.844 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185265638 771894753 /nfs/dbraw/zinc/89/47/53/771894753.db2.gz ROLNANWFUPEDMR-ZIAGYGMSSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185454687 771917351 /nfs/dbraw/zinc/91/73/51/771917351.db2.gz BTQYMFRNMUFMQK-RBSFLKMASA-N 2 0 324.469 0.454 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001185501642 771923349 /nfs/dbraw/zinc/92/33/49/771923349.db2.gz HVFSBOMKTHTDJE-JKSUJKDBSA-N 2 0 309.454 0.662 20 30 DCEDRP C#CCC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159868544 771971068 /nfs/dbraw/zinc/97/10/68/771971068.db2.gz GERDUCZCYBJHER-MRXNPFEDSA-N 2 0 307.438 0.749 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC12CCOCC2 ZINC001186481362 772044662 /nfs/dbraw/zinc/04/46/62/772044662.db2.gz NNVZMFMITMIEAO-OAHLLOKOSA-N 2 0 307.438 0.416 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160870520 772129542 /nfs/dbraw/zinc/12/95/42/772129542.db2.gz YQMREYXPVGYBGS-CVEARBPZSA-N 2 0 307.438 0.749 20 30 DCEDRP CN(C(=O)[C@@H]1C[C@@H](Cc2ccccc2C#N)C[NH2+]1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161220552 772186343 /nfs/dbraw/zinc/18/63/43/772186343.db2.gz CXMVJTHYIKBVQX-JGRFCZEVSA-N 2 0 324.428 0.755 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCOCC)C2)CC1 ZINC001188092255 772264648 /nfs/dbraw/zinc/26/46/48/772264648.db2.gz SZTCMURMMIWTAP-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190195274 772604560 /nfs/dbraw/zinc/60/45/60/772604560.db2.gz DBEUIXRTWXHNPB-SJORKVTESA-N 2 0 319.449 0.511 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190195271 772604758 /nfs/dbraw/zinc/60/47/58/772604758.db2.gz DBEUIXRTWXHNPB-DLBZAZTESA-N 2 0 319.449 0.511 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001166743991 772855170 /nfs/dbraw/zinc/85/51/70/772855170.db2.gz BYGLFJWNCYOYGR-CQSZACIVSA-N 2 0 324.469 0.505 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001192342909 772907491 /nfs/dbraw/zinc/90/74/91/772907491.db2.gz LPKWGBABHPGPMF-CVEARBPZSA-N 2 0 307.438 0.653 20 30 DCEDRP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)COCC[NH+](C)C)C12CCC2 ZINC001203615182 772915922 /nfs/dbraw/zinc/91/59/22/772915922.db2.gz NVTCQIVBIGNOSA-CABCVRRESA-N 2 0 307.438 0.605 20 30 DCEDRP C#CC[NH2+]CC1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)CC1 ZINC001206319744 773066228 /nfs/dbraw/zinc/06/62/28/773066228.db2.gz LTOYTLQZCYNFIU-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+]CC1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001206548508 773087129 /nfs/dbraw/zinc/08/71/29/773087129.db2.gz QFTXRJUUIYBZPU-UHFFFAOYSA-N 2 0 317.437 0.520 20 30 DCEDRP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001193902428 773127062 /nfs/dbraw/zinc/12/70/62/773127062.db2.gz RPKKJIIVYMUBGM-BZUAXINKSA-N 2 0 309.454 0.988 20 30 DCEDRP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194298935 773171873 /nfs/dbraw/zinc/17/18/73/773171873.db2.gz NSAQILSLPCTOJJ-HZPDHXFCSA-N 2 0 318.421 0.645 20 30 DCEDRP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207550793 773235274 /nfs/dbraw/zinc/23/52/74/773235274.db2.gz JNADRDRVSYVXOM-FVQBIDKESA-N 2 0 309.454 0.966 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070684 773394904 /nfs/dbraw/zinc/39/49/04/773394904.db2.gz QBMFWNDNRITHQK-QLFBSQMISA-N 2 0 322.453 0.209 20 30 DCEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001208640018 773509808 /nfs/dbraw/zinc/50/98/08/773509808.db2.gz XLLVPNMBZWLEJF-BNQMIIOLSA-N 2 0 317.433 0.454 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209314020 773590112 /nfs/dbraw/zinc/59/01/12/773590112.db2.gz GNAUFACYNUYGQZ-HUUCEWRRSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cn(C)nc2C)CC1 ZINC001152334674 773740591 /nfs/dbraw/zinc/74/05/91/773740591.db2.gz NEXCRGPWAYEKGE-UHFFFAOYSA-N 2 0 317.437 0.280 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210812398 773741828 /nfs/dbraw/zinc/74/18/28/773741828.db2.gz ZHIGZKDFGIIPER-CABCVRRESA-N 2 0 324.469 0.600 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001210865624 773746316 /nfs/dbraw/zinc/74/63/16/773746316.db2.gz YCOMJSURICMQSW-AEFFLSMTSA-N 2 0 319.449 0.703 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CCCOC)C2)CC1 ZINC001211234101 773784073 /nfs/dbraw/zinc/78/40/73/773784073.db2.gz UHZFLSYJFNTTKK-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]C[C@H](C)OC)C2)CC1 ZINC001211233954 773784205 /nfs/dbraw/zinc/78/42/05/773784205.db2.gz RSVRLAXLPBRLPQ-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCOCC[N@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197832024 773803211 /nfs/dbraw/zinc/80/32/11/773803211.db2.gz HDNLAHNNCPLCCR-UHFFFAOYSA-N 2 0 313.442 0.302 20 30 DCEDRP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199128050 774032699 /nfs/dbraw/zinc/03/26/99/774032699.db2.gz MWVCSTFYBWLCNM-OAGGEKHMSA-N 2 0 309.454 0.844 20 30 DCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215539999 774081712 /nfs/dbraw/zinc/08/17/12/774081712.db2.gz GERCFTFSUKVHOW-ARFHVFGLSA-N 2 0 309.454 0.967 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001215993873 774097023 /nfs/dbraw/zinc/09/70/23/774097023.db2.gz GHUSWRMVYFJIOD-ZIAGYGMSSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550862 774244286 /nfs/dbraw/zinc/24/42/86/774244286.db2.gz QLFIBLPGOUPFRS-LSDHHAIUSA-N 2 0 305.422 0.263 20 30 DCEDRP N#Cc1c(NC(=O)[C@@]23C[NH2+][C@@H](CO2)C3)sc2c1CC[NH2+]C2 ZINC001218552186 774244937 /nfs/dbraw/zinc/24/49/37/774244937.db2.gz CNAWVYFJOPVUOM-XLKFXECMSA-N 2 0 304.375 0.335 20 30 DCEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC001218552870 774245981 /nfs/dbraw/zinc/24/59/81/774245981.db2.gz LEQLGPCTUUSNME-LBPRGKRZSA-N 3 0 321.450 0.921 20 30 DCEDRP N#Cc1c(NC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)sc2c1CC[NH2+]C2 ZINC001218552684 774246322 /nfs/dbraw/zinc/24/63/22/774246322.db2.gz JGGYKAUONCKHRR-VFZGTOFNSA-N 2 0 317.418 0.155 20 30 DCEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cc(C#N)c(C#N)cc1N ZINC001218988072 774341352 /nfs/dbraw/zinc/34/13/52/774341352.db2.gz VSPAOTXTMONVRD-ZDUSSCGKSA-N 2 0 300.366 0.668 20 30 DCEDRP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001219032014 774351550 /nfs/dbraw/zinc/35/15/50/774351550.db2.gz MRJZWJPIWSRLDH-OWCLPIDISA-N 2 0 307.438 0.816 20 30 DCEDRP COc1cc(C#N)c(F)cc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219107315 774372993 /nfs/dbraw/zinc/37/29/93/774372993.db2.gz BJCCQWDYESCHBV-JTQLQIEISA-N 2 0 304.325 0.453 20 30 DCEDRP C#CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001200658322 774392509 /nfs/dbraw/zinc/39/25/09/774392509.db2.gz KQKXXXAADIKWFR-JKSUJKDBSA-N 2 0 305.422 0.454 20 30 DCEDRP COCC#CC[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001201053024 774445403 /nfs/dbraw/zinc/44/54/03/774445403.db2.gz IZFXXHNKCFYONI-INIZCTEOSA-N 2 0 307.438 0.557 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CCCO1 ZINC001201405071 774502213 /nfs/dbraw/zinc/50/22/13/774502213.db2.gz ZUYVKXQKCXOLOJ-HOTGVXAUSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCCO1 ZINC001201419926 774507208 /nfs/dbraw/zinc/50/72/08/774507208.db2.gz HZDIDRMARRAROB-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201870837 774569953 /nfs/dbraw/zinc/56/99/53/774569953.db2.gz CCDHYVLXDPTQAO-HNNXBMFYSA-N 2 0 307.438 0.865 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCCO1 ZINC001202133611 774605191 /nfs/dbraw/zinc/60/51/91/774605191.db2.gz HDPVSMUMGPFDEB-MRXNPFEDSA-N 2 0 307.438 0.703 20 30 DCEDRP C#CC[C@]1(C(=O)NCC[C@H]2C[NH2+]Cc3cccn3C2)CCC[NH2+]1 ZINC001219787575 774607667 /nfs/dbraw/zinc/60/76/67/774607667.db2.gz GYMPRKDNEKLJLE-MAUKXSAKSA-N 2 0 314.433 0.859 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078376 774689531 /nfs/dbraw/zinc/68/95/31/774689531.db2.gz NOCNLYGIXYHAJL-CABCVRRESA-N 2 0 307.438 0.436 20 30 DCEDRP C#CC[C@]1(C(=O)NC[C@@H]2CC[NH2+][C@H]2c2cccnc2)CCC[NH2+]1 ZINC001220788443 774915488 /nfs/dbraw/zinc/91/54/88/774915488.db2.gz DUPJKPOJCGGYBU-XYJFISCASA-N 2 0 312.417 0.994 20 30 DCEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)N[C@H](C2CCC2)C2C[NH2+]C2)c1 ZINC001221411956 775092773 /nfs/dbraw/zinc/09/27/73/775092773.db2.gz ZWLKPUCLILKVMJ-DLBZAZTESA-N 2 0 312.417 0.932 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001226332841 775801263 /nfs/dbraw/zinc/80/12/63/775801263.db2.gz BGUMROIGUAVMII-QBPKDAKJSA-N 2 0 321.465 0.993 20 30 DCEDRP COCC#CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001228852174 776129989 /nfs/dbraw/zinc/12/99/89/776129989.db2.gz BNXOFMGUOHQLAY-HOTGVXAUSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001114840464 776222601 /nfs/dbraw/zinc/22/26/01/776222601.db2.gz LGSMZRPEOCJLJU-QLPKVWCKSA-N 2 0 321.465 0.967 20 30 DCEDRP C#CCNC(=O)C[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCCC1 ZINC001282618675 939101127 /nfs/dbraw/zinc/10/11/27/939101127.db2.gz ADCCYMIWCQPDAA-UHFFFAOYSA-N 2 0 322.453 0.096 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266465372 939126406 /nfs/dbraw/zinc/12/64/06/939126406.db2.gz UWXPIDQISDQZKB-OWCLPIDISA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001266601591 939175993 /nfs/dbraw/zinc/17/59/93/939175993.db2.gz HFWBCCNXPNQAPU-VQHPVUNQSA-N 2 0 319.449 0.890 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001266854444 939255307 /nfs/dbraw/zinc/25/53/07/939255307.db2.gz OSXCFJYDWRCJEU-UHFFFAOYSA-N 2 0 310.442 0.069 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001267110757 939347429 /nfs/dbraw/zinc/34/74/29/939347429.db2.gz ICHSJSGPNMVIIT-GJZGRUSLSA-N 2 0 324.469 0.552 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]CC#CCOC)C2)CC[N@@H+]1C ZINC001279235293 939396433 /nfs/dbraw/zinc/39/64/33/939396433.db2.gz BDULLJBLGNTZDE-SJJHQCBESA-N 2 0 321.465 0.946 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CC(N)=O)C(C)C)CC1 ZINC001267340593 939428400 /nfs/dbraw/zinc/42/84/00/939428400.db2.gz NURJDPMDVBFNQC-UHFFFAOYSA-N 2 0 322.453 0.034 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)CCOC)C2)CC1 ZINC001267595662 939537103 /nfs/dbraw/zinc/53/71/03/939537103.db2.gz JYEJGMKLDQXJBY-INIZCTEOSA-N 2 0 321.465 0.758 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001481099416 939560089 /nfs/dbraw/zinc/56/00/89/939560089.db2.gz FCWHSGRCQFLIBM-INIZCTEOSA-N 2 0 319.449 0.703 20 30 DCEDRP C=CCOCC[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001481109528 939563653 /nfs/dbraw/zinc/56/36/53/939563653.db2.gz RGJKNGPXFMWLDH-OAHLLOKOSA-N 2 0 309.454 0.969 20 30 DCEDRP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC#CCOC ZINC001267805600 939686454 /nfs/dbraw/zinc/68/64/54/939686454.db2.gz QZBSOOVHMKPMHV-JKSUJKDBSA-N 2 0 309.454 0.993 20 30 DCEDRP C=CCCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001481473774 939887896 /nfs/dbraw/zinc/88/78/96/939887896.db2.gz HGPXVRLBIIYAQY-QGZVFWFLSA-N 2 0 322.497 0.980 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001268068349 939923424 /nfs/dbraw/zinc/92/34/24/939923424.db2.gz LJPKWOGCHMMSMX-KBPBESRZSA-N 2 0 324.469 0.598 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268094429 939944274 /nfs/dbraw/zinc/94/42/74/939944274.db2.gz OHFBSCRKFRLMSI-KGLIPLIRSA-N 2 0 310.442 0.067 20 30 DCEDRP COCC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268116713 939950767 /nfs/dbraw/zinc/95/07/67/939950767.db2.gz TWUVEKCKAQJIQI-HOTGVXAUSA-N 2 0 309.454 0.708 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC#CCOC)[C@H](C)C1 ZINC001268141678 939957587 /nfs/dbraw/zinc/95/75/87/939957587.db2.gz MPXLVNPLRHBJAT-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001268364131 940082340 /nfs/dbraw/zinc/08/23/40/940082340.db2.gz BELNJBOGABJHQA-GJZGRUSLSA-N 2 0 322.453 0.093 20 30 DCEDRP COCC#CC[NH2+]C/C=C/CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001268553816 940231635 /nfs/dbraw/zinc/23/16/35/940231635.db2.gz YIBZEPSXVCNAHQ-CWDCEQMOSA-N 2 0 307.438 0.773 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+]C[C@H]2CCOC2)CC1 ZINC001268630512 940308454 /nfs/dbraw/zinc/30/84/54/940308454.db2.gz LYEAWYLIYSDVND-QDLOVBKTSA-N 2 0 319.449 0.630 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001482235406 940747020 /nfs/dbraw/zinc/74/70/20/940747020.db2.gz DUJSFWSXQZFQPS-INIZCTEOSA-N 2 0 321.465 0.997 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001270258899 940866996 /nfs/dbraw/zinc/86/69/96/940866996.db2.gz HOZSFIIXLBRVGB-HZPDHXFCSA-N 2 0 309.454 0.803 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001482675540 941619192 /nfs/dbraw/zinc/61/91/92/941619192.db2.gz DPWVGKNQNFZRJU-GJZGRUSLSA-N 2 0 317.437 0.566 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001203214725 942489833 /nfs/dbraw/zinc/48/98/33/942489833.db2.gz NVXWOGVFAGMOBD-AWEZNQCLSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCOCC1 ZINC001484182474 943178555 /nfs/dbraw/zinc/17/85/55/943178555.db2.gz XJVRNHPOCNIXHP-HNNXBMFYSA-N 2 0 307.438 0.769 20 30 DCEDRP C=C(C)C[NH+]1CC[C@](O)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001484224004 943218047 /nfs/dbraw/zinc/21/80/47/943218047.db2.gz PXSOIPXZPSPRNZ-WBVHZDCISA-N 2 0 309.454 0.990 20 30 DCEDRP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001484236466 943239543 /nfs/dbraw/zinc/23/95/43/943239543.db2.gz PNDRJVLDKSQBPJ-WMZOPIPTSA-N 2 0 321.465 0.685 20 30 DCEDRP C=CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001484240249 943244215 /nfs/dbraw/zinc/24/42/15/943244215.db2.gz AHFKFQPYYCLMRN-DOTOQJQBSA-N 2 0 309.454 0.988 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001484573615 943455300 /nfs/dbraw/zinc/45/53/00/943455300.db2.gz UPEVDYBLLVWYNT-ULQDDVLXSA-N 2 0 321.465 0.853 20 30 DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001484856105 943601466 /nfs/dbraw/zinc/60/14/66/943601466.db2.gz NYPQSYOFOUGSIQ-AEFFLSMTSA-N 2 0 321.465 0.827 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001484887163 943613620 /nfs/dbraw/zinc/61/36/20/943613620.db2.gz FVRPHPNKRCFUMN-ZBFHGGJFSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001485021114 943660118 /nfs/dbraw/zinc/66/01/18/943660118.db2.gz ZYGMQMLTUUNJHO-JKSUJKDBSA-N 2 0 319.449 0.580 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001490953659 943686347 /nfs/dbraw/zinc/68/63/47/943686347.db2.gz BGJNLNGTXOIMGR-VGWMRTNUSA-N 2 0 307.438 0.746 20 30 DCEDRP COCC#CC[NH2+]CC1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001485106109 943700368 /nfs/dbraw/zinc/70/03/68/943700368.db2.gz SMEAODJGYSPJQZ-UHFFFAOYSA-N 2 0 321.465 0.853 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001491549007 944114489 /nfs/dbraw/zinc/11/44/89/944114489.db2.gz UOPMGKVLRDBOKJ-HUUCEWRRSA-N 2 0 324.469 0.600 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001485814175 944161456 /nfs/dbraw/zinc/16/14/56/944161456.db2.gz QCRQDJNSXAZBJA-QGZVFWFLSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001272772023 944220990 /nfs/dbraw/zinc/22/09/90/944220990.db2.gz CHGPOWVLDWNCJO-CVEARBPZSA-N 2 0 309.454 0.993 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)C[N@@H+](C)CCC)CC2 ZINC001276928156 944596843 /nfs/dbraw/zinc/59/68/43/944596843.db2.gz JPELCEPULKYXNG-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001317005086 944734951 /nfs/dbraw/zinc/73/49/51/944734951.db2.gz DWYBNIUYGUBVLF-JKSUJKDBSA-N 2 0 319.449 0.559 20 30 DCEDRP COCC#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001486509401 944944769 /nfs/dbraw/zinc/94/47/69/944944769.db2.gz RTORORQXEPUNIQ-KRWDZBQOSA-N 2 0 319.449 0.869 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001317416294 944961442 /nfs/dbraw/zinc/96/14/42/944961442.db2.gz TWBQWVHXCDWLPF-HUUCEWRRSA-N 2 0 322.453 0.095 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]Cc2cnon2)CC1 ZINC001317415691 944963883 /nfs/dbraw/zinc/96/38/83/944963883.db2.gz MTXIHQPMKDDQEA-CYBMUJFWSA-N 2 0 319.409 0.399 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001319124930 945502791 /nfs/dbraw/zinc/50/27/91/945502791.db2.gz ZXDHROAOTIENHC-ZIAGYGMSSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001319526792 945611413 /nfs/dbraw/zinc/61/14/13/945611413.db2.gz ZBSBVSZAESKOKT-KBPBESRZSA-N 2 0 324.469 0.455 20 30 DCEDRP CC#CCN(CCNC(=O)[C@@H]1CCCC[N@H+]1CC)CCOC ZINC001279056376 946774970 /nfs/dbraw/zinc/77/49/70/946774970.db2.gz ZVVUSNQBFNDXER-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001323530724 947117929 /nfs/dbraw/zinc/11/79/29/947117929.db2.gz PTEKVSTXJQEURY-ZDUSSCGKSA-N 2 0 322.453 0.257 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001411059447 947284777 /nfs/dbraw/zinc/28/47/77/947284777.db2.gz MFLYZNTXDQFYQP-QWHCGFSZSA-N 2 0 303.834 0.632 20 30 DCEDRP N#CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001261501528 947320497 /nfs/dbraw/zinc/32/04/97/947320497.db2.gz DPADCEGOULXRBH-LSDHHAIUSA-N 2 0 308.426 0.767 20 30 DCEDRP C=C[C@@H](COC)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001261982822 947519178 /nfs/dbraw/zinc/51/91/78/947519178.db2.gz KKJLGKHIDQPGDE-KFWWJZLASA-N 2 0 312.458 0.568 20 30 DCEDRP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001325102617 947654277 /nfs/dbraw/zinc/65/42/77/947654277.db2.gz RQSTVYHVJWOOGS-ZBFHGGJFSA-N 2 0 313.417 0.243 20 30 DCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC001179692884 947888191 /nfs/dbraw/zinc/88/81/91/947888191.db2.gz VGLBJORZACWYRU-HOCLYGCPSA-N 2 0 317.437 0.661 20 30 DCEDRP C=CCOCC[N@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001325771929 947919323 /nfs/dbraw/zinc/91/93/23/947919323.db2.gz FXZDVYTYPXVPLO-IYBDPMFKSA-N 2 0 319.449 0.675 20 30 DCEDRP C[NH+](C)C1(C(=O)NCC[NH+]2CCC(NCC#N)CC2)CCC1 ZINC001325794574 947925910 /nfs/dbraw/zinc/92/59/10/947925910.db2.gz QMUGDEZIBQYARG-UHFFFAOYSA-N 2 0 307.442 0.164 20 30 DCEDRP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCCN1CC[NH+](C)CC1 ZINC001273728313 948051298 /nfs/dbraw/zinc/05/12/98/948051298.db2.gz LZZLYTKBUGCEDV-IAGOWNOFSA-N 2 0 318.465 0.322 20 30 DCEDRP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001326436356 948163343 /nfs/dbraw/zinc/16/33/43/948163343.db2.gz CLJOLSQHEJFPAW-INIZCTEOSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001493129325 948611118 /nfs/dbraw/zinc/61/11/18/948611118.db2.gz AJBRRQKBNRQWII-HUUCEWRRSA-N 2 0 322.453 0.306 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCOC)[C@@H]2C)CC1 ZINC001264733575 949097698 /nfs/dbraw/zinc/09/76/98/949097698.db2.gz HXLIXQQSTSSSLQ-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001265323226 949605505 /nfs/dbraw/zinc/60/55/05/949605505.db2.gz FZCLUQLYORHUCI-JKSUJKDBSA-N 2 0 319.449 0.701 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[N@H+](C)CCO)CC1 ZINC001489333796 949732156 /nfs/dbraw/zinc/73/21/56/949732156.db2.gz VIRXJMBKCLKIAS-KRWDZBQOSA-N 2 0 321.465 0.637 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001265630870 949823974 /nfs/dbraw/zinc/82/39/74/949823974.db2.gz ROUDMCJOTHOWLE-GJZGRUSLSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001265977178 950219704 /nfs/dbraw/zinc/21/97/04/950219704.db2.gz VLTLMCSFEYFOCA-DOTOQJQBSA-N 2 0 321.465 0.969 20 30 DCEDRP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001265977179 950223257 /nfs/dbraw/zinc/22/32/57/950223257.db2.gz VLTLMCSFEYFOCA-NVXWUHKLSA-N 2 0 321.465 0.969 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001330686507 950587706 /nfs/dbraw/zinc/58/77/06/950587706.db2.gz LZLSPRSEARLGRP-JYJNAYRXSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001279508867 950609700 /nfs/dbraw/zinc/60/97/00/950609700.db2.gz HALIHUUEXRZDOG-DOTOQJQBSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001490469760 950709452 /nfs/dbraw/zinc/70/94/52/950709452.db2.gz IXNLEAGAKKVBJJ-INIZCTEOSA-N 2 0 306.454 0.228 20 30 DCEDRP C=CCNC(=O)CN1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001332199441 951517780 /nfs/dbraw/zinc/51/77/80/951517780.db2.gz PGTNPMPASXDONZ-ZIAGYGMSSA-N 2 0 310.442 0.209 20 30 DCEDRP C=C[C@](C)(O)C[N@H+]1CCC[C@]12CCN(Cc1cncn1C)C2=O ZINC001274617276 951744958 /nfs/dbraw/zinc/74/49/58/951744958.db2.gz WTVOQKLPRAZDPP-DLBZAZTESA-N 2 0 318.421 0.924 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001274720624 951805746 /nfs/dbraw/zinc/80/57/46/951805746.db2.gz ZSWNFUMCLMNUON-JKSUJKDBSA-N 2 0 309.454 0.993 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCc1ccnn1C ZINC001274791816 951838775 /nfs/dbraw/zinc/83/87/75/951838775.db2.gz RBPRJDNABLZNIR-ZBFHGGJFSA-N 2 0 317.437 0.155 20 30 DCEDRP CC#CC[NH+]1CCC(CO)(NC(=O)CCCC[NH+](C)C)CC1 ZINC001274936813 951902299 /nfs/dbraw/zinc/90/22/99/951902299.db2.gz RCRJTVFUMRUSCL-UHFFFAOYSA-N 2 0 309.454 0.685 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CC[C@@H]2CCCO2)CC1 ZINC001275039662 951940326 /nfs/dbraw/zinc/94/03/26/951940326.db2.gz WCSJGDFZTUJIRR-WBVHZDCISA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001341541943 953236856 /nfs/dbraw/zinc/23/68/56/953236856.db2.gz ZYINODXZIUFWNY-FQUUOJAGSA-N 2 0 322.409 0.064 20 30 DCEDRP CC#CC[N@H+](C)[C@@H](C)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001282392042 953566869 /nfs/dbraw/zinc/56/68/69/953566869.db2.gz UIEHDNWHDDSOTA-AWEZNQCLSA-N 2 0 305.426 0.518 20 30 DCEDRP C#CCC[N@H+]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001282834324 953689259 /nfs/dbraw/zinc/68/92/59/953689259.db2.gz UZKIUPDPYPEOLZ-INIZCTEOSA-N 2 0 321.465 0.947 20 30 DCEDRP Cn1cc([C@@H]2CN(C(=O)[C@H]([NH3+])CCCCC#N)C[C@H]2[NH3+])cn1 ZINC001346493258 953902040 /nfs/dbraw/zinc/90/20/40/953902040.db2.gz PLZZHCIYOVRXDA-BFHYXJOUSA-N 2 0 304.398 0.084 20 30 DCEDRP CC#CC[NH2+][C@H](CO)CNC(=O)c1sccc1C[NH+](C)C ZINC001283765864 954590810 /nfs/dbraw/zinc/59/08/10/954590810.db2.gz WWOYYXPJVMULTL-ZDUSSCGKSA-N 2 0 309.435 0.513 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001284466577 955114569 /nfs/dbraw/zinc/11/45/69/955114569.db2.gz DMZCXMSMWXFVAD-INIZCTEOSA-N 2 0 309.454 0.685 20 30 DCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001358104110 957424955 /nfs/dbraw/zinc/42/49/55/957424955.db2.gz SEYQGJBVNVCBJO-OWCLPIDISA-N 3 0 319.453 0.435 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]C[C@H]2CCOC2)CC1 ZINC001491682053 959042682 /nfs/dbraw/zinc/04/26/82/959042682.db2.gz IGHUXNIESQPPSL-HUUCEWRRSA-N 2 0 307.438 0.462 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCO1 ZINC001368506414 959954848 /nfs/dbraw/zinc/95/48/48/959954848.db2.gz FFYHCLMWFIZKRD-STQMWFEESA-N 2 0 303.834 0.896 20 30 DCEDRP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001369159906 964468292 /nfs/dbraw/zinc/46/82/92/964468292.db2.gz YDRYMWODFMCJKC-QWHCGFSZSA-N 2 0 303.834 0.896 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC001448894198 1014087742 /nfs/dbraw/zinc/08/77/42/1014087742.db2.gz WZWPPOADMXUSOW-OAHLLOKOSA-N 2 0 304.394 0.077 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC(N3CC[NH+](CC)CC3)C2)CC1 ZINC001529095540 1014494982 /nfs/dbraw/zinc/49/49/82/1014494982.db2.gz UADVLRFCAPOYHO-UHFFFAOYSA-N 2 0 318.465 0.180 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001502571082 1015976668 /nfs/dbraw/zinc/97/66/68/1015976668.db2.gz XWHCNUYOPOIHDH-WBVHZDCISA-N 2 0 307.438 0.437 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001502571080 1015977054 /nfs/dbraw/zinc/97/70/54/1015977054.db2.gz XWHCNUYOPOIHDH-NVXWUHKLSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH2+]CCCO)CC2)CC1 ZINC001502811289 1016081079 /nfs/dbraw/zinc/08/10/79/1016081079.db2.gz RAHLZTMZKKJRKA-UHFFFAOYSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC#CC)[C@H]2C)CC1 ZINC001507300303 1016231520 /nfs/dbraw/zinc/23/15/20/1016231520.db2.gz ZMSOEDPBGWUZEJ-WBVHZDCISA-N 2 0 301.434 0.934 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001505446593 1016247947 /nfs/dbraw/zinc/24/79/47/1016247947.db2.gz OKMSDINVZQZTCP-SJORKVTESA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001505443549 1016248003 /nfs/dbraw/zinc/24/80/03/1016248003.db2.gz LZHVDJOHWPGXBL-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001508178231 1016686509 /nfs/dbraw/zinc/68/65/09/1016686509.db2.gz KMYWTJFWXPGSDD-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP CC#CC[N@H+]1CC=C(CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001508224705 1016720844 /nfs/dbraw/zinc/72/08/44/1016720844.db2.gz INMXUZVCXJAWPS-UHFFFAOYSA-N 2 0 319.449 0.869 20 30 DCEDRP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CN(CC)CCO1 ZINC001474190938 1017009365 /nfs/dbraw/zinc/00/93/65/1017009365.db2.gz PJOAPQDODJIDMB-IKGGRYGDSA-N 2 0 319.449 0.796 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001521490673 1017388268 /nfs/dbraw/zinc/38/82/68/1017388268.db2.gz UIOUZCOIAUCALH-HZPDHXFCSA-N 2 0 324.469 0.193 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C2(CNC(=O)C[NH+]3CCCC3)CC2)C1=O ZINC001499447912 1017932290 /nfs/dbraw/zinc/93/22/90/1017932290.db2.gz ARGQYMZUSWFLGE-CQSZACIVSA-N 2 0 320.437 0.108 20 30 DCEDRP CC#CC[NH2+]CC[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001497189397 1017956262 /nfs/dbraw/zinc/95/62/62/1017956262.db2.gz WNFGASGIQXXSLQ-AWEZNQCLSA-N 2 0 305.426 0.566 20 30 DCEDRP C=CCCC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001479928268 1017991011 /nfs/dbraw/zinc/99/10/11/1017991011.db2.gz KCEISHOBWBTKHS-MRXNPFEDSA-N 2 0 308.470 0.781 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001499920654 1018134651 /nfs/dbraw/zinc/13/46/51/1018134651.db2.gz IQDVVFKKSHTMLQ-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001500018696 1018174433 /nfs/dbraw/zinc/17/44/33/1018174433.db2.gz NAIDNLLEZUKNIC-CVEARBPZSA-N 2 0 321.465 0.947 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CC#CCOC)C1CC1 ZINC001480064836 1018175786 /nfs/dbraw/zinc/17/57/86/1018175786.db2.gz DDPDANJFYDOHFH-SJORKVTESA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@@H](C)COC)C2)CC1 ZINC001480122050 1018221496 /nfs/dbraw/zinc/22/14/96/1018221496.db2.gz IOGFALWQSLTDPI-HOCLYGCPSA-N 2 0 307.438 0.557 20 30 DCEDRP CC#CC[NH2+]C/C=C\CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001497610484 1018271929 /nfs/dbraw/zinc/27/19/29/1018271929.db2.gz JIBZNKWQRXRPJQ-SREVYHEPSA-N 2 0 307.438 0.630 20 30 DCEDRP CC#CC[NH2+]C1CCC(NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001480411972 1018505332 /nfs/dbraw/zinc/50/53/32/1018505332.db2.gz XQMHNWJRYLNRKY-KLAILNCOSA-N 2 0 321.465 0.995 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001497985993 1018560036 /nfs/dbraw/zinc/56/00/36/1018560036.db2.gz BNDWAKCNIAMJCQ-DGCLKSJQSA-N 2 0 303.834 0.802 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001500695181 1018585102 /nfs/dbraw/zinc/58/51/02/1018585102.db2.gz HDNYGPNLCAQNDT-FUHWJXTLSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001500715203 1018606322 /nfs/dbraw/zinc/60/63/22/1018606322.db2.gz TVFHFZPWESPKEW-RDJZCZTQSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001480784056 1018906664 /nfs/dbraw/zinc/90/66/64/1018906664.db2.gz QMJRBTMQWBQPNB-CQSZACIVSA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001496206345 1019163486 /nfs/dbraw/zinc/16/34/86/1019163486.db2.gz IIJFEPNLEXXLNL-ZIAGYGMSSA-N 2 0 322.453 0.209 20 30 DCEDRP C=CC[NH2+]C1(CNC(=O)c2ccn(CC[NH+](C)C)n2)CCC1 ZINC001501952578 1019583998 /nfs/dbraw/zinc/58/39/98/1019583998.db2.gz SCAOUFWOVLSQBO-UHFFFAOYSA-N 2 0 305.426 0.873 20 30 DCEDRP [NH2+]=C(NCC[NH+]1CCCCC1)N1CCN(c2ncccn2)CC1 ZINC000264109158 238191210 /nfs/dbraw/zinc/19/12/10/238191210.db2.gz OITKXQUBCFYLQG-UHFFFAOYSA-N 2 0 317.441 0.399 20 30 DCEDRP C[NH+](C)CCOc1ccc(CCNC(=[NH2+])N2CCOCC2)cc1 ZINC000264299339 238194789 /nfs/dbraw/zinc/19/47/89/238194789.db2.gz RJESHNZHYBNDPB-UHFFFAOYSA-N 2 0 320.437 0.816 20 30 DCEDRP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N1CCc2ccccc21 ZINC000088637788 395708114 /nfs/dbraw/zinc/70/81/14/395708114.db2.gz WBOAMMVRZMZIOZ-HNNXBMFYSA-N 2 0 301.438 0.870 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000073436484 396145855 /nfs/dbraw/zinc/14/58/55/396145855.db2.gz XRAIOLRGEIHNHG-AWEZNQCLSA-N 2 0 322.453 0.163 20 30 DCEDRP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958966 415320278 /nfs/dbraw/zinc/32/02/78/415320278.db2.gz LYVPSOQMFCUSMS-OAHLLOKOSA-N 2 0 322.453 0.791 20 30 DCEDRP C#C[C@@H](C)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000275148665 415371225 /nfs/dbraw/zinc/37/12/25/415371225.db2.gz YGPMOOCVSWEHFK-OAHLLOKOSA-N 2 0 315.421 0.915 20 30 DCEDRP C[N@H+](CCOc1cccc(CNC(N)=[NH2+])c1)C1CCOCC1 ZINC000103338718 415616590 /nfs/dbraw/zinc/61/65/90/415616590.db2.gz POOIRROKMAPOEO-UHFFFAOYSA-N 2 0 306.410 0.950 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000343745505 415709618 /nfs/dbraw/zinc/70/96/18/415709618.db2.gz ZUGZJNBZBLIYFG-HNNXBMFYSA-N 2 0 322.453 0.354 20 30 DCEDRP O[C@@H]1CC[C@@H]2C[NH+](CC#CC[N@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)C[C@@H]12 ZINC000341913415 416251007 /nfs/dbraw/zinc/25/10/07/416251007.db2.gz RYYXXIMSYZKXOB-HVKXIDHRSA-N 2 0 304.434 0.395 20 30 DCEDRP CCc1nc(C#N)cc(N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000596123041 416577957 /nfs/dbraw/zinc/57/79/57/416577957.db2.gz LZCKIQOWBZRCRR-CYBMUJFWSA-N 2 0 314.437 1.491 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H](COC)CC2)CC1 ZINC000491750679 416624155 /nfs/dbraw/zinc/62/41/55/416624155.db2.gz WXKGRLZDEZOLKO-MRXNPFEDSA-N 2 0 307.438 0.512 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000491802321 416631208 /nfs/dbraw/zinc/63/12/08/416631208.db2.gz GCODBYOEJWMBNC-HZPDHXFCSA-N 2 0 321.465 0.493 20 30 DCEDRP C=CC[C@]1(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CCC[NH2+]1 ZINC000638496245 417475948 /nfs/dbraw/zinc/47/59/48/417475948.db2.gz REWOWGSMBCKYLJ-XJKSGUPXSA-N 2 0 308.426 0.141 20 30 DCEDRP C=CC[C@@]1(C(=O)N(C)CCCN2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662792166 417905344 /nfs/dbraw/zinc/90/53/44/417905344.db2.gz ZRSIHIOTYQCKNV-KRWDZBQOSA-N 2 0 308.470 0.781 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000419724862 277775020 /nfs/dbraw/zinc/77/50/20/277775020.db2.gz HQNZOKSUAKUINX-OAHLLOKOSA-N 2 0 324.469 0.633 20 30 DCEDRP C#CC[NH+](C)CCCNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000491327987 333023311 /nfs/dbraw/zinc/02/33/11/333023311.db2.gz ZNNGJLGFVZNSKO-IYBDPMFKSA-N 2 0 324.469 0.740 20 30 DCEDRP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000329793139 336082405 /nfs/dbraw/zinc/08/24/05/336082405.db2.gz AUKLVDQGFZQDDI-CABCVRRESA-N 2 0 323.485 0.610 20 30 DCEDRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)CN(C)CCC#N)CCCO1 ZINC000583079772 337236755 /nfs/dbraw/zinc/23/67/55/337236755.db2.gz KYFRUQHMTGBKAE-HZPDHXFCSA-N 2 0 312.458 0.283 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000433401683 338194736 /nfs/dbraw/zinc/19/47/36/338194736.db2.gz UGWSBJRPOITVQJ-CQSZACIVSA-N 2 0 318.425 0.583 20 30 DCEDRP C[NH+](C)CCCN1C(=O)C[C@@H]([NH+]2CCC(CC#N)CC2)C1=O ZINC000542835801 341022747 /nfs/dbraw/zinc/02/27/47/341022747.db2.gz UQZDJVXDWLJQJT-CQSZACIVSA-N 2 0 306.410 0.691 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001570089972 1161420561 /nfs/dbraw/zinc/42/05/61/1161420561.db2.gz BNJPWYAUXRHIFN-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP C[C@H]1C[NH+]=C(NCc2ccc(CNC3=[NH+]C[C@H](C)N3)cc2)N1 ZINC000262669223 533989599 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C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001023448945 657874859 /nfs/dbraw/zinc/87/48/59/657874859.db2.gz BVYCIYAFGNAYOD-HUUCEWRRSA-N 2 0 300.406 0.907 20 30 DCEDRP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001023500425 657935970 /nfs/dbraw/zinc/93/59/70/657935970.db2.gz UFGVSOAWMZSXCI-VUGNNNGISA-N 2 0 319.449 0.864 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](CC#C)C2)CC1 ZINC001023761650 658216805 /nfs/dbraw/zinc/21/68/05/658216805.db2.gz FZRQZNRNCZHTQW-MRXNPFEDSA-N 2 0 301.434 0.793 20 30 DCEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001027498518 659627436 /nfs/dbraw/zinc/62/74/36/659627436.db2.gz HMHMFKAGGZHLFN-LPMVOBIJSA-N 2 0 317.433 0.406 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H](C)COC)CC1 ZINC001028333551 661462514 /nfs/dbraw/zinc/46/25/14/661462514.db2.gz NZDHDVNOKDATOJ-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC#CC)CC1 ZINC001028333763 661463827 /nfs/dbraw/zinc/46/38/27/661463827.db2.gz QQZUGOOYPJAZIW-QGZVFWFLSA-N 2 0 301.434 0.936 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001028592884 661662698 /nfs/dbraw/zinc/66/26/98/661662698.db2.gz UUELVYVSHFJKBS-RDJZCZTQSA-N 2 0 319.449 0.701 20 30 DCEDRP C#CCC[N@H+]1CCCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000983047240 661745861 /nfs/dbraw/zinc/74/58/61/661745861.db2.gz NKSUJMRCBPUVBI-UHFFFAOYSA-N 2 0 307.438 0.655 20 30 DCEDRP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698226 661764843 /nfs/dbraw/zinc/76/48/43/661764843.db2.gz DLHAUUHKUYBMRE-CTMQZQKCSA-N 2 0 319.449 0.864 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000895056050 662054267 /nfs/dbraw/zinc/05/42/67/662054267.db2.gz AXJABSZNSYNDTF-CVEARBPZSA-N 2 0 322.453 0.182 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC([N@H+](C)CCO)CC2)CC1 ZINC000985803754 662515229 /nfs/dbraw/zinc/51/52/29/662515229.db2.gz JKASIINRDZYLIT-UHFFFAOYSA-N 2 0 307.438 0.247 20 30 DCEDRP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000988853901 662868082 /nfs/dbraw/zinc/86/80/82/662868082.db2.gz HTILOIHPJLBBOZ-ZIAGYGMSSA-N 2 0 303.410 0.271 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000913518925 664337827 /nfs/dbraw/zinc/33/78/27/664337827.db2.gz GYMPNPDEFMVDAZ-UHFFFAOYSA-N 2 0 307.438 0.703 20 30 DCEDRP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000992855097 664780272 /nfs/dbraw/zinc/78/02/72/664780272.db2.gz HXSBGLWRJQXYIM-ARFHVFGLSA-N 2 0 301.434 0.932 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC#C)[C@@H]2C)CC1 ZINC000994493645 665116471 /nfs/dbraw/zinc/11/64/71/665116471.db2.gz FBBMESHJLVZQCW-WBVHZDCISA-N 2 0 301.434 0.934 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000941461066 666000222 /nfs/dbraw/zinc/00/02/22/666000222.db2.gz XMORTIXVXMDCKE-KRWDZBQOSA-N 2 0 320.481 0.875 20 30 DCEDRP CC#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001002875633 666238246 /nfs/dbraw/zinc/23/82/46/666238246.db2.gz ONBKXDCSGZBVCG-CVEARBPZSA-N 2 0 305.422 0.454 20 30 DCEDRP CC#CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001002875639 666238282 /nfs/dbraw/zinc/23/82/82/666238282.db2.gz ONBKXDCSGZBVCG-JKSUJKDBSA-N 2 0 305.422 0.454 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2C)CC1 ZINC000945178668 666577353 /nfs/dbraw/zinc/57/73/53/666577353.db2.gz FZORXFCTOSIUQL-WBVHZDCISA-N 2 0 321.465 0.541 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](C[C@H](C)O)C2)CC1 ZINC001034044710 666906296 /nfs/dbraw/zinc/90/62/96/666906296.db2.gz DMWWKTDOASENOX-DOTOQJQBSA-N 2 0 321.465 0.635 20 30 DCEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H]2COCCN2CCCC)CC1 ZINC000996859524 666956106 /nfs/dbraw/zinc/95/61/06/666956106.db2.gz TZAWEZZKZIXOLP-INIZCTEOSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034318693 666988076 /nfs/dbraw/zinc/98/80/76/666988076.db2.gz DVUPJXKXMJTKHE-NDUQDZPOSA-N 2 0 317.433 0.454 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CCCO)C2)CC1 ZINC001034538505 667065051 /nfs/dbraw/zinc/06/50/51/667065051.db2.gz NTXYVLKLUQIODJ-KRWDZBQOSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(CCC)CCO2)CC1 ZINC001035614004 667392883 /nfs/dbraw/zinc/39/28/83/667392883.db2.gz MJHLBLCOYZRCMY-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCOC(=O)[C@@H](N)CC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000884227514 667504684 /nfs/dbraw/zinc/50/46/84/667504684.db2.gz RHDRWBWVXWIMCG-KBPBESRZSA-N 2 0 311.426 0.766 20 30 DCEDRP COC(=O)[C@@H](c1ccc(C#N)cc1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923459497 667535941 /nfs/dbraw/zinc/53/59/41/667535941.db2.gz CTOIHLNMURLPAU-OAHLLOKOSA-N 2 0 302.378 0.267 20 30 DCEDRP C[NH+](C)CCOc1cc(CNC(=[NH2+])N2CCSCC2)ccn1 ZINC000134551086 667546223 /nfs/dbraw/zinc/54/62/23/667546223.db2.gz WEEQTWWJUTWGAD-UHFFFAOYSA-N 2 0 323.466 0.886 20 30 DCEDRP C#CC[N@@H+]1CCC[C@H](Nc2ccnc(N3CCOCC3)n2)C1 ZINC000884612103 667575749 /nfs/dbraw/zinc/57/57/49/667575749.db2.gz DAVAQEPIGAARRV-AWEZNQCLSA-N 2 0 301.394 0.823 20 30 DCEDRP C[NH+]=C(NCCN1CCOCC1)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000104168302 667963918 /nfs/dbraw/zinc/96/39/18/667963918.db2.gz LAAVBVAXLPVZSP-HNNXBMFYSA-N 2 0 311.474 0.216 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)Nc1cccnc1 ZINC000104183665 667964205 /nfs/dbraw/zinc/96/42/05/667964205.db2.gz KVIRFJQXLNAQGT-ZDUSSCGKSA-N 2 0 304.398 0.409 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000876772377 668507192 /nfs/dbraw/zinc/50/71/92/668507192.db2.gz BNVQBXWBOJBYRI-OLZOCXBDSA-N 2 0 301.818 0.637 20 30 DCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000876919968 668536124 /nfs/dbraw/zinc/53/61/24/668536124.db2.gz BYPSVDKDFFPRHN-ZBFHGGJFSA-N 2 0 314.389 0.321 20 30 DCEDRP C#CC[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000775400227 668861889 /nfs/dbraw/zinc/86/18/89/668861889.db2.gz XRCYHLRBDLJNQD-ROUUACIJSA-N 2 0 301.434 0.949 20 30 DCEDRP C#C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H]1CCCO1 ZINC000776226787 668873337 /nfs/dbraw/zinc/87/33/37/668873337.db2.gz USCCICBVWSQHHR-HUUCEWRRSA-N 2 0 310.442 0.302 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCO)[C@H](C)C2)CC1 ZINC000948070766 670053419 /nfs/dbraw/zinc/05/34/19/670053419.db2.gz SFFMKLLTUPOQPZ-NVXWUHKLSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H](C1CC1)[NH+](C)C)CCO2 ZINC000949115269 670262343 /nfs/dbraw/zinc/26/23/43/670262343.db2.gz XRYMEHAANPDTND-MRXNPFEDSA-N 2 0 319.449 0.653 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNc1ccc(C#N)cn1 ZINC000848991411 670745989 /nfs/dbraw/zinc/74/59/89/670745989.db2.gz CWVDWXJYRAGIRA-CQSZACIVSA-N 2 0 315.425 0.963 20 30 DCEDRP C[NH+]=C(NCCN1CCOCC1)NCC[N@@H+]1CCCC1(C)C ZINC000849039416 670753789 /nfs/dbraw/zinc/75/37/89/670753789.db2.gz XOCGFHSUKSUFSL-UHFFFAOYSA-N 2 0 311.474 0.358 20 30 DCEDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000832281077 671713007 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DCEDRP C=C(C)CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374028 687596890 /nfs/dbraw/zinc/59/68/90/687596890.db2.gz LGZKCWMCRJEREZ-CVEARBPZSA-N 2 0 309.454 0.703 20 30 DCEDRP C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958554947 687741466 /nfs/dbraw/zinc/74/14/66/687741466.db2.gz JFIIJSZAHRFVNJ-CVEARBPZSA-N 2 0 307.438 0.149 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958590970 687779873 /nfs/dbraw/zinc/77/98/73/687779873.db2.gz DIQCANDZFZJGNR-CABCVRRESA-N 2 0 307.438 0.457 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](C(C)C)C[C@@H]2O)CC1 ZINC000958722874 687875305 /nfs/dbraw/zinc/87/53/05/687875305.db2.gz ARMGPMYGEYUSMZ-CVEARBPZSA-N 2 0 307.438 0.149 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCCC)C[C@H]2O)CC1 ZINC000958724576 687876267 /nfs/dbraw/zinc/87/62/67/687876267.db2.gz QHCZXVXILMLHGD-IAGOWNOFSA-N 2 0 321.465 0.541 20 30 DCEDRP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760441 694661157 /nfs/dbraw/zinc/66/11/57/694661157.db2.gz AXFUFTNHMLDLLJ-HZPDHXFCSA-N 2 0 319.449 0.960 20 30 DCEDRP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC001072760440 694661260 /nfs/dbraw/zinc/66/12/60/694661260.db2.gz AXFUFTNHMLDLLJ-HOTGVXAUSA-N 2 0 319.449 0.960 20 30 DCEDRP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001073605551 694750533 /nfs/dbraw/zinc/75/05/33/694750533.db2.gz NILMAHSFAAFNLN-IXDOHACOSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001570415042 1162507896 /nfs/dbraw/zinc/50/78/96/1162507896.db2.gz MSNJPVGSUSCTCF-UHFFFAOYSA-N 2 0 319.449 0.439 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001571490182 1162780381 /nfs/dbraw/zinc/78/03/81/1162780381.db2.gz ANTULCNDMVIUDD-KBPBESRZSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001571582396 1162826785 /nfs/dbraw/zinc/82/67/85/1162826785.db2.gz FSFFLNZNCGESNI-HNNXBMFYSA-N 2 0 307.438 0.295 20 30 DCEDRP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001571595108 1162838062 /nfs/dbraw/zinc/83/80/62/1162838062.db2.gz QACKGDUNIIGPGL-RDJZCZTQSA-N 2 0 309.454 0.847 20 30 DCEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001670557618 1157461879 /nfs/dbraw/zinc/46/18/79/1157461879.db2.gz VRALWBGCCBOYAM-GOEBONIOSA-N 2 0 307.438 0.462 20 30 DCEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001670557621 1157462022 /nfs/dbraw/zinc/46/20/22/1157462022.db2.gz VRALWBGCCBOYAM-ZBFHGGJFSA-N 2 0 307.438 0.462 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001691149482 1157596392 /nfs/dbraw/zinc/59/63/92/1157596392.db2.gz RGYUGGYYYHDJGO-SHTZXODSSA-N 2 0 307.438 0.605 20 30 DCEDRP COCC#CC[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001571664641 1162883717 /nfs/dbraw/zinc/88/37/17/1162883717.db2.gz PNOKVWGKCBNDGQ-FHERZECASA-N 2 0 307.438 0.557 20 30 DCEDRP C=C(Br)C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001439040971 1159278595 /nfs/dbraw/zinc/27/85/95/1159278595.db2.gz FQJVXYFRZUBWFG-NSHDSACASA-N 2 0 320.231 0.058 20 30 DCEDRP CC[C@@H]1[C@@H](NC(=O)CCn2ccnc2)CC[N@@H+]1CC#CCOC ZINC001566018661 1159945569 /nfs/dbraw/zinc/94/55/69/1159945569.db2.gz KFXGNQKHCITQRJ-JKSUJKDBSA-N 2 0 318.421 0.892 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001566724385 1160137526 /nfs/dbraw/zinc/13/75/26/1160137526.db2.gz HQLVFRBVSWCMCE-HOCLYGCPSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]C[C@@H]2CCCCO2)CC1 ZINC001567611452 1160440242 /nfs/dbraw/zinc/44/02/42/1160440242.db2.gz HLEATKVKALPDLX-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CC[NH+]1CCN(CCN(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001567720932 1160465024 /nfs/dbraw/zinc/46/50/24/1160465024.db2.gz ONZRLJAWILXHBO-UHFFFAOYSA-N 2 0 306.454 0.344 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001568998918 1160913950 /nfs/dbraw/zinc/91/39/50/1160913950.db2.gz BPONXQUWDYBBHT-CQSZACIVSA-N 2 0 322.453 0.259 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001569432079 1161059003 /nfs/dbraw/zinc/05/90/03/1161059003.db2.gz MCICEHRJJHPYAG-MRXNPFEDSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH2+]CCN(CCO)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001569956566 1161351829 /nfs/dbraw/zinc/35/18/29/1161351829.db2.gz DZMBCOVNMFSRHB-UHFFFAOYSA-N 2 0 303.406 0.406 20 30 DCEDRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC001575962562 1164194604 /nfs/dbraw/zinc/19/46/04/1164194604.db2.gz UKIAHGSPLZBLHV-CABCVRRESA-N 2 0 309.458 0.540 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001580044003 1165484741 /nfs/dbraw/zinc/48/47/41/1165484741.db2.gz VEKFEZUBJVZVET-KFWWJZLASA-N 2 0 305.426 0.662 20 30 DCEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC001591012583 1167078481 /nfs/dbraw/zinc/07/84/81/1167078481.db2.gz WZTOILZBZNNXTM-CQSZACIVSA-N 2 0 300.366 0.055 20 30 DCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1Cc3ccccc3[C@H]1[NH3+])C2 ZINC001646813705 1172546419 /nfs/dbraw/zinc/54/64/19/1172546419.db2.gz LIABZRZFJIOGPP-LUVUVAIMSA-N 2 0 310.401 0.867 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC#CCOC)C1 ZINC001656201153 1173851470 /nfs/dbraw/zinc/85/14/70/1173851470.db2.gz QRERSSIHNHGMLZ-BRWVUGGUSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001656368893 1173858891 /nfs/dbraw/zinc/85/88/91/1173858891.db2.gz BBTRUEGIFPCSQO-GVDBMIGSSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[N@H+](CC)CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001660545621 1174007325 /nfs/dbraw/zinc/00/73/25/1174007325.db2.gz CXUCVKLNBORTRQ-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001661995220 1174173984 /nfs/dbraw/zinc/17/39/84/1174173984.db2.gz DZACZSSBGGAYEL-CABCVRRESA-N 2 0 324.469 0.457 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001662919408 1174251484 /nfs/dbraw/zinc/25/14/84/1174251484.db2.gz UOAVZKKDUCBQBG-GJZGRUSLSA-N 2 0 322.453 0.093 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001663498429 1174310568 /nfs/dbraw/zinc/31/05/68/1174310568.db2.gz SFZYNQSFAUHZMY-IAGOWNOFSA-N 2 0 319.449 0.559 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001664853192 1174465603 /nfs/dbraw/zinc/46/56/03/1174465603.db2.gz GXVVXCCRZCBBLZ-HZPDHXFCSA-N 2 0 307.438 0.368 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCOC)[C@@H](C)C2)CC1 ZINC001667216355 1174668986 /nfs/dbraw/zinc/66/89/86/1174668986.db2.gz GUSPBXCOUAFQIO-DOTOQJQBSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CC[N@H+]1CC[C@](O)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001672034030 1175066462 /nfs/dbraw/zinc/06/64/62/1175066462.db2.gz AGUVQVVWXUVVDY-SFHVURJKSA-N 2 0 321.465 0.847 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001672529257 1175123506 /nfs/dbraw/zinc/12/35/06/1175123506.db2.gz BXYVZVXEMQVOHZ-HZPDHXFCSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]C[C@@H](C)OC)CCC2)CC1 ZINC001673242024 1175179558 /nfs/dbraw/zinc/17/95/58/1175179558.db2.gz MGBXJNFTZXOVRH-OAHLLOKOSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001673709570 1175226567 /nfs/dbraw/zinc/22/65/67/1175226567.db2.gz SNDKUIJFOJZLBJ-DOTOQJQBSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001674074974 1175250369 /nfs/dbraw/zinc/25/03/69/1175250369.db2.gz DICWQTHJFIHLKG-UHFFFAOYSA-N 2 0 321.465 0.827 20 30 DCEDRP N#CCN1CC[NH+](CCCCCNC(=O)C[NH+]2CCCC2)CC1 ZINC001674289934 1175265477 /nfs/dbraw/zinc/26/54/77/1175265477.db2.gz DPZRXCWPAUTHFM-UHFFFAOYSA-N 2 0 321.469 0.510 20 30 DCEDRP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001675598862 1175377303 /nfs/dbraw/zinc/37/73/03/1175377303.db2.gz JYDVPHGQNHFUOR-CABCVRRESA-N 2 0 305.422 0.454 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001676267310 1175432622 /nfs/dbraw/zinc/43/26/22/1175432622.db2.gz BQYSMFJOHIWZSJ-RDJZCZTQSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001676560104 1175461346 /nfs/dbraw/zinc/46/13/46/1175461346.db2.gz OMSLGBGNXADGAC-OAHLLOKOSA-N 2 0 309.454 0.589 20 30 DCEDRP C=CCC[NH2+][C@H](CO)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001676584216 1175463842 /nfs/dbraw/zinc/46/38/42/1175463842.db2.gz QZWPLKLBEIOKHM-XJKSGUPXSA-N 2 0 315.433 0.842 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCOC)C[C@H]2C)CC1 ZINC001676784611 1175489489 /nfs/dbraw/zinc/48/94/89/1175489489.db2.gz XZLOJYQGNFGFDB-GDBMZVCRSA-N 2 0 307.438 0.557 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CC#CCOC)C1 ZINC001676966413 1175507640 /nfs/dbraw/zinc/50/76/40/1175507640.db2.gz XVSKYZSUMGPNCS-HOTGVXAUSA-N 2 0 309.454 0.853 20 30 DCEDRP CC#CC[NH2+]CCOCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001677496910 1175569925 /nfs/dbraw/zinc/56/99/25/1175569925.db2.gz HECNPFRPWHYLIH-UHFFFAOYSA-N 2 0 307.438 0.703 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001689325432 1176825776 /nfs/dbraw/zinc/82/57/76/1176825776.db2.gz QLMAVCXJEUWXCE-ZBFHGGJFSA-N 2 0 307.438 0.700 20 30 DCEDRP C=CCN1CC[NH+](CCCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001690064193 1177158177 /nfs/dbraw/zinc/15/81/77/1177158177.db2.gz DUUIOLLXXZDVCS-MRXNPFEDSA-N 2 0 308.470 0.638 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001690159100 1177182327 /nfs/dbraw/zinc/18/23/27/1177182327.db2.gz UFHHQWKXXOYSOC-HOTGVXAUSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]C[C@H](C)O)C2CC2)CC1 ZINC001690180823 1177188406 /nfs/dbraw/zinc/18/84/06/1177188406.db2.gz WJCABYJKCIRPON-XJKSGUPXSA-N 2 0 307.438 0.197 20 30 DCEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001690276611 1177204057 /nfs/dbraw/zinc/20/40/57/1177204057.db2.gz JUVUQSFJYOBOGZ-HDJSIYSDSA-N 2 0 303.410 0.318 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]CC#CCOC)C1 ZINC001690429455 1177241356 /nfs/dbraw/zinc/24/13/56/1177241356.db2.gz PPUFEGMNGOYZJW-MRXNPFEDSA-N 2 0 309.454 0.806 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001690806320 1177329150 /nfs/dbraw/zinc/32/91/50/1177329150.db2.gz ZPDQVQSTHCMXSZ-HOTGVXAUSA-N 2 0 307.438 0.653 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001691926609 1177385447 /nfs/dbraw/zinc/38/54/47/1177385447.db2.gz YZIXGPKBVVHJJX-MRXNPFEDSA-N 2 0 307.438 0.560 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001698732222 1177623568 /nfs/dbraw/zinc/62/35/68/1177623568.db2.gz VWTCUDWMZNXWHA-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001699316714 1178061904 /nfs/dbraw/zinc/06/19/04/1178061904.db2.gz UWJYWFWCAGSZBA-JQBWTISXSA-N 2 0 319.449 0.915 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001699898496 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ZINC001083214886 747230685 /nfs/dbraw/zinc/23/06/85/747230685.db2.gz VQHSXXCHPQWTBL-DLBZAZTESA-N 2 0 319.449 0.653 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001167608847 747426220 /nfs/dbraw/zinc/42/62/20/747426220.db2.gz JHTNOBZYZQEIFS-OAHLLOKOSA-N 2 0 324.469 0.649 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001167626551 747436641 /nfs/dbraw/zinc/43/66/41/747436641.db2.gz DCLUGJTXURICJP-INIZCTEOSA-N 2 0 309.454 0.995 20 30 DCEDRP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083275276 747680140 /nfs/dbraw/zinc/68/01/40/747680140.db2.gz WLAXLVCOJLKXQT-HRCADAONSA-N 2 0 307.438 0.816 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105010451 748003162 /nfs/dbraw/zinc/00/31/62/748003162.db2.gz MDMLMBHCHGMRQO-BRWVUGGUSA-N 2 0 321.465 0.662 20 30 DCEDRP C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105320702 748130742 /nfs/dbraw/zinc/13/07/42/748130742.db2.gz GPXDBOMBMJUVFL-UHFFFAOYSA-N 2 0 320.441 0.669 20 30 DCEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088153732 749260914 /nfs/dbraw/zinc/26/09/14/749260914.db2.gz IFRGWRNCOOOBOW-CVEARBPZSA-N 2 0 319.449 0.511 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(CC)CCO3)C[C@@H]2C1 ZINC001088208065 749289866 /nfs/dbraw/zinc/28/98/66/749289866.db2.gz JVIKLLCUWVHSAT-IXDOHACOSA-N 2 0 319.449 0.511 20 30 DCEDRP COCC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001168136995 749473252 /nfs/dbraw/zinc/47/32/52/749473252.db2.gz KNHLXNTYYGVXIM-OAHLLOKOSA-N 2 0 307.438 0.464 20 30 DCEDRP C=CCCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001112867884 761984089 /nfs/dbraw/zinc/98/40/89/761984089.db2.gz CKKFLLXQOXTOKU-JKSUJKDBSA-N 2 0 307.438 0.960 20 30 DCEDRP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105657774 749953712 /nfs/dbraw/zinc/95/37/12/749953712.db2.gz ATEOGLVFUJLQNU-LMSBXDPUSA-N 2 0 321.465 0.537 20 30 DCEDRP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001120449965 750648576 /nfs/dbraw/zinc/64/85/76/750648576.db2.gz QSLYPAVWFCWZRO-IRXDYDNUSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H](C)OC)[C@@H]2C)CC1 ZINC001089059334 750781946 /nfs/dbraw/zinc/78/19/46/750781946.db2.gz IOGBOZAGTGLXID-UXLLHSPISA-N 2 0 321.465 0.946 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC001044772576 752865183 /nfs/dbraw/zinc/86/51/83/752865183.db2.gz WKNYNFGVSGHMOH-HOCLYGCPSA-N 2 0 317.437 0.661 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]([NH2+]CCO)C23CCC3)CC1 ZINC001078819684 753393280 /nfs/dbraw/zinc/39/32/80/753393280.db2.gz RCOHEXQCDCRMAC-JKSUJKDBSA-N 2 0 319.449 0.341 20 30 DCEDRP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001046037880 753440691 /nfs/dbraw/zinc/44/06/91/753440691.db2.gz BDINGJIJVOGLMT-DLBZAZTESA-N 2 0 320.481 0.568 20 30 DCEDRP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001046062110 753456250 /nfs/dbraw/zinc/45/62/50/753456250.db2.gz BDINGJIJVOGLMT-SJORKVTESA-N 2 0 320.481 0.568 20 30 DCEDRP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046500712 753752546 /nfs/dbraw/zinc/75/25/46/753752546.db2.gz DAJOZJSIYNNGNZ-BYLPVYNFSA-N 2 0 305.422 0.616 20 30 DCEDRP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001047380882 754228027 /nfs/dbraw/zinc/22/80/27/754228027.db2.gz ZKFSQKJAOPMCSC-PMPSAXMXSA-N 2 0 309.454 0.939 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCC[N@H+]2CCC)C1=O ZINC001128782640 754278840 /nfs/dbraw/zinc/27/88/40/754278840.db2.gz ADIWEILVURAKNJ-HUUCEWRRSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)C[NH+]2CCCC2)(COC)CC1 ZINC001162604418 754473316 /nfs/dbraw/zinc/47/33/16/754473316.db2.gz RQLAWZMEZFWWJF-UHFFFAOYSA-N 2 0 307.438 0.560 20 30 DCEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001090353256 755655643 /nfs/dbraw/zinc/65/56/43/755655643.db2.gz ABSHPIGZWDMRRA-CVEARBPZSA-N 2 0 319.449 0.437 20 30 DCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080161092 756118157 /nfs/dbraw/zinc/11/81/57/756118157.db2.gz MCYQJGVAHRJBMZ-MYPHYYIGSA-N 2 0 317.433 0.309 20 30 DCEDRP C=CC[NH2+][C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001054797363 756642658 /nfs/dbraw/zinc/64/26/58/756642658.db2.gz FXDJLJJGHQZDSH-CABCVRRESA-N 2 0 309.454 0.967 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090392452 757356698 /nfs/dbraw/zinc/35/66/98/757356698.db2.gz SORKAECRWLZTBF-HUUCEWRRSA-N 2 0 307.438 0.742 20 30 DCEDRP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](CC#C)CC3)[C@@H]2C1 ZINC001050207512 757488975 /nfs/dbraw/zinc/48/89/75/757488975.db2.gz UAOSHNPFUHBSKP-ZWKOTPCHSA-N 2 0 313.445 0.888 20 30 DCEDRP C#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001098369080 758794305 /nfs/dbraw/zinc/79/43/05/758794305.db2.gz RDBQQHBZBLLZDY-KRWDZBQOSA-N 2 0 321.465 0.778 20 30 DCEDRP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001052081948 759165426 /nfs/dbraw/zinc/16/54/26/759165426.db2.gz GTOXMWKPXKSFGE-SJORKVTESA-N 2 0 320.481 0.568 20 30 DCEDRP C[NH+](C)CCOCC(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001147848210 767860602 /nfs/dbraw/zinc/86/06/02/767860602.db2.gz IMDCEPQQCNKXNZ-UHFFFAOYSA-N 2 0 322.384 0.481 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001052571525 759501173 /nfs/dbraw/zinc/50/11/73/759501173.db2.gz GWJAPHDUADYYRS-NDUQDZPOSA-N 2 0 317.433 0.454 20 30 DCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001155313725 759739696 /nfs/dbraw/zinc/73/96/96/759739696.db2.gz FYQOTWPQJRSDDA-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP N#Cc1ccc(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)c(F)c1 ZINC001147976916 767890007 /nfs/dbraw/zinc/89/00/07/767890007.db2.gz FJPBFRIQCNDXIX-UHFFFAOYSA-N 2 0 316.380 0.999 20 30 DCEDRP N#CCc1ccc(-n2cncc2C[C@@H]([NH3+])CO)cc1[N+](=O)[O-] ZINC001169073495 760572161 /nfs/dbraw/zinc/57/21/61/760572161.db2.gz JRYXADOXUWOTPA-LLVKDONJSA-N 2 0 301.306 0.709 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169799643 760847886 /nfs/dbraw/zinc/84/78/86/760847886.db2.gz WPNQRUGLUOTVKH-CABCVRRESA-N 2 0 324.469 0.647 20 30 DCEDRP C=CCCC[NH+]1CC(N2C[C@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569727 760886848 /nfs/dbraw/zinc/88/68/48/760886848.db2.gz OFFQGIQSKWLJMC-CQSZACIVSA-N 2 0 322.453 0.306 20 30 DCEDRP C=C(C)CC[NH+]1CC(N2C[C@@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108570251 760887531 /nfs/dbraw/zinc/88/75/31/760887531.db2.gz XUUAFVNLLUZIEC-AWEZNQCLSA-N 2 0 322.453 0.306 20 30 DCEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100127512 761158937 /nfs/dbraw/zinc/15/89/37/761158937.db2.gz WDWYPQXSUMOXEP-CVEARBPZSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001090435818 761671567 /nfs/dbraw/zinc/67/15/67/761671567.db2.gz KQEPIEASQULOHT-GJZGRUSLSA-N 2 0 300.362 0.685 20 30 DCEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100141110 761691684 /nfs/dbraw/zinc/69/16/84/761691684.db2.gz LWCUBYODHKXGNZ-IRXDYDNUSA-N 2 0 321.465 0.827 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001114263319 762908169 /nfs/dbraw/zinc/90/81/69/762908169.db2.gz SWHYOANBSIDEEV-TWMKSMIVSA-N 2 0 319.449 0.555 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1=O ZINC001129842528 763022804 /nfs/dbraw/zinc/02/28/04/763022804.db2.gz ZKWCTKYUVCIUOB-GJZGRUSLSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCOCC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099974816 763180231 /nfs/dbraw/zinc/18/02/31/763180231.db2.gz VZTJOVXKQLMLRI-LSDHHAIUSA-N 2 0 313.442 0.082 20 30 DCEDRP C=CCOCC[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130232708 763191804 /nfs/dbraw/zinc/19/18/04/763191804.db2.gz ZCPUYEDVQAJMEU-UHFFFAOYSA-N 2 0 313.442 0.253 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001100408144 763558152 /nfs/dbraw/zinc/55/81/52/763558152.db2.gz WNPZOCVOPRGEIE-BCLQGDPASA-N 2 0 307.438 0.461 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1c1cncn1C ZINC001131089774 763638975 /nfs/dbraw/zinc/63/89/75/763638975.db2.gz ZHRFWEJWFXLUFD-HUUCEWRRSA-N 2 0 317.437 0.279 20 30 DCEDRP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCC[NH+](C)C)C[C@@H](C)O2 ZINC001131682656 763935134 /nfs/dbraw/zinc/93/51/34/763935134.db2.gz RHLQAZTVWURTHF-WBVHZDCISA-N 2 0 307.438 0.653 20 30 DCEDRP C#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001098479012 764436729 /nfs/dbraw/zinc/43/67/29/764436729.db2.gz OBZFHFOLKJVILF-GDBMZVCRSA-N 2 0 307.438 0.103 20 30 DCEDRP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102581090 764711132 /nfs/dbraw/zinc/71/11/32/764711132.db2.gz YXUZZLUGNSRBDI-OWCLPIDISA-N 2 0 309.454 0.825 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001133309273 764917581 /nfs/dbraw/zinc/91/75/81/764917581.db2.gz BCKUFISSZOVNKM-DLBZAZTESA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001103584072 765088957 /nfs/dbraw/zinc/08/89/57/765088957.db2.gz ABEBBPRRAZIFSO-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H](CC)[NH+](CC)CC)C1=O ZINC001133690757 765095486 /nfs/dbraw/zinc/09/54/86/765095486.db2.gz VPMVZHQPANYAHD-GJZGRUSLSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133867939 765194033 /nfs/dbraw/zinc/19/40/33/765194033.db2.gz YMBYYRMQQUBAOF-LSDHHAIUSA-N 2 0 322.453 0.091 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134759311 765658141 /nfs/dbraw/zinc/65/81/41/765658141.db2.gz LTOCQWQOEMKEDH-CABCVRRESA-N 2 0 324.469 0.647 20 30 DCEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001135804905 766124534 /nfs/dbraw/zinc/12/45/34/766124534.db2.gz QWAQLPMUDASOGX-GJZGRUSLSA-N 2 0 309.454 0.993 20 30 DCEDRP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135925103 766173220 /nfs/dbraw/zinc/17/32/20/766173220.db2.gz YGICFODENQRGDR-HUUCEWRRSA-N 2 0 315.458 0.640 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135976213 766197475 /nfs/dbraw/zinc/19/74/75/766197475.db2.gz HWSSNVSISJADCX-ZIAGYGMSSA-N 2 0 312.458 0.503 20 30 DCEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001090672932 766455702 /nfs/dbraw/zinc/45/57/02/766455702.db2.gz HJRRHSUQXMMERJ-CVEARBPZSA-N 2 0 309.454 0.846 20 30 DCEDRP C[NH+](C)CCOCC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001171198978 766974217 /nfs/dbraw/zinc/97/42/17/766974217.db2.gz UBIYBKYUYIKNHD-UHFFFAOYSA-N 2 0 318.421 0.732 20 30 DCEDRP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](O)C1 ZINC001099880058 767482379 /nfs/dbraw/zinc/48/23/79/767482379.db2.gz URGORNUFDKUORS-HZPDHXFCSA-N 2 0 309.454 0.988 20 30 DCEDRP C=CCOCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001147212006 767675484 /nfs/dbraw/zinc/67/54/84/767675484.db2.gz LHVHQIYLXJFBBH-HNNXBMFYSA-N 2 0 307.438 0.818 20 30 DCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001122186688 767736146 /nfs/dbraw/zinc/73/61/46/767736146.db2.gz XURMNLCQBGWNMM-JFPDKAJLSA-N 2 0 319.449 0.605 20 30 DCEDRP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150291138 769059405 /nfs/dbraw/zinc/05/94/05/769059405.db2.gz JMIVTHKOKPAWIS-JKSUJKDBSA-N 2 0 309.454 0.803 20 30 DCEDRP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606960 769137930 /nfs/dbraw/zinc/13/79/30/769137930.db2.gz MRHGXRJGLIUWII-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2CC)C1=O ZINC001152457408 769563580 /nfs/dbraw/zinc/56/35/80/769563580.db2.gz DEYGLUAZOXOZSA-LSDHHAIUSA-N 2 0 322.453 0.354 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150195124 769637687 /nfs/dbraw/zinc/63/76/87/769637687.db2.gz YGAICPRBAHDVQJ-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCOc1cccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235871453 769956343 /nfs/dbraw/zinc/95/63/43/769956343.db2.gz UKAZJQLSEUVICV-UHFFFAOYSA-N 2 0 318.465 0.836 20 30 DCEDRP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033930 770051931 /nfs/dbraw/zinc/05/19/31/770051931.db2.gz QKKDBEZPISYRFL-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP N#Cc1ccc(CS(=O)(=O)NCCC[NH2+]CCCC[NH3+])cc1 ZINC001238878639 770139684 /nfs/dbraw/zinc/13/96/84/770139684.db2.gz BKNDSDIVCWXFJR-UHFFFAOYSA-N 2 0 324.450 0.696 20 30 DCEDRP COCC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001178045904 770599907 /nfs/dbraw/zinc/59/99/07/770599907.db2.gz ZDRQWXKYVRPIHW-INIZCTEOSA-N 2 0 309.454 0.997 20 30 DCEDRP COCC#CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203357045 770830724 /nfs/dbraw/zinc/83/07/24/770830724.db2.gz CXXNPNURKWGHHP-HUUCEWRRSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001156908407 770962452 /nfs/dbraw/zinc/96/24/52/770962452.db2.gz WYLQTZSAZHIWDF-JKSUJKDBSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179439797 771005689 /nfs/dbraw/zinc/00/56/89/771005689.db2.gz YXFOTXWYIPAMHV-KKUMJFAQSA-N 2 0 324.469 0.598 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[NH+](CC)CC)[C@H]1C ZINC001179744424 771010151 /nfs/dbraw/zinc/01/01/51/771010151.db2.gz PVOWCWWCXKLFDN-KKUMJFAQSA-N 2 0 322.453 0.045 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179935327 771036706 /nfs/dbraw/zinc/03/67/06/771036706.db2.gz BJLYHVYEKJSMJB-ZNMIVQPWSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]C[C@@H](C)OC)[C@@H]2C)CC1 ZINC001180203937 771073893 /nfs/dbraw/zinc/07/38/93/771073893.db2.gz CTDPVXBWKRUEJV-VYDXJSESSA-N 2 0 321.465 0.946 20 30 DCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001183610540 771669298 /nfs/dbraw/zinc/66/92/98/771669298.db2.gz HMOXYQDVUANSRW-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP COC(=O)[C@@H]1C[C@@H](Nc2ncc3c(c2C#N)CCC[NH2+]C3)CN1 ZINC001158250906 771745650 /nfs/dbraw/zinc/74/56/50/771745650.db2.gz DEZAYIGFIREQSN-RISCZKNCSA-N 2 0 315.377 0.304 20 30 DCEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158485969 771781774 /nfs/dbraw/zinc/78/17/74/771781774.db2.gz CMBHLEXWDZHICN-OLZOCXBDSA-N 2 0 301.818 0.698 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001185699037 771944737 /nfs/dbraw/zinc/94/47/37/771944737.db2.gz RDISJSMPSOVQMW-CQSZACIVSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CCO)[C@H](C)C2)CC1 ZINC001185731965 771951297 /nfs/dbraw/zinc/95/12/97/771951297.db2.gz WQKHOIBJSPIOAU-NVXWUHKLSA-N 2 0 321.465 0.398 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001159907556 771974584 /nfs/dbraw/zinc/97/45/84/771974584.db2.gz ADKZLARBVDQJIB-HNNXBMFYSA-N 2 0 322.453 0.095 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC12CCOCC2 ZINC001186471363 772044266 /nfs/dbraw/zinc/04/42/66/772044266.db2.gz AFMGQLYMOPYTGC-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001160834443 772118023 /nfs/dbraw/zinc/11/80/23/772118023.db2.gz LACZSSISVASNJD-UHFFFAOYSA-N 2 0 307.438 0.608 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)CCC)C2)C1=O ZINC001187322637 772165695 /nfs/dbraw/zinc/16/56/95/772165695.db2.gz PPNOQBVUHRQMTM-CABCVRRESA-N 2 0 322.453 0.306 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001187307121 772172513 /nfs/dbraw/zinc/17/25/13/772172513.db2.gz VLZJRMMKDDTIED-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC(C#N)(C(=O)OC)CC1 ZINC001161489818 772232898 /nfs/dbraw/zinc/23/28/98/772232898.db2.gz WVLXFTNWXDUCMV-LBPRGKRZSA-N 2 0 310.398 0.009 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958229 772252712 /nfs/dbraw/zinc/25/27/12/772252712.db2.gz LQBSOQPDQHCXHV-YYIAUSFCSA-N 2 0 319.449 0.509 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCCOC)C2)CC1 ZINC001188091833 772264546 /nfs/dbraw/zinc/26/45/46/772264546.db2.gz PEFVUNVGVFZNKM-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001188138727 772270945 /nfs/dbraw/zinc/27/09/45/772270945.db2.gz APQJQEIBUZEAQY-CABCVRRESA-N 2 0 322.453 0.354 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001161863332 772291048 /nfs/dbraw/zinc/29/10/48/772291048.db2.gz IYCUSJMKVURZGP-UHFFFAOYSA-N 2 0 300.362 0.694 20 30 DCEDRP COCC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001164582697 772684493 /nfs/dbraw/zinc/68/44/93/772684493.db2.gz NKKFCKNZWQJQID-HZPDHXFCSA-N 2 0 321.465 0.853 20 30 DCEDRP N#Cc1c2c(cnc1N1C[C@H]3C[NH2+]C[C@@]3(CO)C1)C[NH2+]CCC2 ZINC001165282402 772716660 /nfs/dbraw/zinc/71/66/60/772716660.db2.gz ZTFWJNKRPLDSDX-DYVFJYSZSA-N 2 0 313.405 0.007 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152726 772875782 /nfs/dbraw/zinc/87/57/82/772875782.db2.gz HWLQXNVWHMKPCO-ZIAGYGMSSA-N 2 0 310.442 0.162 20 30 DCEDRP C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001192170410 772879393 /nfs/dbraw/zinc/87/93/93/772879393.db2.gz LICOIAWOKCXNDZ-CABCVRRESA-N 2 0 322.453 0.258 20 30 DCEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193821507 773116557 /nfs/dbraw/zinc/11/65/57/773116557.db2.gz LRSAIKLVHGHNGI-FVQBIDKESA-N 2 0 309.454 0.987 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001206890434 773121919 /nfs/dbraw/zinc/12/19/19/773121919.db2.gz RIUAKGDIGDLGJL-UHFFFAOYSA-N 2 0 324.469 0.459 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC#CCOC)C2)CC[N@@H+]1C ZINC001208073209 773393745 /nfs/dbraw/zinc/39/37/45/773393745.db2.gz FGUIYLKGYAXUOV-IXDOHACOSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209277413 773581534 /nfs/dbraw/zinc/58/15/34/773581534.db2.gz INBFYIVBHHAOFQ-AWEZNQCLSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209314309 773589770 /nfs/dbraw/zinc/58/97/70/773589770.db2.gz IECGUSJFMAIWGO-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209447413 773605967 /nfs/dbraw/zinc/60/59/67/773605967.db2.gz ZZEFMQKHXVAPAO-KGLIPLIRSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210217472 773685715 /nfs/dbraw/zinc/68/57/15/773685715.db2.gz IXICCNHNZMYIQG-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCN1CCCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)CC1 ZINC001197195916 773712417 /nfs/dbraw/zinc/71/24/17/773712417.db2.gz MVCMGDZSKPFDPH-MRXNPFEDSA-N 2 0 307.438 0.655 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211045923 773763012 /nfs/dbraw/zinc/76/30/12/773763012.db2.gz FBSJPTBLORDIOE-BZUAXINKSA-N 2 0 307.438 0.415 20 30 DCEDRP N#Cc1c2c(sc1NC(=O)c1n[nH]c3c1C[NH2+]C3)C[NH2+]CC2 ZINC001218556711 774247074 /nfs/dbraw/zinc/24/70/74/774247074.db2.gz XMTDUIZIYRQBOU-UHFFFAOYSA-N 2 0 314.374 0.844 20 30 DCEDRP CC(=O)Nc1ccc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)cc1C#N ZINC001218915234 774325782 /nfs/dbraw/zinc/32/57/82/774325782.db2.gz LIEPHBNAWPSCLS-HNNXBMFYSA-N 2 0 315.377 0.782 20 30 DCEDRP COc1cc(C#N)c(F)cc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219107316 774373969 /nfs/dbraw/zinc/37/39/69/774373969.db2.gz BJCCQWDYESCHBV-SNVBAGLBSA-N 2 0 304.325 0.453 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CCCO1 ZINC001200850487 774416289 /nfs/dbraw/zinc/41/62/89/774416289.db2.gz HQZFVXCEUXSEDI-OAHLLOKOSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001201309681 774485592 /nfs/dbraw/zinc/48/55/92/774485592.db2.gz SOLNZOKXWXDYEC-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCCO1 ZINC001201720545 774543582 /nfs/dbraw/zinc/54/35/82/774543582.db2.gz SKLGBNXPBYCDFM-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](CC#C)CC2)CCCO1 ZINC001202141436 774606072 /nfs/dbraw/zinc/60/60/72/774606072.db2.gz OXPXLLLJSHNOHC-KRWDZBQOSA-N 2 0 317.433 0.172 20 30 DCEDRP C#C[C@](C)([NH3+])C(=O)NC1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001220039470 774678698 /nfs/dbraw/zinc/67/86/98/774678698.db2.gz GHESBZALRDWSIM-AJQRCPHMSA-N 2 0 309.410 0.435 20 30 DCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001114465238 774883263 /nfs/dbraw/zinc/88/32/63/774883263.db2.gz BHOCGFGRPONYNH-ZSHCYNCHSA-N 2 0 319.449 0.415 20 30 DCEDRP CC[C@H](CC#N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220898628 774947539 /nfs/dbraw/zinc/94/75/39/774947539.db2.gz QOQQOEGVHGIGBZ-RDBSUJKOSA-N 2 0 323.441 0.242 20 30 DCEDRP CC[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC#CCOC)[C@H]2C1)[NH+](C)C ZINC001223512455 775497353 /nfs/dbraw/zinc/49/73/53/775497353.db2.gz IYDHCYRTULFXHQ-IKGGRYGDSA-N 2 0 321.465 0.899 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001228263723 776060677 /nfs/dbraw/zinc/06/06/77/776060677.db2.gz NCDYWGYYZIQFDU-HNNXBMFYSA-N 2 0 322.453 0.352 20 30 DCEDRP C=CCNC(=O)CN1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001229185327 776165971 /nfs/dbraw/zinc/16/59/71/776165971.db2.gz LIOKNMWNUWOJDI-AWEZNQCLSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@H](CC)[NH+](C)C)C1=O ZINC001317626704 945125027 /nfs/dbraw/zinc/12/50/27/945125027.db2.gz DHCWNQCHGYRKDX-KGLIPLIRSA-N 2 0 310.442 0.162 20 30 DCEDRP C=CCN1CC[NH+](CCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001266263257 939034917 /nfs/dbraw/zinc/03/49/17/939034917.db2.gz ZLLGGMNETWOJTN-QGZVFWFLSA-N 2 0 320.481 0.638 20 30 DCEDRP C#CC[N@H+](CC)CCNC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001266392944 939104534 /nfs/dbraw/zinc/10/45/34/939104534.db2.gz SHCLUSUZSCZSPV-HNNXBMFYSA-N 2 0 303.410 0.861 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266802201 939240651 /nfs/dbraw/zinc/24/06/51/939240651.db2.gz XMDZDOIOKYYPBS-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001266967472 939292583 /nfs/dbraw/zinc/29/25/83/939292583.db2.gz GDSSOLJFVUTSBS-STQMWFEESA-N 2 0 310.442 0.113 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)C[C@H]2CC[C@H](C)O2)CC1 ZINC001267232172 939396933 /nfs/dbraw/zinc/39/69/33/939396933.db2.gz BEPBYIFBPMOABH-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CCOC2CCC2)CC1 ZINC001267232167 939396972 /nfs/dbraw/zinc/39/69/72/939396972.db2.gz BCPOTMUIZXCYKE-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268094428 939944237 /nfs/dbraw/zinc/94/42/37/939944237.db2.gz OHFBSCRKFRLMSI-KBPBESRZSA-N 2 0 310.442 0.067 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001268220021 939994146 /nfs/dbraw/zinc/99/41/46/939994146.db2.gz REPBFAUFKRADGV-CVEARBPZSA-N 2 0 309.454 0.708 20 30 DCEDRP C#CCNC(=O)[C@@H](C)N1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001268215459 939994247 /nfs/dbraw/zinc/99/42/47/939994247.db2.gz JOZVUUVZSAGILP-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP N#Cc1cc(NC[C@]2(O)CC[NH2+]C2)ccc1N1CC[NH2+]CC1 ZINC001245966268 945304082 /nfs/dbraw/zinc/30/40/82/945304082.db2.gz LJTGGBISOJGHSX-INIZCTEOSA-N 2 0 301.394 0.104 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268580032 940263664 /nfs/dbraw/zinc/26/36/64/940263664.db2.gz VMBZVQUXYSEMTG-KXLSMFKISA-N 2 0 322.453 0.423 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001268686907 940331003 /nfs/dbraw/zinc/33/10/03/940331003.db2.gz RENBMDSNBANGGQ-MELADBBJSA-N 2 0 310.442 0.113 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CC#CCOC)C2)CC[N@@H+]1C ZINC001269026155 940596198 /nfs/dbraw/zinc/59/61/98/940596198.db2.gz RTTKAQJASXNWOO-HRCADAONSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001269493554 940719034 /nfs/dbraw/zinc/71/90/34/940719034.db2.gz YAQNZYQRKUYABC-ZIAGYGMSSA-N 2 0 322.453 0.257 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001284652941 940787710 /nfs/dbraw/zinc/78/77/10/940787710.db2.gz NHRPZBLDQMGDIH-HNNXBMFYSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001270150377 940845830 /nfs/dbraw/zinc/84/58/30/940845830.db2.gz JBAKKHFFQKKNTL-HNNXBMFYSA-N 2 0 303.410 0.272 20 30 DCEDRP CCOC(=O)C[C@H]([NH2+][C@@H]1CCN[C@H](C#N)C1)C1CC[NH2+]CC1 ZINC001246226688 945366576 /nfs/dbraw/zinc/36/65/76/945366576.db2.gz IZUUMHLUZKXNKD-ILXRZTDVSA-N 2 0 308.426 0.542 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001270813888 940998907 /nfs/dbraw/zinc/99/89/07/940998907.db2.gz YIYWQJCNRLYKEM-UHFFFAOYSA-N 2 0 319.449 0.751 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001482438130 941221267 /nfs/dbraw/zinc/22/12/67/941221267.db2.gz BQHUGIKLWOEEEM-HUUCEWRRSA-N 2 0 324.469 0.455 20 30 DCEDRP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001271152197 941291436 /nfs/dbraw/zinc/29/14/36/941291436.db2.gz KFEQIQCCEKAMEX-WBVHZDCISA-N 2 0 307.438 0.437 20 30 DCEDRP C=CCNC(=O)C[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@H]2C1 ZINC001271893015 941474173 /nfs/dbraw/zinc/47/41/73/941474173.db2.gz ZLYMWHVQVNYVJF-GASCZTMLSA-N 2 0 322.453 0.021 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001482991484 941761142 /nfs/dbraw/zinc/76/11/42/941761142.db2.gz RTWVPTUSXFLXRC-MEWZEZIVSA-N 2 0 308.426 0.033 20 30 DCEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@@H](O)C1 ZINC001083594369 942028536 /nfs/dbraw/zinc/02/85/36/942028536.db2.gz YBMYNWNVASRFCM-PMPSAXMXSA-N 2 0 309.454 0.844 20 30 DCEDRP C#CCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@@H](O)C1 ZINC001083594170 942028604 /nfs/dbraw/zinc/02/86/04/942028604.db2.gz PFOBKVGIRMQVJH-PMPSAXMXSA-N 2 0 307.438 0.291 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001483278342 942230935 /nfs/dbraw/zinc/23/09/35/942230935.db2.gz AZJRCKDLAHYZOR-LSDHHAIUSA-N 2 0 324.469 0.503 20 30 DCEDRP C#CCN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](CCCO)CC1 ZINC001483986855 943071797 /nfs/dbraw/zinc/07/17/97/943071797.db2.gz UTHPWIFOHXAVPX-UHFFFAOYSA-N 2 0 321.465 0.637 20 30 DCEDRP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001484436095 943379798 /nfs/dbraw/zinc/37/97/98/943379798.db2.gz UHEYNCDKXPXPGX-DOTOQJQBSA-N 2 0 307.438 0.457 20 30 DCEDRP C#CC[NH2+]CCN(CCO)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001484495652 943428621 /nfs/dbraw/zinc/42/86/21/943428621.db2.gz DNJPMSAQQRMMCM-UHFFFAOYSA-N 2 0 303.406 0.406 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001484921162 943626107 /nfs/dbraw/zinc/62/61/07/943626107.db2.gz OZWLBLOVNBECJB-UHFFFAOYSA-N 2 0 324.469 0.601 20 30 DCEDRP C=C(C)C[NH2+]CC1(O)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001484961017 943633459 /nfs/dbraw/zinc/63/34/59/943633459.db2.gz OSHPENLMDONAGG-HNNXBMFYSA-N 2 0 309.454 0.847 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001491272509 943889384 /nfs/dbraw/zinc/88/93/84/943889384.db2.gz KKOJPNJAVNVQTB-INIZCTEOSA-N 2 0 307.438 0.703 20 30 DCEDRP C=CCC[C@@H](C)N1CC(CCO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001485400377 943920642 /nfs/dbraw/zinc/92/06/42/943920642.db2.gz DVCCJODLJJVROO-CABCVRRESA-N 2 0 309.454 0.988 20 30 DCEDRP C#CC[NH2+]CCCOC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001485443969 943941948 /nfs/dbraw/zinc/94/19/48/943941948.db2.gz SQODEKGOJKVCEO-UHFFFAOYSA-N 2 0 307.438 0.703 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001485672105 944072140 /nfs/dbraw/zinc/07/21/40/944072140.db2.gz DMZMPMVOEBTERS-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]CCOC)C2CC2)CC1 ZINC001317035204 944753022 /nfs/dbraw/zinc/75/30/22/944753022.db2.gz RCMHMUCHXSEJDN-INIZCTEOSA-N 2 0 307.438 0.462 20 30 DCEDRP C=CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001317137820 944817916 /nfs/dbraw/zinc/81/79/16/944817916.db2.gz NYMINHMXVASLCE-HNNXBMFYSA-N 2 0 322.453 0.213 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001317265243 944885748 /nfs/dbraw/zinc/88/57/48/944885748.db2.gz NNKVIZDRMNKFQW-KBPBESRZSA-N 2 0 322.453 0.209 20 30 DCEDRP COC(=O)c1ccc(C(=[NH2+])NC2C[C@@H]3COC[C@H](C2)[NH2+]3)cc1 ZINC001246305904 945381885 /nfs/dbraw/zinc/38/18/85/945381885.db2.gz QOTWOEUAMUJSGF-AGUYFDCRSA-N 2 0 303.362 0.698 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]C[C@@H]2CCOC2)CC1 ZINC001318608792 945412452 /nfs/dbraw/zinc/41/24/52/945412452.db2.gz YUUZXSGZDNFOFO-RDJZCZTQSA-N 2 0 321.465 0.853 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001318985014 945475209 /nfs/dbraw/zinc/47/52/09/945475209.db2.gz ZNZVZQYOPBVGMP-RBSFLKMASA-N 2 0 322.453 0.257 20 30 DCEDRP CCOC(=O)C1(C#N)CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246874715 945510813 /nfs/dbraw/zinc/51/08/13/945510813.db2.gz KPIUTKNLWUUKHZ-CYBMUJFWSA-N 2 0 306.410 0.249 20 30 DCEDRP CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CC#CCOC)C1)[NH+](C)C ZINC001278511253 945614956 /nfs/dbraw/zinc/61/49/56/945614956.db2.gz HRIKZUANQYRJMA-NVXWUHKLSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001320275109 945797545 /nfs/dbraw/zinc/79/75/45/945797545.db2.gz SZZUMKYPHYMEBP-CJNGLKHVSA-N 2 0 315.433 0.842 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001320929141 946073310 /nfs/dbraw/zinc/07/33/10/946073310.db2.gz PMSSCOTYGBJTPT-OAHLLOKOSA-N 2 0 322.453 0.048 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cncn1C ZINC001321543154 946371659 /nfs/dbraw/zinc/37/16/59/946371659.db2.gz IFEPMXJSXRZPLO-HIFRSBDPSA-N 2 0 303.410 0.112 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC001273277094 946415109 /nfs/dbraw/zinc/41/51/09/946415109.db2.gz QACJMJDICWJPAU-INIZCTEOSA-N 2 0 319.449 0.703 20 30 DCEDRP C=C(C)CC[NH+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001278816793 946438253 /nfs/dbraw/zinc/43/82/53/946438253.db2.gz WTUAHBUBGRNXCZ-NVXWUHKLSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CCO1 ZINC001273323861 946633281 /nfs/dbraw/zinc/63/32/81/946633281.db2.gz RVFPBIMEYWIXPO-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001324456277 947431525 /nfs/dbraw/zinc/43/15/25/947431525.db2.gz UCZKJDBPDTZWJM-SJORKVTESA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001324803804 947536359 /nfs/dbraw/zinc/53/63/59/947536359.db2.gz MMDXISZSIHKGJH-QGZVFWFLSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCC)CCOCC2)CC1 ZINC001325036430 947619764 /nfs/dbraw/zinc/61/97/64/947619764.db2.gz FNITUUYBCZKWCI-UHFFFAOYSA-N 2 0 321.465 0.997 20 30 DCEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001262566604 947728013 /nfs/dbraw/zinc/72/80/13/947728013.db2.gz UPWBPINEUAVWQF-AWEZNQCLSA-N 2 0 307.350 0.489 20 30 DCEDRP C=CCCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001327607558 948569898 /nfs/dbraw/zinc/56/98/98/948569898.db2.gz ORWYTSSJLSPAQD-WBVHZDCISA-N 2 0 309.454 0.847 20 30 DCEDRP C=C[C@H](O)C[NH+]1CCC2(CCC(=O)N(CC[NH+](C)C)C2)CC1 ZINC001273881487 948652725 /nfs/dbraw/zinc/65/27/25/948652725.db2.gz OFUDSVJGOOVZFX-HNNXBMFYSA-N 2 0 309.454 0.800 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001328217853 948751636 /nfs/dbraw/zinc/75/16/36/948751636.db2.gz QQHJANPTAPVLDS-MRXNPFEDSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001328217852 948752867 /nfs/dbraw/zinc/75/28/67/948752867.db2.gz QQHJANPTAPVLDS-INIZCTEOSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001263820615 948760425 /nfs/dbraw/zinc/76/04/25/948760425.db2.gz CQVAVQARWJFJLG-CVEARBPZSA-N 2 0 307.438 0.511 20 30 DCEDRP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@@H+]1CC#CCOC ZINC001264066226 948860491 /nfs/dbraw/zinc/86/04/91/948860491.db2.gz CNSJSXXHRBNCNI-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1OCC ZINC001489017771 949436886 /nfs/dbraw/zinc/43/68/86/949436886.db2.gz VNGRNOFWTGGWQQ-GVDBMIGSSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001265265331 949514063 /nfs/dbraw/zinc/51/40/63/949514063.db2.gz VWCBCHSAVJPOCM-IRXDYDNUSA-N 2 0 320.481 0.923 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001266182519 950451887 /nfs/dbraw/zinc/45/18/87/950451887.db2.gz JSKNSLAKVUFQOB-ZIAGYGMSSA-N 2 0 322.453 0.257 20 30 DCEDRP COCC#CC[NH2+]CCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001330956277 950789728 /nfs/dbraw/zinc/78/97/28/950789728.db2.gz YIOGHSGUPNHGBI-HOTGVXAUSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CCNC(=O)C[NH+](C)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001331069398 950872148 /nfs/dbraw/zinc/87/21/48/950872148.db2.gz WVGSRYPZYCIQQF-UHFFFAOYSA-N 2 0 324.469 0.553 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001280745275 951060341 /nfs/dbraw/zinc/06/03/41/951060341.db2.gz RVNNOWJOMHYSAI-HUUCEWRRSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001490778001 951100050 /nfs/dbraw/zinc/10/00/50/951100050.db2.gz USOUBCPONUOITB-IAGOWNOFSA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001281460245 951509296 /nfs/dbraw/zinc/50/92/96/951509296.db2.gz XETJUYKOLJPMBL-JKSUJKDBSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CC=C)CC1 ZINC001281613321 951563878 /nfs/dbraw/zinc/56/38/78/951563878.db2.gz QWDFYERWVDRPCP-HNNXBMFYSA-N 2 0 305.422 0.213 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC#CCOC)C(C)(C)C1 ZINC001332438383 951647216 /nfs/dbraw/zinc/64/72/16/951647216.db2.gz RZGKMCWKMFEGMA-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCC[C@@H](O)C[N@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001274619743 951745209 /nfs/dbraw/zinc/74/52/09/951745209.db2.gz CJVNOPFRPYSRFP-NVXWUHKLSA-N 2 0 309.454 0.942 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001274824637 951847614 /nfs/dbraw/zinc/84/76/14/951847614.db2.gz DWJWCLGRKYJXRN-CYBMUJFWSA-N 2 0 308.426 0.011 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2ccn(C)n2)CC1 ZINC001275459564 952161734 /nfs/dbraw/zinc/16/17/34/952161734.db2.gz SUPWATJZAPNGHH-AWEZNQCLSA-N 2 0 317.437 0.360 20 30 DCEDRP O=C(NCC[NH2+]C1CC[NH+](CC2CC2)CC1)C1N=CC=CC1=O ZINC001337209389 952828034 /nfs/dbraw/zinc/82/80/34/952828034.db2.gz AHYDMNVWRPGPQG-WUKNDPDISA-N 2 0 318.421 0.977 20 30 DCEDRP C#CC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001276159056 952953585 /nfs/dbraw/zinc/95/35/85/952953585.db2.gz SHNOYOBELSVVJX-INIZCTEOSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1C[NH2+]CCN1C)C(C)C ZINC001341661534 953243780 /nfs/dbraw/zinc/24/37/80/953243780.db2.gz DBFAGKGJGXRXFY-JKSUJKDBSA-N 2 0 308.470 0.705 20 30 DCEDRP C=CC[C@]1(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)CCC[NH2+]1 ZINC001343591533 953355305 /nfs/dbraw/zinc/35/53/05/953355305.db2.gz GLMWWBOZKQCSSB-USXIJHARSA-N 2 0 323.437 0.027 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001282203529 953522246 /nfs/dbraw/zinc/52/22/46/953522246.db2.gz OMNYOKWBJHRESM-CABCVRRESA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCOCC[NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001316621751 953670455 /nfs/dbraw/zinc/67/04/55/953670455.db2.gz HFNYTTYAWDMNQX-GASCZTMLSA-N 2 0 307.438 0.769 20 30 DCEDRP C#CCC[N@H+](C)CCOCCNC(=O)C12CCC[NH+]1CCC2 ZINC001283386832 954314003 /nfs/dbraw/zinc/31/40/03/954314003.db2.gz GIHRPLKPBROIHH-UHFFFAOYSA-N 2 0 307.438 0.703 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001354474708 956401561 /nfs/dbraw/zinc/40/15/61/956401561.db2.gz MWPKUESABGMQCG-BZUAXINKSA-N 3 0 310.486 0.868 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001392380256 991844434 /nfs/dbraw/zinc/84/44/34/991844434.db2.gz ABZQBRRCNLJNMW-CYBMUJFWSA-N 2 0 315.845 0.682 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001507029731 1015902852 /nfs/dbraw/zinc/90/28/52/1015902852.db2.gz YYJPVDAHPQOAJF-DOTOQJQBSA-N 2 0 321.465 0.805 20 30 DCEDRP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001507036928 1015907026 /nfs/dbraw/zinc/90/70/26/1015907026.db2.gz NKOKWIXKYFBIRP-RDJZCZTQSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001502573351 1015979205 /nfs/dbraw/zinc/97/92/05/1015979205.db2.gz NFERXSUNWYAXDU-WBVHZDCISA-N 2 0 307.438 0.437 20 30 DCEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001507264828 1016197056 /nfs/dbraw/zinc/19/70/56/1016197056.db2.gz LTKRJBLCTFZNRB-MRXNPFEDSA-N 2 0 303.406 0.452 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001507401104 1016306423 /nfs/dbraw/zinc/30/64/23/1016306423.db2.gz SIEVYOYOZVIOBW-HZPDHXFCSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001507507901 1016433500 /nfs/dbraw/zinc/43/35/00/1016433500.db2.gz WFKRIEQXEIVFAS-HZPDHXFCSA-N 2 0 309.454 0.682 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001508136141 1016668001 /nfs/dbraw/zinc/66/80/01/1016668001.db2.gz UKTQLWQJEZRPIB-IYXRBSQSSA-N 2 0 310.442 0.208 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001407844305 1004896782 /nfs/dbraw/zinc/89/67/82/1004896782.db2.gz CEWPKIGETIMANK-CYBMUJFWSA-N 2 0 315.845 0.898 20 30 DCEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC001422261154 1009726905 /nfs/dbraw/zinc/72/69/05/1009726905.db2.gz ANCBUZMRNCZYTM-CVEARBPZSA-N 2 0 316.405 0.219 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001422342634 1009916102 /nfs/dbraw/zinc/91/61/02/1009916102.db2.gz OJZIINDBQUVQID-KBPBESRZSA-N 2 0 317.861 0.928 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001506847674 1017610109 /nfs/dbraw/zinc/61/01/09/1017610109.db2.gz QCYKSMFTAMWIGH-HOTGVXAUSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001506854591 1017618889 /nfs/dbraw/zinc/61/88/89/1017618889.db2.gz LVDPPYILQIQFRI-GVDBMIGSSA-N 2 0 321.465 0.805 20 30 DCEDRP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC#CCOC)[C@@H]1CC)[NH+](C)C ZINC001479641526 1017619158 /nfs/dbraw/zinc/61/91/58/1017619158.db2.gz DCKGLNIJKIJWRN-XHSDSOJGSA-N 2 0 309.454 0.946 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001499620508 1018002356 /nfs/dbraw/zinc/00/23/56/1018002356.db2.gz XDTLJRUKNNLZCC-FUHWJXTLSA-N 2 0 319.449 0.512 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CC#CCOC)C2CC2)CC[N@@H+]1C ZINC001480019952 1018128942 /nfs/dbraw/zinc/12/89/42/1018128942.db2.gz CCAZWPOHKLTGRF-GVDBMIGSSA-N 2 0 321.465 0.851 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001480111572 1018217012 /nfs/dbraw/zinc/21/70/12/1018217012.db2.gz BTQYMFRNMUFMQK-KKUMJFAQSA-N 2 0 324.469 0.454 20 30 DCEDRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC#CCOC)C1)[NH+](CC)CC ZINC001480222165 1018332609 /nfs/dbraw/zinc/33/26/09/1018332609.db2.gz FMLRMUMZMSRRPW-XHSDSOJGSA-N 2 0 309.454 0.993 20 30 DCEDRP CC[C@H](C(=O)NC1(C[NH2+]CC#CCOC)CCCC1)[NH+](C)C ZINC001495170086 1018370049 /nfs/dbraw/zinc/37/00/49/1018370049.db2.gz XZVQMNWIDNTQCF-OAHLLOKOSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCCO)CCCC2)CC1 ZINC001495963162 1018910201 /nfs/dbraw/zinc/91/02/01/1018910201.db2.gz DGSLGUNJFTVOQC-UHFFFAOYSA-N 2 0 321.465 0.733 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001493205736 1019200133 /nfs/dbraw/zinc/20/01/33/1019200133.db2.gz GTWGSMUXIUQJAH-BZUAXINKSA-N 2 0 307.438 0.415 20 30 DCEDRP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001501577542 1019301906 /nfs/dbraw/zinc/30/19/06/1019301906.db2.gz ARIPTSVCPRJJNR-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH2+]CC[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001501634673 1019343931 /nfs/dbraw/zinc/34/39/31/1019343931.db2.gz IVIVVACRGHWXFS-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001496481770 1019344015 /nfs/dbraw/zinc/34/40/15/1019344015.db2.gz OXVVEZAQXGCWPI-LSDHHAIUSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001502101739 1019721801 /nfs/dbraw/zinc/72/18/01/1019721801.db2.gz IDDVOCCMXKDZSH-KRWDZBQOSA-N 2 0 320.481 0.568 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001499183593 1019834516 /nfs/dbraw/zinc/83/45/16/1019834516.db2.gz FVNFMZDVOKGYRJ-OLZOCXBDSA-N 2 0 308.426 0.010 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(CCC)[C@H]2CC[N@H+](CCO)C2)CC1 ZINC001493977508 1019870623 /nfs/dbraw/zinc/87/06/23/1019870623.db2.gz NGWJOWDUELZGIQ-KRWDZBQOSA-N 2 0 321.465 0.637 20 30 DCEDRP C[N@@H+]1CC[C@](O)(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262317937 529809271 /nfs/dbraw/zinc/80/92/71/529809271.db2.gz RAGKXLPNLSSTMI-BBRMVZONSA-N 2 0 304.394 0.481 20 30 DCEDRP [NH2+]=C(NC[C@H]1C[NH+]2CCN1CC2)N[C@H]1CCOc2ccccc21 ZINC000262798468 283260991 /nfs/dbraw/zinc/26/09/91/283260991.db2.gz PZOUZCPEZDQWGX-ZFWWWQNUSA-N 2 0 315.421 0.414 20 30 DCEDRP COC(=O)[C@H](C)C[NH+](C)CC#CC[N@@H+](C)C[C@H](C)C(=O)OC ZINC000276297686 533168171 /nfs/dbraw/zinc/16/81/71/533168171.db2.gz JGYYQLWBTIVRFJ-OKILXGFUSA-N 2 0 312.410 0.472 20 30 DCEDRP C[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000329523996 396845610 /nfs/dbraw/zinc/84/56/10/396845610.db2.gz QFVQYNWVEXSUAU-ZIAGYGMSSA-N 2 0 310.442 0.574 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000458333985 397429503 /nfs/dbraw/zinc/42/95/03/397429503.db2.gz MAUCIPKLWHHTKN-MRXNPFEDSA-N 2 0 324.469 0.783 20 30 DCEDRP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958963 415320515 /nfs/dbraw/zinc/32/05/15/415320515.db2.gz LYVPSOQMFCUSMS-HNNXBMFYSA-N 2 0 322.453 0.791 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000343767029 415718049 /nfs/dbraw/zinc/71/80/49/415718049.db2.gz QENLJHCUURRMOX-UHFFFAOYSA-N 2 0 324.469 0.552 20 30 DCEDRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000329174003 416155246 /nfs/dbraw/zinc/15/52/46/416155246.db2.gz LROYSCGHOYHCSH-OAGGEKHMSA-N 2 0 323.485 0.753 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1CCC[NH+](C)CC1 ZINC000303892471 416102963 /nfs/dbraw/zinc/10/29/63/416102963.db2.gz RFGHOYHIJRHAIR-HNNXBMFYSA-N 3 0 310.490 0.013 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000347063316 416211277 /nfs/dbraw/zinc/21/12/77/416211277.db2.gz DMGQTFBLUHDTKR-OAHLLOKOSA-N 2 0 310.442 0.657 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000491773458 416626460 /nfs/dbraw/zinc/62/64/60/416626460.db2.gz BDSZSISCAIRJFA-MRXNPFEDSA-N 2 0 320.481 0.616 20 30 DCEDRP C=CC[C@@]1(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCC[NH2+]1 ZINC000662737465 417879407 /nfs/dbraw/zinc/87/94/07/417879407.db2.gz ZOVXPSZDLHLHEU-QAPCUYQASA-N 2 0 320.481 0.969 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659706615 418155207 /nfs/dbraw/zinc/15/52/07/418155207.db2.gz ODLVQEUYRMUCOM-UHFFFAOYSA-N 2 0 322.453 0.531 20 30 DCEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NC[C@@]1(C)CCCS1 ZINC000261957590 275407128 /nfs/dbraw/zinc/40/71/28/275407128.db2.gz JEELBQYVZDGFCA-UKRRQHHQSA-N 2 0 311.499 0.437 20 30 DCEDRP Cc1cc(C#N)cnc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000555889403 288365149 /nfs/dbraw/zinc/36/51/49/288365149.db2.gz SJCCPWZVCZCORI-UHFFFAOYSA-N 2 0 303.410 0.827 20 30 DCEDRP N#Cc1nccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000583094805 337240206 /nfs/dbraw/zinc/24/02/06/337240206.db2.gz ZOOBKOCNZMXHKM-UHFFFAOYSA-N 2 0 323.404 0.789 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001567494715 1160395540 /nfs/dbraw/zinc/39/55/40/1160395540.db2.gz MEGFQCNXUZZUFV-CABCVRRESA-N 2 0 322.453 0.045 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001569829341 1161281016 /nfs/dbraw/zinc/28/10/16/1161281016.db2.gz XHNPMTMHMQTMEO-HZPDHXFCSA-N 2 0 309.454 0.803 20 30 DCEDRP COc1ccccc1CNC(=[NH2+])NC[C@H](O)C[NH+]1CCCCC1 ZINC000170913231 534074804 /nfs/dbraw/zinc/07/48/04/534074804.db2.gz CTZTWTJFAWLZOA-HNNXBMFYSA-N 2 0 320.437 0.946 20 30 DCEDRP C=CCNC(NCc1ccnc(N2CC[NH+](C)CC2)c1)=[NH+]C ZINC000263107231 526386994 /nfs/dbraw/zinc/38/69/94/526386994.db2.gz DBRBOKDKUOWOAO-UHFFFAOYSA-N 2 0 302.426 0.684 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000364097048 526920587 /nfs/dbraw/zinc/92/05/87/526920587.db2.gz RFEDQEMGNSDANZ-IRXDYDNUSA-N 2 0 319.449 0.389 20 30 DCEDRP CC(C)[NH+]=C(NCC(=O)N(C)C)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000185520761 527383977 /nfs/dbraw/zinc/38/39/77/527383977.db2.gz BNQCNVSYPTWOIK-OAHLLOKOSA-N 2 0 323.485 0.846 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000672357398 547354293 /nfs/dbraw/zinc/35/42/93/547354293.db2.gz ZLFKBYLIQKUWIF-HNNXBMFYSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC000978643945 660579481 /nfs/dbraw/zinc/57/94/81/660579481.db2.gz YUFMRYFMFBICCM-WCXIOVBPSA-N 2 0 321.465 0.966 20 30 DCEDRP C#CCN1CC([C@@H](C)NC(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC000970420513 657486601 /nfs/dbraw/zinc/48/66/01/657486601.db2.gz PJHBIVYPLKYVCB-TZMCWYRMSA-N 2 0 300.406 0.824 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001023374312 657797771 /nfs/dbraw/zinc/79/77/71/657797771.db2.gz MPCYCLPNLUUMQV-HNNXBMFYSA-N 2 0 317.437 0.520 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001023447344 657875155 /nfs/dbraw/zinc/87/51/55/657875155.db2.gz LMSLBWAANCUEGI-GJZGRUSLSA-N 2 0 300.406 0.907 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]C[C@@H]3CCOC3)C2)CC1 ZINC000970792805 657910323 /nfs/dbraw/zinc/91/03/23/657910323.db2.gz XHQDDFBAFGRQMN-DOTOQJQBSA-N 2 0 319.449 0.559 20 30 DCEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031856580 665656942 /nfs/dbraw/zinc/65/69/42/665656942.db2.gz CSRMCJPTWSYNLQ-HQVVEAJESA-N 2 0 319.449 0.864 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+]([C@H](C)COC)C2)CC1 ZINC001009629009 659439366 /nfs/dbraw/zinc/43/93/66/659439366.db2.gz QZGCKQXDKIEXRE-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP C[NH+]=C(NCC(=O)N1CCCCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261747847 661613387 /nfs/dbraw/zinc/61/33/87/661613387.db2.gz LNAIIWKZYJODKR-DZGCQCFKSA-N 2 0 321.469 0.647 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001028643494 661716215 /nfs/dbraw/zinc/71/62/15/661716215.db2.gz OVLPZKFGUPNOQW-CABCVRRESA-N 2 0 300.406 0.907 20 30 DCEDRP C=CC[N@H+]1CC[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001028857346 661852863 /nfs/dbraw/zinc/85/28/63/661852863.db2.gz WYQLFFKRPALMPO-CQSZACIVSA-N 2 0 305.426 0.682 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001029001781 661929372 /nfs/dbraw/zinc/92/93/72/661929372.db2.gz CBTBHAZPBAKCBR-INIZCTEOSA-N 2 0 301.434 0.793 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000896568549 662293366 /nfs/dbraw/zinc/29/33/66/662293366.db2.gz NYDYFWQRZXDCIX-GOEBONIOSA-N 2 0 306.454 0.082 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC1=CC[N@H+]([C@@H](C)COC)CC1 ZINC001000786938 665935047 /nfs/dbraw/zinc/93/50/47/665935047.db2.gz DIWCYAHVMVCQAM-RDJZCZTQSA-N 2 0 319.449 0.867 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000900733025 663277012 /nfs/dbraw/zinc/27/70/12/663277012.db2.gz QNUVXOTUIVESKD-MRXNPFEDSA-N 2 0 324.469 0.017 20 30 DCEDRP C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001000974698 665969350 /nfs/dbraw/zinc/96/93/50/665969350.db2.gz DGHGRDHSUYUMSH-PQUAAJSLSA-N 2 0 315.417 0.231 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000941345358 665978424 /nfs/dbraw/zinc/97/84/24/665978424.db2.gz SPMIIZZIVNLPIC-INIZCTEOSA-N 2 0 306.454 0.485 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000908435351 663755170 /nfs/dbraw/zinc/75/51/70/663755170.db2.gz FIAWBMJVCIIMCQ-UHFFFAOYSA-N 2 0 308.470 0.474 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991357387 664120551 /nfs/dbraw/zinc/12/05/51/664120551.db2.gz FGZCHMLFOPMTRF-KONPQCLYSA-N 2 0 319.449 0.842 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000941566715 666023969 /nfs/dbraw/zinc/02/39/69/666023969.db2.gz KPVLVWTZBZQBFN-MRXNPFEDSA-N 2 0 320.481 0.733 20 30 DCEDRP C#CC[N@H+]1CC=C(CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001001253521 666024019 /nfs/dbraw/zinc/02/40/19/666024019.db2.gz XSWALQMFIRDIOI-UHFFFAOYSA-N 2 0 315.421 0.440 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941639806 666033217 /nfs/dbraw/zinc/03/32/17/666033217.db2.gz ZBFXAHSKOOQQFX-INIZCTEOSA-N 2 0 320.481 0.733 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC1CC[NH+](CCOC)CC1 ZINC001001488865 666060377 /nfs/dbraw/zinc/06/03/77/666060377.db2.gz IDZNQUPCBQPKMD-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCN(C(=O)N[C@H]1CCn2ccnc2C1)C1CC[NH+](C)CC1 ZINC000922076593 666246136 /nfs/dbraw/zinc/24/61/36/666246136.db2.gz INHKFJUCAHYESU-AWEZNQCLSA-N 2 0 315.421 0.937 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](C[C@H](CC)OC)C2)CC1 ZINC001032207294 666444275 /nfs/dbraw/zinc/44/42/75/666444275.db2.gz LLXGHBSFTHKNHF-KRWDZBQOSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033280055 666659923 /nfs/dbraw/zinc/65/99/23/666659923.db2.gz ZVFACSLYXBREGT-BNQMIIOLSA-N 2 0 317.433 0.406 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CCCO)C2)CC1 ZINC001033683416 666794542 /nfs/dbraw/zinc/79/45/42/666794542.db2.gz HAXGWEPNWRCALK-MRXNPFEDSA-N 2 0 307.438 0.247 20 30 DCEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1(C)C ZINC000996623610 666836991 /nfs/dbraw/zinc/83/69/91/666836991.db2.gz NWFBDCUHPMEUQT-CABCVRRESA-N 2 0 309.454 0.967 20 30 DCEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CN(C)CCO2)CC1 ZINC000997530940 667322870 /nfs/dbraw/zinc/32/28/70/667322870.db2.gz LPOHWRUUBDGQJB-GOEBONIOSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)CC2 ZINC001035706363 667402421 /nfs/dbraw/zinc/40/24/21/667402421.db2.gz NITPSCYQEFSRBY-MRXNPFEDSA-N 2 0 301.434 0.886 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC001036034829 667421805 /nfs/dbraw/zinc/42/18/05/667421805.db2.gz CNESKRUANQGKLQ-GJZGRUSLSA-N 2 0 317.437 0.518 20 30 DCEDRP C=CCN(C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCS(=O)(=O)C1 ZINC000923308731 667504144 /nfs/dbraw/zinc/50/41/44/667504144.db2.gz FTZDPOGIQVBGBR-STQMWFEESA-N 2 0 300.424 0.040 20 30 DCEDRP C=CCN(C[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCS(=O)(=O)C1 ZINC000923308730 667504245 /nfs/dbraw/zinc/50/42/45/667504245.db2.gz FTZDPOGIQVBGBR-QWHCGFSZSA-N 2 0 300.424 0.040 20 30 DCEDRP C[C@@H]1C[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[N@@H+]1C1CC1 ZINC000884233319 667506500 /nfs/dbraw/zinc/50/65/00/667506500.db2.gz NZCIRSYQRDXSAB-TUFIUFKWSA-N 2 0 302.422 0.867 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000884643050 667581172 /nfs/dbraw/zinc/58/11/72/667581172.db2.gz VWSLAXYYAQFLHY-CQSZACIVSA-N 2 0 308.426 0.093 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CC)[C@@H]2CC[NH2+]C2)CC1 ZINC000884642238 667581306 /nfs/dbraw/zinc/58/13/06/667581306.db2.gz DTPUPTIFXYRXIP-OAHLLOKOSA-N 2 0 322.453 0.354 20 30 DCEDRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCO1 ZINC000876543916 668463332 /nfs/dbraw/zinc/46/33/32/668463332.db2.gz OXLNXSGDDNBTKP-KNXALSJPSA-N 2 0 314.389 0.320 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCCC[N@H+]1C)CCO2 ZINC000949123402 670264849 /nfs/dbraw/zinc/26/48/49/670264849.db2.gz ANPSRTXZOUVXTD-MRXNPFEDSA-N 2 0 319.449 0.797 20 30 DCEDRP C#CCN1CCOC2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000949472620 670349197 /nfs/dbraw/zinc/34/91/97/670349197.db2.gz JOIQYFRGCGBYFB-INIZCTEOSA-N 2 0 319.449 0.797 20 30 DCEDRP C#CCO[C@H](C)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000822952760 671356971 /nfs/dbraw/zinc/35/69/71/671356971.db2.gz YBVNYMILMBXLFD-HZPDHXFCSA-N 2 0 309.454 0.899 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000834494541 671765024 /nfs/dbraw/zinc/76/50/24/671765024.db2.gz NYDJBXFCHFZYPN-ARFHVFGLSA-N 2 0 313.405 0.521 20 30 DCEDRP C[NH+]=C(NCCN1CCOCC1)NCC[NH+]1CCC(C)CC1 ZINC000303880093 685208676 /nfs/dbraw/zinc/20/86/76/685208676.db2.gz GYRHSZKANPFWKO-UHFFFAOYSA-N 2 0 311.474 0.216 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000303981580 685209625 /nfs/dbraw/zinc/20/96/25/685209625.db2.gz PHEXJGWILQSQKX-CABCVRRESA-N 3 0 310.490 0.011 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214373 687446606 /nfs/dbraw/zinc/44/66/06/687446606.db2.gz GNSVWRBWFPGBQA-LSDHHAIUSA-N 2 0 305.422 0.047 20 30 DCEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC000958266666 687495537 /nfs/dbraw/zinc/49/55/37/687495537.db2.gz BBNDSHCQQAAUCC-UKRRQHHQSA-N 2 0 300.362 0.543 20 30 DCEDRP C=CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000958481144 687694382 /nfs/dbraw/zinc/69/43/82/687694382.db2.gz NLOYMNMPMWNZBJ-IRXDYDNUSA-N 2 0 317.433 0.957 20 30 DCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760772 694661279 /nfs/dbraw/zinc/66/12/79/694661279.db2.gz NEZXMJKSGFIZRM-HZPDHXFCSA-N 2 0 317.433 0.407 20 30 DCEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760948 694661499 /nfs/dbraw/zinc/66/14/99/694661499.db2.gz WGYHBRCYBMZVQM-HOTGVXAUSA-N 2 0 317.433 0.407 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001073605154 694750153 /nfs/dbraw/zinc/75/01/53/694750153.db2.gz BTMHCLUEBSHHLT-SJORKVTESA-N 2 0 319.449 0.559 20 30 DCEDRP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001076987209 695118406 /nfs/dbraw/zinc/11/84/06/695118406.db2.gz GTICDSQTXFZQQF-BZUAXINKSA-N 2 0 309.454 0.987 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001570496340 1162531804 /nfs/dbraw/zinc/53/18/04/1162531804.db2.gz RVSAZTMIFMEZNG-MRXNPFEDSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C[NH2+]CCOC)C2CC2)CC1 ZINC001571373616 1162722049 /nfs/dbraw/zinc/72/20/49/1162722049.db2.gz KVPLWDRETXYEPI-QGZVFWFLSA-N 2 0 321.465 0.805 20 30 DCEDRP CC#CC[NH2+][C@H](CO)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001571440532 1162756472 /nfs/dbraw/zinc/75/64/72/1162756472.db2.gz DIOQROZSUPJPAC-XJKSGUPXSA-N 2 0 313.417 0.289 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC#CC)C[C@H]2C)CC1 ZINC001571492385 1162782223 /nfs/dbraw/zinc/78/22/23/1162782223.db2.gz CPPDFBIOYMQUPS-WBVHZDCISA-N 2 0 301.434 0.934 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001571542376 1162802186 /nfs/dbraw/zinc/80/21/86/1162802186.db2.gz NPABWOYYGBXAGY-CVEARBPZSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001571606746 1162857459 /nfs/dbraw/zinc/85/74/59/1162857459.db2.gz UQMKQCORBVIYSR-CVEARBPZSA-N 2 0 309.454 0.635 20 30 DCEDRP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001772513512 1157397824 /nfs/dbraw/zinc/39/78/24/1157397824.db2.gz AFJQAXDCRSLOKO-HNNXBMFYSA-N 2 0 311.470 0.739 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CC#CCOC)C1 ZINC001753875152 1158079903 /nfs/dbraw/zinc/07/99/03/1158079903.db2.gz FZFQLWSASZGEFH-IRXDYDNUSA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001752810785 1158246756 /nfs/dbraw/zinc/24/67/56/1158246756.db2.gz YJENUADQPRSKCJ-MRXNPFEDSA-N 2 0 319.449 0.560 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001566773547 1160148593 /nfs/dbraw/zinc/14/85/93/1160148593.db2.gz KUTCZGDXUNUMEA-RDBSUJKOSA-N 2 0 310.442 0.208 20 30 DCEDRP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001566792044 1160154179 /nfs/dbraw/zinc/15/41/79/1160154179.db2.gz WYRCAAITNKYSAK-BZUAXINKSA-N 2 0 307.438 0.768 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001566793681 1160154817 /nfs/dbraw/zinc/15/48/17/1160154817.db2.gz XHBLZNMPVMFDFX-JOCQHMNTSA-N 2 0 308.426 0.010 20 30 DCEDRP C=CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001567088570 1160235617 /nfs/dbraw/zinc/23/56/17/1160235617.db2.gz PODRUMIPJLOQFS-OAHLLOKOSA-N 2 0 324.469 0.457 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001567735973 1160469021 /nfs/dbraw/zinc/46/90/21/1160469021.db2.gz HWDORIDRKHEOFU-INIZCTEOSA-N 2 0 321.465 0.758 20 30 DCEDRP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001569693722 1161197288 /nfs/dbraw/zinc/19/72/88/1161197288.db2.gz JQHBYLNKLGAOSP-NVXWUHKLSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001569755972 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ZINC001713234847 1180731163 /nfs/dbraw/zinc/73/11/63/1180731163.db2.gz WNELEIJTDWFMGH-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001713288102 1180752832 /nfs/dbraw/zinc/75/28/32/1180752832.db2.gz FCDDANIAUOSWAX-YMAMQOFZSA-N 2 0 322.453 0.093 20 30 DCEDRP C#CC[N@H+]1CC[C@H](CCNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001713728694 1181031886 /nfs/dbraw/zinc/03/18/86/1181031886.db2.gz QYYBRTURQHFZHT-HNNXBMFYSA-N 2 0 317.437 0.520 20 30 DCEDRP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001714049784 1181226251 /nfs/dbraw/zinc/22/62/51/1181226251.db2.gz KRBNBTCAABZPKX-SJORKVTESA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2cc(C)no2)CC1 ZINC001714309297 1181315541 /nfs/dbraw/zinc/31/55/41/1181315541.db2.gz NYHQMMYLMRNPEY-AWEZNQCLSA-N 2 0 318.421 0.923 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001714604687 1181435006 /nfs/dbraw/zinc/43/50/06/1181435006.db2.gz CZPBYQXWRMZPHZ-ZBFHGGJFSA-N 2 0 307.438 0.415 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001714631685 1181451597 /nfs/dbraw/zinc/45/15/97/1181451597.db2.gz HSPYQBAXUHDSJP-RBSFLKMASA-N 2 0 322.453 0.067 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](CC#CCOC)C2)CC[N@@H+]1C ZINC001714637388 1181456099 /nfs/dbraw/zinc/45/60/99/1181456099.db2.gz WVQFQHBBMFUWBY-IXDOHACOSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001715333512 1181777639 /nfs/dbraw/zinc/77/76/39/1181777639.db2.gz AGGUXLOQHYUVBB-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001715493943 1181829574 /nfs/dbraw/zinc/82/95/74/1181829574.db2.gz LMAVHGKBFRPCON-BZUAXINKSA-N 2 0 309.454 0.707 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001716061706 1182168880 /nfs/dbraw/zinc/16/88/80/1182168880.db2.gz AMYQZQKIBUNATJ-RDJZCZTQSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001716255102 1182278868 /nfs/dbraw/zinc/27/88/68/1182278868.db2.gz HQWYYQPMMCYHBB-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC#CCOC)C1CC1 ZINC001716632010 1182471069 /nfs/dbraw/zinc/47/10/69/1182471069.db2.gz SLVZTRZJQRPSTN-SJORKVTESA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([C@H](C)[NH2+]CCCO)C2)CC1 ZINC001716975276 1182608032 /nfs/dbraw/zinc/60/80/32/1182608032.db2.gz KZGNUMVQHNNEFQ-RDJZCZTQSA-N 2 0 321.465 0.541 20 30 DCEDRP C[N@H+](CC(=O)NCC[NH+]1CCC(NCC#N)CC1)CC(C)(C)C ZINC001717017827 1182625102 /nfs/dbraw/zinc/62/51/02/1182625102.db2.gz NWYPGRWMKKYBLV-UHFFFAOYSA-N 2 0 323.485 0.658 20 30 DCEDRP C#CCNC(=O)CN(C)C[C@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001717375000 1182807417 /nfs/dbraw/zinc/80/74/17/1182807417.db2.gz YFYMHRBMDKZRBP-OAHLLOKOSA-N 2 0 322.453 0.000 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001717392598 1182817610 /nfs/dbraw/zinc/81/76/10/1182817610.db2.gz JDPUAKQPBAZHSY-NFOMZHRRSA-N 2 0 322.453 0.257 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001717394092 1182818184 /nfs/dbraw/zinc/81/81/84/1182818184.db2.gz XQEPAZNVWMLPEU-NFOMZHRRSA-N 2 0 322.453 0.115 20 30 DCEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001717918385 1183059290 /nfs/dbraw/zinc/05/92/90/1183059290.db2.gz KQNHBZVYEIMGHP-JKSUJKDBSA-N 2 0 307.438 0.436 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001722992182 1184242614 /nfs/dbraw/zinc/24/26/14/1184242614.db2.gz TUJHYGFUZFJNAU-LSDHHAIUSA-N 2 0 322.453 0.306 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001723970464 1184365442 /nfs/dbraw/zinc/36/54/42/1184365442.db2.gz HOZSFIIXLBRVGB-JKSUJKDBSA-N 2 0 309.454 0.803 20 30 DCEDRP C[NH+](C)CC1(C(=O)NCC[NH+]2CCC(NCC#N)CC2)CC1 ZINC001724628968 1184480264 /nfs/dbraw/zinc/48/02/64/1184480264.db2.gz DSHOWBOKMXBLHW-UHFFFAOYSA-N 2 0 307.442 0.022 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001724985102 1184644933 /nfs/dbraw/zinc/64/49/33/1184644933.db2.gz DPZQFKOZHUCJII-CVEARBPZSA-N 2 0 321.465 0.683 20 30 DCEDRP COCC#CC[NH2+]CC1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001725068503 1184675159 /nfs/dbraw/zinc/67/51/59/1184675159.db2.gz VQFFDZMSEKLFRD-UHFFFAOYSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001731364211 1185297339 /nfs/dbraw/zinc/29/73/39/1185297339.db2.gz CAIQBEWMHFOTNI-IRXDYDNUSA-N 2 0 320.481 0.616 20 30 DCEDRP C#CC[NH+]1CCC(CCNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001732324370 1185765605 /nfs/dbraw/zinc/76/56/05/1185765605.db2.gz ADSLTDHCTDYAHK-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001733172577 1186169148 /nfs/dbraw/zinc/16/91/48/1186169148.db2.gz HCVUWKZMUMIJTI-IAGOWNOFSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@](C)(C[NH2+]CCO)C2)CC1 ZINC001733446353 1186273958 /nfs/dbraw/zinc/27/39/58/1186273958.db2.gz VXZPBUGYXLBAMG-QGZVFWFLSA-N 2 0 307.438 0.152 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CCOCC1 ZINC001733471248 1186281192 /nfs/dbraw/zinc/28/11/92/1186281192.db2.gz QVESKUQKNICDRE-UHFFFAOYSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CC[C@@](O)(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001733485692 1186294322 /nfs/dbraw/zinc/29/43/22/1186294322.db2.gz UTQWMWFAYYGGDE-GOSISDBHSA-N 2 0 321.465 0.826 20 30 DCEDRP C#CC[N@H+]1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001733486232 1186294979 /nfs/dbraw/zinc/29/49/79/1186294979.db2.gz GJIYNONFPITBAV-GOSISDBHSA-N 2 0 321.465 0.685 20 30 DCEDRP C=CCC[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001733495765 1186304365 /nfs/dbraw/zinc/30/43/65/1186304365.db2.gz PYWVWKWEXCXBAS-KRWDZBQOSA-N 2 0 309.454 0.847 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001733533228 1186324704 /nfs/dbraw/zinc/32/47/04/1186324704.db2.gz IQNLHTWYTJWTHP-JKSUJKDBSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CC[NH2+]CC1CC(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001733951859 1186507457 /nfs/dbraw/zinc/50/74/57/1186507457.db2.gz UHPXJYWBKMPPAU-UHFFFAOYSA-N 2 0 309.373 0.999 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001734173856 1186567881 /nfs/dbraw/zinc/56/78/81/1186567881.db2.gz KMNOGYUTCBRCHV-LUKYLMHMSA-N 2 0 321.465 0.825 20 30 DCEDRP CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001734185711 1186572690 /nfs/dbraw/zinc/57/26/90/1186572690.db2.gz XOYURJULEJQZNQ-HUUCEWRRSA-N 2 0 305.422 0.311 20 30 DCEDRP CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001734185712 1186572923 /nfs/dbraw/zinc/57/29/23/1186572923.db2.gz XOYURJULEJQZNQ-LSDHHAIUSA-N 2 0 305.422 0.311 20 30 DCEDRP COCC#CC[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001734252312 1186592926 /nfs/dbraw/zinc/59/29/26/1186592926.db2.gz GTCZAVZYIOEPJX-HOTGVXAUSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001734294734 1186608903 /nfs/dbraw/zinc/60/89/03/1186608903.db2.gz FOTMZAAOSRAOLI-GJZGRUSLSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001734424897 1186650125 /nfs/dbraw/zinc/65/01/25/1186650125.db2.gz LUULYTIXZBOYNK-GDBMZVCRSA-N 2 0 317.437 0.661 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001734481616 1186663420 /nfs/dbraw/zinc/66/34/20/1186663420.db2.gz QEYKCQLMZZWQDJ-NVXWUHKLSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(CC[N@H+](C)CCO)C(C)C)CC1 ZINC001734553681 1186688884 /nfs/dbraw/zinc/68/88/84/1186688884.db2.gz VUVMEXZMRRXJDI-UHFFFAOYSA-N 2 0 309.454 0.493 20 30 DCEDRP CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC#CCOC ZINC001753474045 1188605606 /nfs/dbraw/zinc/60/56/06/1188605606.db2.gz RAGZWSODWQYGOQ-HZPDHXFCSA-N 2 0 307.438 0.462 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@H](C)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001753642575 1188628582 /nfs/dbraw/zinc/62/85/82/1188628582.db2.gz FWLZXVDXCLBEQE-LSDHHAIUSA-N 2 0 322.453 0.211 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001754295845 1188812207 /nfs/dbraw/zinc/81/22/07/1188812207.db2.gz PDGQCLIWIWPDMU-INIZCTEOSA-N 2 0 309.454 0.997 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001754761884 1188927464 /nfs/dbraw/zinc/92/74/64/1188927464.db2.gz FFKYCZVULBRISZ-QGZVFWFLSA-N 2 0 307.438 0.439 20 30 DCEDRP C#CCC[NH2+]C1CCN(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001754850152 1188948541 /nfs/dbraw/zinc/94/85/41/1188948541.db2.gz VSRBSOQMVTWNJE-INIZCTEOSA-N 2 0 320.481 0.522 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)[C@@H](CC)[NH+](CC)CC)CCOCC1 ZINC001755099281 1189022904 /nfs/dbraw/zinc/02/29/04/1189022904.db2.gz XWJAXNRUUHEHGT-OAHLLOKOSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001755391169 1189100526 /nfs/dbraw/zinc/10/05/26/1189100526.db2.gz GTXRQNDXWJRIRY-LSDHHAIUSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CC[N@H+](C)CCOCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001755544051 1189143808 /nfs/dbraw/zinc/14/38/08/1189143808.db2.gz IEMXEAIIZIVCNN-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP CCC[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001755644643 1189173114 /nfs/dbraw/zinc/17/31/14/1189173114.db2.gz ASDAXSZQQMMKKB-KRWDZBQOSA-N 2 0 317.433 0.447 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001755796027 1189218187 /nfs/dbraw/zinc/21/81/87/1189218187.db2.gz MXSMYGSJLWLFGQ-KRWDZBQOSA-N 2 0 317.433 0.794 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[N@@H+](C)CCC)CC1 ZINC001755807563 1189225701 /nfs/dbraw/zinc/22/57/01/1189225701.db2.gz ILJYRWNUOFZWDJ-MRXNPFEDSA-N 2 0 309.454 0.493 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107040053 751789517 /nfs/dbraw/zinc/78/95/17/751789517.db2.gz BJWZONGJUHXKPS-HZPDHXFCSA-N 2 0 309.454 0.661 20 30 DCEDRP COCC#CC[NH2+]CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001206875149 747009295 /nfs/dbraw/zinc/00/92/95/747009295.db2.gz XRVZJVCMAYQJCG-UHFFFAOYSA-N 2 0 319.449 0.560 20 30 DCEDRP C#CC[NH2+]CC1(CCNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001167563285 747382451 /nfs/dbraw/zinc/38/24/51/747382451.db2.gz HITVBMBHFFUSPP-UHFFFAOYSA-N 2 0 307.438 0.607 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001083275558 747710785 /nfs/dbraw/zinc/71/07/85/747710785.db2.gz KUFKKZHHCWZFAH-JKSUJKDBSA-N 2 0 307.438 0.960 20 30 DCEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CN(C(C)C)CCO2)C[C@H]1C ZINC001104582367 747793847 /nfs/dbraw/zinc/79/38/47/747793847.db2.gz XLESPLZHCFOESZ-BRWVUGGUSA-N 2 0 321.465 0.803 20 30 DCEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H](CC)[NH+](C)C)C2)nn1 ZINC001105328783 748139720 /nfs/dbraw/zinc/13/97/20/748139720.db2.gz VXPQPSUEFNMFRJ-HNNXBMFYSA-N 2 0 318.425 0.115 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001098462071 761944697 /nfs/dbraw/zinc/94/46/97/761944697.db2.gz FQGJUYLPPRZVPV-UHFFFAOYSA-N 2 0 321.465 0.637 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430120 752888811 /nfs/dbraw/zinc/88/88/11/752888811.db2.gz BCKGNNMSGSESMM-ARFHVFGLSA-N 2 0 307.438 0.700 20 30 DCEDRP C=C(C)C[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001046010129 753412446 /nfs/dbraw/zinc/41/24/46/753412446.db2.gz JALBDZPRZPLNOC-DLBZAZTESA-N 2 0 320.481 0.875 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046010071 753412699 /nfs/dbraw/zinc/41/26/99/753412699.db2.gz HSSUCKWYKUFPFH-IRXDYDNUSA-N 2 0 318.465 0.322 20 30 DCEDRP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001046037596 753440469 /nfs/dbraw/zinc/44/04/69/753440469.db2.gz UFYJFJBZUKLENV-IRXDYDNUSA-N 2 0 322.497 0.977 20 30 DCEDRP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001046064347 753458727 /nfs/dbraw/zinc/45/87/27/753458727.db2.gz LKNCGBWXKQQODZ-IAGOWNOFSA-N 2 0 320.481 0.733 20 30 DCEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833583 753963622 /nfs/dbraw/zinc/96/36/22/753963622.db2.gz KCHARBJJVXZZSL-CVEARBPZSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCOC)C2)CC1 ZINC001046849812 753979612 /nfs/dbraw/zinc/97/96/12/753979612.db2.gz JKXMKJIHKFSOKQ-QGZVFWFLSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCO)C2)CC1 ZINC001072095018 762352642 /nfs/dbraw/zinc/35/26/42/762352642.db2.gz DZJDDCHFCOTPED-ZBFHGGJFSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@H]2C)CC1 ZINC001080998120 756417459 /nfs/dbraw/zinc/41/74/59/756417459.db2.gz SZIWDTQFPBHPAD-IJEWVQPXSA-N 2 0 307.438 0.149 20 30 DCEDRP CC1([NH3+])CN(C(=O)[C@H](c2ccc(C#N)cc2)N2CC[NH2+]CC2)C1 ZINC001157650906 762475845 /nfs/dbraw/zinc/47/58/45/762475845.db2.gz HCFKHIZMJVCITA-HNNXBMFYSA-N 2 0 313.405 0.064 20 30 DCEDRP C#CC[NH2+][C@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC001054893583 756667680 /nfs/dbraw/zinc/66/76/80/756667680.db2.gz JHGUISXAZGQYEY-BBRMVZONSA-N 2 0 309.373 0.951 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090392913 757376057 /nfs/dbraw/zinc/37/60/57/757376057.db2.gz XMPSZHVZZTZIKF-LSDHHAIUSA-N 2 0 305.422 0.190 20 30 DCEDRP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C1 ZINC001083086023 757486140 /nfs/dbraw/zinc/48/61/40/757486140.db2.gz ZRIXUDPWYZFTEN-LVQVYYBASA-N 2 0 305.422 0.262 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001098405992 759697799 /nfs/dbraw/zinc/69/77/99/759697799.db2.gz ALJWZDXBKCYDCH-KRWDZBQOSA-N 2 0 321.465 0.779 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001086222034 759862540 /nfs/dbraw/zinc/86/25/40/759862540.db2.gz XENBYXYMFRGKGO-OTVXOJSOSA-N 2 0 303.410 0.176 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100124268 760441174 /nfs/dbraw/zinc/44/11/74/760441174.db2.gz FUMHUZSYVNTQMM-HZPDHXFCSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001070435234 761236534 /nfs/dbraw/zinc/23/65/34/761236534.db2.gz AFEPOKCUCDYEQD-ZIAGYGMSSA-N 2 0 317.437 0.953 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070563707 761318478 /nfs/dbraw/zinc/31/84/78/761318478.db2.gz HPIWJJOAFNFJGP-IJEWVQPXSA-N 2 0 317.437 0.442 20 30 DCEDRP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@@H](C)O2 ZINC001071227224 761724270 /nfs/dbraw/zinc/72/42/70/761724270.db2.gz BEBRBZCLTBPNLP-QAPCUYQASA-N 2 0 319.449 0.960 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1cnccn1 ZINC001129770270 763007565 /nfs/dbraw/zinc/00/75/65/763007565.db2.gz DGLXTUWSPXJRDJ-ZFWWWQNUSA-N 2 0 301.394 0.341 20 30 DCEDRP C=C(Cl)CN1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879612 763095673 /nfs/dbraw/zinc/09/56/73/763095673.db2.gz MYOVBRGDEHJNBM-KBPBESRZSA-N 2 0 315.845 0.775 20 30 DCEDRP C=CCOCC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099974814 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307.438 0.603 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001100635788 763694584 /nfs/dbraw/zinc/69/45/84/763694584.db2.gz GRGCLJIONXMRRJ-UHFFFAOYSA-N 2 0 322.453 0.115 20 30 DCEDRP COCC#CCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001132426152 764453128 /nfs/dbraw/zinc/45/31/28/764453128.db2.gz SMIVBXSRYJIPSR-CVEARBPZSA-N 2 0 319.449 0.701 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102488939 764663570 /nfs/dbraw/zinc/66/35/70/764663570.db2.gz NMJJKVWMBLIMSB-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC#CCOC)C[C@H]1C ZINC001102496052 764669275 /nfs/dbraw/zinc/66/92/75/764669275.db2.gz AOQJNZZNNMGRGL-HZPDHXFCSA-N 2 0 309.454 0.662 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001115000642 765549218 /nfs/dbraw/zinc/54/92/18/765549218.db2.gz JPXOYQRJVXAMDW-TTZDDIAXSA-N 2 0 322.453 0.065 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C 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/nfs/dbraw/zinc/22/62/58/770226258.db2.gz IDBOSCKRNRNKHO-OAHLLOKOSA-N 2 0 309.454 0.589 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[NH+](CC)CC)[C@H]1C ZINC001179744554 771009606 /nfs/dbraw/zinc/00/96/06/771009606.db2.gz VUNHZRSUIGKHEQ-KKUMJFAQSA-N 2 0 324.469 0.598 20 30 DCEDRP C=C(Cl)C[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001158275587 771751562 /nfs/dbraw/zinc/75/15/62/771751562.db2.gz ZKDUMOYFGULIBC-UHFFFAOYSA-N 2 0 313.833 0.907 20 30 DCEDRP C#CC[C@]1(C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)CCC[NH2+]1 ZINC001158544362 771787818 /nfs/dbraw/zinc/78/78/18/771787818.db2.gz DKCVAPINFXQTEW-MUIFIZLQSA-N 2 0 303.406 0.111 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185385196 771909116 /nfs/dbraw/zinc/90/91/16/771909116.db2.gz LZQRAWOIGGNUKB-UKRRQHHQSA-N 2 0 322.453 0.209 20 30 DCEDRP C[C@H](Nc1ncc2c(c1C#N)CCC[NH2+]C2)[C@@H]1C[NH2+]CCO1 ZINC001159488475 771917839 /nfs/dbraw/zinc/91/78/39/771917839.db2.gz DKCGAVXGCLFJMA-NHYWBVRUSA-N 2 0 301.394 0.778 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001160273426 772017395 /nfs/dbraw/zinc/01/73/95/772017395.db2.gz MLRGZGUECOACAI-CABCVRRESA-N 2 0 324.469 0.647 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC12CCOCC2 ZINC001186481088 772044801 /nfs/dbraw/zinc/04/48/01/772044801.db2.gz JLVHHHUIVQTRES-OAHLLOKOSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC12CCOCC2 ZINC001186553764 772054018 /nfs/dbraw/zinc/05/40/18/772054018.db2.gz VLOGGPIAVVKSCH-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001188139643 772270810 /nfs/dbraw/zinc/27/08/10/772270810.db2.gz QPPPWEZSRFNFCO-UONOGXRCSA-N 2 0 310.442 0.208 20 30 DCEDRP CC#CC[NH+]1CCC(CNC(=O)C[NH+]2CCCC2)(COC)CC1 ZINC001162604283 772397256 /nfs/dbraw/zinc/39/72/56/772397256.db2.gz PDXQDHAELUFYIT-UHFFFAOYSA-N 2 0 321.465 0.950 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)CC#CCOC)C2)CC[N@@H+]1C ZINC001190247344 772610458 /nfs/dbraw/zinc/61/04/58/772610458.db2.gz OUGNQJUTBIUXCK-YESZJQIVSA-N 2 0 321.465 0.899 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001166751001 772855839 /nfs/dbraw/zinc/85/58/39/772855839.db2.gz PGXMQCBUBZTQIP-AWEZNQCLSA-N 2 0 324.469 0.198 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001203714980 772920833 /nfs/dbraw/zinc/92/08/33/772920833.db2.gz WMLZUUJRALIFLO-AWEZNQCLSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001192788011 772958306 /nfs/dbraw/zinc/95/83/06/772958306.db2.gz KICYTAFDKHTVCA-INIZCTEOSA-N 2 0 317.437 0.614 20 30 DCEDRP CC#CCN1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001193102332 773005062 /nfs/dbraw/zinc/00/50/62/773005062.db2.gz HRSHTKBSMHNNRS-RRFJBIMHSA-N 2 0 318.421 0.581 20 30 DCEDRP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001193507419 773075955 /nfs/dbraw/zinc/07/59/55/773075955.db2.gz WOSWMJICYDJQSN-BZUAXINKSA-N 2 0 309.454 0.988 20 30 DCEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193821508 773116551 /nfs/dbraw/zinc/11/65/51/773116551.db2.gz LRSAIKLVHGHNGI-NUEKZKHPSA-N 2 0 309.454 0.987 20 30 DCEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001194026339 773140258 /nfs/dbraw/zinc/14/02/58/773140258.db2.gz CJENCOUHPZSNSR-HZPDHXFCSA-N 2 0 307.438 0.511 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209314021 773590360 /nfs/dbraw/zinc/59/03/60/773590360.db2.gz GNAUFACYNUYGQZ-LSDHHAIUSA-N 2 0 324.469 0.600 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001210297159 773695951 /nfs/dbraw/zinc/69/59/51/773695951.db2.gz CFWNTUJLCMBXQT-OWCLPIDISA-N 2 0 307.438 0.415 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210750932 773734433 /nfs/dbraw/zinc/73/44/33/773734433.db2.gz OVRGTGAPGIUGDL-HNNXBMFYSA-N 2 0 324.469 0.601 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211046245 773762534 /nfs/dbraw/zinc/76/25/34/773762534.db2.gz KTEUCKUUDKXPTI-BZUAXINKSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211284566 773790014 /nfs/dbraw/zinc/79/00/14/773790014.db2.gz MZOOMSXPVZIZGP-HUUCEWRRSA-N 2 0 322.453 0.045 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCOC)C[C@H]2C)CC1 ZINC001211307339 773792270 /nfs/dbraw/zinc/79/22/70/773792270.db2.gz UJFVJMVSHINOOV-NVXWUHKLSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001213458381 773850718 /nfs/dbraw/zinc/85/07/18/773850718.db2.gz VXSXTKFLJJHWSL-QLFBSQMISA-N 2 0 313.442 0.345 20 30 DCEDRP C=CCOCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1 ZINC001213678112 773873941 /nfs/dbraw/zinc/87/39/41/773873941.db2.gz FDMXSFKLFNNQHC-HUUCEWRRSA-N 2 0 313.442 0.346 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001214662187 774006096 /nfs/dbraw/zinc/00/60/96/774006096.db2.gz XLKJMKANBDGBOO-KBUPBQIOSA-N 2 0 322.453 0.065 20 30 DCEDRP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023541 774013299 /nfs/dbraw/zinc/01/32/99/774013299.db2.gz LYRQSEISTOYASA-HZPDHXFCSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184725 774047709 /nfs/dbraw/zinc/04/77/09/774047709.db2.gz PYYYAIJQWHGKFP-HCBPCCMXSA-N 2 0 319.449 0.862 20 30 DCEDRP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CCC ZINC001115156341 774215609 /nfs/dbraw/zinc/21/56/09/774215609.db2.gz MOQUDBNIXWIRDL-QLPKVWCKSA-N 2 0 309.454 0.967 20 30 DCEDRP N#Cc1cc2cccnc2nc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218541509 774241574 /nfs/dbraw/zinc/24/15/74/774241574.db2.gz ITXGGCKYMCPULO-CXAGYDPISA-N 2 0 322.372 0.639 20 30 DCEDRP N#Cc1c(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)sc2c1CC[NH2+]C2 ZINC001218551956 774245126 /nfs/dbraw/zinc/24/51/26/774245126.db2.gz ARDATNOAQAVPSD-NSHDSACASA-N 3 0 317.418 0.013 20 30 DCEDRP N#Cc1c(NC(=O)[C@H]2C[NH2+]C[C@@H](O)C2)sc2c1CC[NH2+]C2 ZINC001218553270 774245947 /nfs/dbraw/zinc/24/59/47/774245947.db2.gz OQMMCYHNGHVWGU-BDAKNGLRSA-N 2 0 306.391 0.174 20 30 DCEDRP C#CCC[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CCC)[C@H]2C1 ZINC001219004948 774346312 /nfs/dbraw/zinc/34/63/12/774346312.db2.gz XRZINVVKZMQCAE-JKSUJKDBSA-N 2 0 307.438 0.653 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200687412 774390286 /nfs/dbraw/zinc/39/02/86/774390286.db2.gz ARGWULROLWINQZ-CVEARBPZSA-N 2 0 307.438 0.557 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200805962 774411783 /nfs/dbraw/zinc/41/17/83/774411783.db2.gz NTCWKSKEHCAIGK-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CCCO1 ZINC001200866797 774421597 /nfs/dbraw/zinc/42/15/97/774421597.db2.gz XVIKMDMXSFEBSZ-IAGOWNOFSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001219661158 774573474 /nfs/dbraw/zinc/57/34/74/774573474.db2.gz XUXOZFYJCMMRPF-JJXSEGSLSA-N 2 0 309.454 0.844 20 30 DCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219769458 774602689 /nfs/dbraw/zinc/60/26/89/774602689.db2.gz XDYVEXWRUBWIQS-HOCLYGCPSA-N 2 0 304.369 0.636 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCCO[C@H](C[NH2+]CCC)C2)CC1 ZINC001202141071 774605910 /nfs/dbraw/zinc/60/59/10/774605910.db2.gz KMRRKJAFUKTMLB-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219813935 774617649 /nfs/dbraw/zinc/61/76/49/774617649.db2.gz LRSAIKLVHGHNGI-IMJJTQAJSA-N 2 0 309.454 0.987 20 30 DCEDRP N#CCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220191724 774727822 /nfs/dbraw/zinc/72/78/22/774727822.db2.gz OPRSUPBUSIKHLN-KBPBESRZSA-N 2 0 323.441 0.244 20 30 DCEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1c(C#N)cnn1C(=O)OC ZINC001220415227 774799904 /nfs/dbraw/zinc/79/99/04/774799904.db2.gz BNQSGNCIQQHHGN-JTQLQIEISA-N 2 0 308.342 0.025 20 30 DCEDRP CNC(CCCC[NH3+])=C(O)NC(=[NH2+])c1ccc(C(=O)OC)cc1 ZINC001220577152 774850278 /nfs/dbraw/zinc/85/02/78/774850278.db2.gz GBECURFAHSFGGD-ZDUSSCGKSA-N 2 0 320.393 0.422 20 30 DCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994087 774972469 /nfs/dbraw/zinc/97/24/69/774972469.db2.gz AOVDSRPJGREBEJ-CVEARBPZSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[NH+]1CCC(CNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001224536213 775578610 /nfs/dbraw/zinc/57/86/10/775578610.db2.gz JVRRFSZKDZYUMU-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111197980 775590319 /nfs/dbraw/zinc/59/03/19/775590319.db2.gz BVFRZTVPWNAYRI-OIISXLGYSA-N 2 0 319.449 0.842 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](C)C ZINC001228646202 776107816 /nfs/dbraw/zinc/10/78/16/776107816.db2.gz ASGHYBYKBRISGW-KFWWJZLASA-N 2 0 324.469 0.646 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](C)C ZINC001228660763 776110619 /nfs/dbraw/zinc/11/06/19/776110619.db2.gz IRBLONAASINWSS-KFWWJZLASA-N 2 0 322.453 0.093 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001229503562 776196239 /nfs/dbraw/zinc/19/62/39/776196239.db2.gz KUEOECFYWHXRFV-HUUCEWRRSA-N 2 0 324.469 0.647 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230262602 776271677 /nfs/dbraw/zinc/27/16/77/776271677.db2.gz JJGYJOAETPIEFN-UONOGXRCSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CN(CC)CCO1 ZINC001266247155 939026008 /nfs/dbraw/zinc/02/60/08/939026008.db2.gz DQOZMVRHWSNUQG-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCC[NH+]1CCN(CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001266265072 939034789 /nfs/dbraw/zinc/03/47/89/939034789.db2.gz UPSINRVEBLYTBA-IAGOWNOFSA-N 2 0 320.481 0.474 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001266295291 939056300 /nfs/dbraw/zinc/05/63/00/939056300.db2.gz ZWCWOODCZPUXGT-UHFFFAOYSA-N 2 0 320.481 0.475 20 30 DCEDRP C=C(C)CC[NH+]1CCN(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001266297685 939057381 /nfs/dbraw/zinc/05/73/81/939057381.db2.gz SLZGFXKWUVUDOL-UHFFFAOYSA-N 2 0 320.481 0.782 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)[C@@H](C)COC)CC1 ZINC001266440240 939119018 /nfs/dbraw/zinc/11/90/18/939119018.db2.gz LVPAFSYLXRJNSR-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001267295445 939417891 /nfs/dbraw/zinc/41/78/91/939417891.db2.gz WOLGHBGBLAZHCX-AWEZNQCLSA-N 2 0 322.453 0.211 20 30 DCEDRP COCC#CC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001267326824 939425410 /nfs/dbraw/zinc/42/54/10/939425410.db2.gz XUNRCHGFGNFZIU-UHFFFAOYSA-N 2 0 307.438 0.701 20 30 DCEDRP CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](CC#CCOC)C1)[NH+](C)C ZINC001267576839 939522472 /nfs/dbraw/zinc/52/24/72/939522472.db2.gz ZJJZYHHYXIHEJN-HOTGVXAUSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001481247688 939669736 /nfs/dbraw/zinc/66/97/36/939669736.db2.gz SZCFXBFMJWGAQI-KGLIPLIRSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCC[C@@H](C)O)C2)CC1 ZINC001318176870 945281504 /nfs/dbraw/zinc/28/15/04/945281504.db2.gz RQXDSLUQRGASFB-OAHLLOKOSA-N 2 0 321.465 0.541 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C ZINC001268217529 939994299 /nfs/dbraw/zinc/99/42/99/939994299.db2.gz ZEVFQEMBTIWZFJ-JKSUJKDBSA-N 2 0 311.470 0.953 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001481847837 940158462 /nfs/dbraw/zinc/15/84/62/940158462.db2.gz IXHPJPIPQVXNIG-ZFWWWQNUSA-N 2 0 324.469 0.503 20 30 DCEDRP C=C(C[NH+]1CCCCC1)C(=O)N1CC2(CCN2CC[NH+](C)C)C1 ZINC001273145120 945326813 /nfs/dbraw/zinc/32/68/13/945326813.db2.gz VTBUEXPOLAUNBZ-UHFFFAOYSA-N 2 0 320.481 0.877 20 30 DCEDRP COCC#CC[NH2+]C[C@@](C)(NC(=O)CCc1c[nH]cn1)C1CC1 ZINC001269619210 940743806 /nfs/dbraw/zinc/74/38/06/940743806.db2.gz LYNDREBPRDJRGX-QGZVFWFLSA-N 2 0 318.421 0.867 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001269981433 940809999 /nfs/dbraw/zinc/80/99/99/940809999.db2.gz LSAOOCCKVLLOTL-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001270065908 940828394 /nfs/dbraw/zinc/82/83/94/940828394.db2.gz AKQMSNANRSOREJ-INIZCTEOSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCN(C(=O)CCC[NH+]1CCCC1)C1CC[NH+](CCO)CC1 ZINC001270364197 940888210 /nfs/dbraw/zinc/88/82/10/940888210.db2.gz NEUWBJLNJPXBEF-UHFFFAOYSA-N 2 0 321.465 0.781 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001270436685 940900990 /nfs/dbraw/zinc/90/09/90/940900990.db2.gz QUFPJDROAWVNAD-ZIAGYGMSSA-N 2 0 310.442 0.115 20 30 DCEDRP C=C(C)CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001271145973 941287319 /nfs/dbraw/zinc/28/73/19/941287319.db2.gz QXSHHLLAMAQIGH-BFYDXBDKSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001271152193 941291779 /nfs/dbraw/zinc/29/17/79/941291779.db2.gz KFEQIQCCEKAMEX-DOTOQJQBSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001271229813 941329577 /nfs/dbraw/zinc/32/95/77/941329577.db2.gz XHFAJURFRZLXKM-SJLPKXTDSA-N 2 0 321.465 0.683 20 30 DCEDRP C=CCC[NH2+]C1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001271933042 941483593 /nfs/dbraw/zinc/48/35/93/941483593.db2.gz ZXLKJEWVRRPOJC-OAHLLOKOSA-N 2 0 308.470 0.684 20 30 DCEDRP C=C(C)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001271957917 941491446 /nfs/dbraw/zinc/49/14/46/941491446.db2.gz KNIBWFIWQZAAMA-AEFFLSMTSA-N 2 0 321.465 0.847 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+][C@@H](C)COC)C2CC2)CC1 ZINC001483609281 942462114 /nfs/dbraw/zinc/46/21/14/942462114.db2.gz ZEXRRQXJRAOAHC-YOEHRIQHSA-N 2 0 321.465 0.851 20 30 DCEDRP C#CCN1C[C@@]2(CC[N@H+](Cc3c[nH]c4ccncc34)C2)OCC1=O ZINC001272674299 942941272 /nfs/dbraw/zinc/94/12/72/942941272.db2.gz YADROHSJKLNKKH-SFHVURJKSA-N 2 0 324.384 0.999 20 30 DCEDRP C#CCN(C(=O)C[N@H+](C)C1CCC1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001483985271 943071126 /nfs/dbraw/zinc/07/11/26/943071126.db2.gz QPGJRRDNLIWPAE-HNNXBMFYSA-N 2 0 321.465 0.778 20 30 DCEDRP C#CCNC(=O)[C@@H](C)N1CC[C@@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001484065200 943132581 /nfs/dbraw/zinc/13/25/81/943132581.db2.gz SMMAYJBQEJSPMB-RHSMWYFYSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CC[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001484216430 943216642 /nfs/dbraw/zinc/21/66/42/943216642.db2.gz MNDFMCVLQZBAJX-QGZVFWFLSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]C[C@@H](C)O)CC1 ZINC001484619669 943480134 /nfs/dbraw/zinc/48/01/34/943480134.db2.gz POPUXQPFFFIBTC-NVXWUHKLSA-N 2 0 321.465 0.683 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCC1 ZINC001484638375 943491892 /nfs/dbraw/zinc/49/18/92/943491892.db2.gz BOYRRJDRAKAIQH-OAHLLOKOSA-N 2 0 307.438 0.749 20 30 DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001484841377 943590815 /nfs/dbraw/zinc/59/08/15/943590815.db2.gz HUSPACNNZLLEIR-WMZOPIPTSA-N 2 0 321.465 0.827 20 30 DCEDRP C=CCOCC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001484897901 943620124 /nfs/dbraw/zinc/62/01/24/943620124.db2.gz SJUZWSXGWHCPMH-CABCVRRESA-N 2 0 309.454 0.967 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001484997445 943647438 /nfs/dbraw/zinc/64/74/38/943647438.db2.gz SUGFSVBHHUIEOT-KKUMJFAQSA-N 2 0 324.469 0.646 20 30 DCEDRP C#CCC[NH+]1CCC2(CC1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001485007792 943651774 /nfs/dbraw/zinc/65/17/74/943651774.db2.gz NIVQHILNSOSIDL-UHFFFAOYSA-N 2 0 307.438 0.655 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001491180110 943815706 /nfs/dbraw/zinc/81/57/06/943815706.db2.gz PBVOPDZVMKQDDG-DLBZAZTESA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H](C)[NH2+]CCO)CC1 ZINC001316877197 944609215 /nfs/dbraw/zinc/60/92/15/944609215.db2.gz CIRKOFPHMDIRJZ-DOTOQJQBSA-N 2 0 321.465 0.683 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001277142111 944678581 /nfs/dbraw/zinc/67/85/81/944678581.db2.gz VMYPQVASRIAYPW-KBPBESRZSA-N 2 0 322.453 0.400 20 30 DCEDRP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001317040661 944754928 /nfs/dbraw/zinc/75/49/28/944754928.db2.gz FNLRIMLJQLIWJJ-OAHLLOKOSA-N 2 0 324.469 0.411 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC#CCOC)C1 ZINC001317057237 944764127 /nfs/dbraw/zinc/76/41/27/944764127.db2.gz PMIDOVOGMDFSMK-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP CC#CC[NH2+]CCC[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001277329897 944764897 /nfs/dbraw/zinc/76/48/97/944764897.db2.gz VHVQRRAOPFBHKH-OAHLLOKOSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001317079080 944780290 /nfs/dbraw/zinc/78/02/90/944780290.db2.gz VRFSNUQSSUYFHG-ZQDZILKHSA-N 2 0 322.453 0.256 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001317322927 944922482 /nfs/dbraw/zinc/92/24/82/944922482.db2.gz RQFKKYJRNYIEMQ-IAGOWNOFSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCN1C(=O)CCC12CC[NH+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246708277 945467761 /nfs/dbraw/zinc/46/77/61/945467761.db2.gz DJKFEAVNZSHLEW-HNNXBMFYSA-N 2 0 318.465 0.723 20 30 DCEDRP CCOC(=O)[C@]12C[N@@H+]([C@@H]3CCN[C@H](C#N)C3)C[C@H]1C[NH2+]CC2 ZINC001246854797 945504191 /nfs/dbraw/zinc/50/41/91/945504191.db2.gz HIDLNENFHREXSC-HLPPOEQASA-N 2 0 306.410 0.105 20 30 DCEDRP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001278582618 945666960 /nfs/dbraw/zinc/66/69/60/945666960.db2.gz NFBHRWQFLGWJQL-GOSISDBHSA-N 2 0 301.434 0.793 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001319937250 945699442 /nfs/dbraw/zinc/69/94/42/945699442.db2.gz UPQCMMCPJKZHGY-UONOGXRCSA-N 2 0 310.442 0.113 20 30 DCEDRP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001320272864 945798959 /nfs/dbraw/zinc/79/89/59/945798959.db2.gz JTBKSSDTHKUXKJ-BBRMVZONSA-N 2 0 315.433 0.842 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2cnns2)CC1 ZINC001321756048 946450161 /nfs/dbraw/zinc/45/01/61/946450161.db2.gz ILWRIMTXKJTCOM-GFCCVEGCSA-N 2 0 321.450 0.478 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001279027951 946750235 /nfs/dbraw/zinc/75/02/35/946750235.db2.gz KMMGHLLRRLTCMU-KGLIPLIRSA-N 2 0 324.469 0.361 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]CCO)C2)CC1 ZINC001279044001 946766671 /nfs/dbraw/zinc/76/66/71/946766671.db2.gz FCXSHIQZUMDQGZ-GDBMZVCRSA-N 2 0 307.438 0.151 20 30 DCEDRP C=CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001325109712 947658981 /nfs/dbraw/zinc/65/89/81/947658981.db2.gz GVUQGRUFRYLPOO-DOTOQJQBSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001325138651 947673561 /nfs/dbraw/zinc/67/35/61/947673561.db2.gz VBQDXWYWWQWWJY-WBVHZDCISA-N 2 0 307.438 0.437 20 30 DCEDRP C#CCC[NH2+]C1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001325783783 947922568 /nfs/dbraw/zinc/92/25/68/947922568.db2.gz HMDDRJQRTRDABT-INIZCTEOSA-N 2 0 306.454 0.274 20 30 DCEDRP C#CCC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001325835619 947943470 /nfs/dbraw/zinc/94/34/70/947943470.db2.gz OBICZFYNTWSWGX-JZXOWHBKSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCO1 ZINC001326987939 948353757 /nfs/dbraw/zinc/35/37/57/948353757.db2.gz HIKULWDZCQCWFD-IRXDYDNUSA-N 2 0 319.449 0.844 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC001263830378 948769259 /nfs/dbraw/zinc/76/92/59/948769259.db2.gz MPMLSXBOSWRUIE-HNNXBMFYSA-N 2 0 321.469 0.019 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001328284081 948807043 /nfs/dbraw/zinc/80/70/43/948807043.db2.gz NYLUJCNSDCYILK-CABCVRRESA-N 2 0 324.469 0.598 20 30 DCEDRP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001264078922 948863467 /nfs/dbraw/zinc/86/34/67/948863467.db2.gz UKMBIAVURWLWMJ-HOTGVXAUSA-N 2 0 309.454 0.635 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001328403356 948878383 /nfs/dbraw/zinc/87/83/83/948878383.db2.gz VTTAWLUXKXQNSG-KKUMJFAQSA-N 2 0 324.469 0.503 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001488981232 949406712 /nfs/dbraw/zinc/40/67/12/949406712.db2.gz VHAFEKXQKCOGQR-LSDHHAIUSA-N 2 0 305.426 0.442 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1OCC ZINC001489017769 949434847 /nfs/dbraw/zinc/43/48/47/949434847.db2.gz VNGRNOFWTGGWQQ-BRWVUGGUSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCc2cncn2C1 ZINC001329473975 949622702 /nfs/dbraw/zinc/62/27/02/949622702.db2.gz GHSAJCYHDDSAQM-CABCVRRESA-N 2 0 318.421 0.532 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001265378481 949644164 /nfs/dbraw/zinc/64/41/64/949644164.db2.gz MBLZFMMMEMEEHB-HZPDHXFCSA-N 2 0 309.454 0.707 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001265460017 949703080 /nfs/dbraw/zinc/70/30/80/949703080.db2.gz WAVCOQPNPAFFDS-HNNXBMFYSA-N 2 0 322.453 0.355 20 30 DCEDRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC#CCOC)C1)[NH+](CC)CC ZINC001265493857 949727425 /nfs/dbraw/zinc/72/74/25/949727425.db2.gz FMLRMUMZMSRRPW-JYJNAYRXSA-N 2 0 309.454 0.993 20 30 DCEDRP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001266070387 950323526 /nfs/dbraw/zinc/32/35/26/950323526.db2.gz BKHRJSWRFCJBRR-LSDHHAIUSA-N 2 0 307.438 0.747 20 30 DCEDRP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001330612395 950548077 /nfs/dbraw/zinc/54/80/77/950548077.db2.gz DMPMNIFNOSHSAQ-WKILWMFISA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)CC[NH+]2CCCCC2)CCOCC1 ZINC001274020869 951333385 /nfs/dbraw/zinc/33/33/85/951333385.db2.gz JZFNOXRXFOOZNV-UHFFFAOYSA-N 2 0 307.438 0.751 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001281348764 951457622 /nfs/dbraw/zinc/45/76/22/951457622.db2.gz DYQASEQRDLMDFV-KFWWJZLASA-N 2 0 322.453 0.045 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001281460244 951509509 /nfs/dbraw/zinc/50/95/09/951509509.db2.gz XETJUYKOLJPMBL-HOTGVXAUSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H](C[NH2+]CCC=C)C2)CC1 ZINC001280683636 951661373 /nfs/dbraw/zinc/66/13/73/951661373.db2.gz RZWKNPUSPQWJRR-KRWDZBQOSA-N 2 0 319.449 0.725 20 30 DCEDRP C#CCN1CCC[C@H](NC(=O)N2CCN([C@@H]3CCOC3)CC2)C1 ZINC001333676612 952130854 /nfs/dbraw/zinc/13/08/54/952130854.db2.gz DYPXWNDXKSPUHE-JKSUJKDBSA-N 2 0 320.437 0.200 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2cnn(C)c2)CC1 ZINC001275460014 952163915 /nfs/dbraw/zinc/16/39/15/952163915.db2.gz YHBCNHVSNIHREL-AWEZNQCLSA-N 2 0 317.437 0.360 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@@H](C[NH2+]CCF)C2)CC1 ZINC001279193915 952280218 /nfs/dbraw/zinc/28/02/18/952280218.db2.gz OAUIYGFBWYQQNK-HOCLYGCPSA-N 2 0 309.429 0.985 20 30 DCEDRP C[NH+]1CCN(CC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC001335883566 952614393 /nfs/dbraw/zinc/61/43/93/952614393.db2.gz ZGINEWLXELBQKZ-INIZCTEOSA-N 2 0 318.421 0.135 20 30 DCEDRP C#CC[NH2+]CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001341321140 953223408 /nfs/dbraw/zinc/22/34/08/953223408.db2.gz RUBIERYIPVJGAV-UHFFFAOYSA-N 2 0 310.401 0.862 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001341732433 953248524 /nfs/dbraw/zinc/24/85/24/953248524.db2.gz JXFPCCMRUXCXLD-HZPDHXFCSA-N 2 0 308.470 0.908 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001281820548 953375272 /nfs/dbraw/zinc/37/52/72/953375272.db2.gz IQEUKDQZRJNVPJ-GJZGRUSLSA-N 2 0 307.438 0.436 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001283051719 953957649 /nfs/dbraw/zinc/95/76/49/953957649.db2.gz RDKXHCZURLYHFU-BRWVUGGUSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001283617888 954487269 /nfs/dbraw/zinc/48/72/69/954487269.db2.gz MYFUBPUSVBWGAF-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC#CCOC)C1 ZINC001491855914 959310597 /nfs/dbraw/zinc/31/05/97/959310597.db2.gz LUSAXZLQZZPAMX-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001491857664 959313815 /nfs/dbraw/zinc/31/38/15/959313815.db2.gz XGVIRJNUONFNSQ-CVEARBPZSA-N 2 0 307.438 0.416 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCO1 ZINC001368506411 959953754 /nfs/dbraw/zinc/95/37/54/959953754.db2.gz FFYHCLMWFIZKRD-QWHCGFSZSA-N 2 0 303.834 0.896 20 30 DCEDRP C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001317521860 960267653 /nfs/dbraw/zinc/26/76/53/960267653.db2.gz FKDNSEWNLYJGTE-RDJZCZTQSA-N 2 0 321.465 0.969 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001379884114 962212183 /nfs/dbraw/zinc/21/21/83/962212183.db2.gz XKXOPMFTGOGMKY-CHWSQXEVSA-N 2 0 303.834 0.490 20 30 DCEDRP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001379246763 962457904 /nfs/dbraw/zinc/45/79/04/962457904.db2.gz UNEQOFGFNWGGHE-CVEARBPZSA-N 2 0 318.421 0.465 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC001507434037 1016324943 /nfs/dbraw/zinc/32/49/43/1016324943.db2.gz PCGRAIPTCIUVGE-BZUAXINKSA-N 2 0 321.465 0.803 20 30 DCEDRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001420186577 1001998873 /nfs/dbraw/zinc/99/88/73/1001998873.db2.gz BZZDUOIGJCLCNR-JKSUJKDBSA-N 2 0 316.405 0.077 20 30 DCEDRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCC#CC[NH+](C)C ZINC001471629784 1016611715 /nfs/dbraw/zinc/61/17/15/1016611715.db2.gz JRUJTODLEQDEQR-OAHLLOKOSA-N 2 0 315.421 0.867 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001438993346 1006333182 /nfs/dbraw/zinc/33/31/82/1006333182.db2.gz JOPBZQIRHQSGBZ-STQMWFEESA-N 2 0 303.834 0.680 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]Cc1ccc(C#N)s1 ZINC001423260691 1011024604 /nfs/dbraw/zinc/02/46/04/1011024604.db2.gz UJTIUBMOLKLRRM-LLVKDONJSA-N 2 0 310.423 0.138 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001479459949 1017561887 /nfs/dbraw/zinc/56/18/87/1017561887.db2.gz IPEZPXAVFSANJF-BBWFWOEESA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001479660589 1017638410 /nfs/dbraw/zinc/63/84/10/1017638410.db2.gz CFWPHDBREXYXBP-HZPDHXFCSA-N 2 0 307.438 0.247 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001497078644 1017830579 /nfs/dbraw/zinc/83/05/79/1017830579.db2.gz ZGXUGCUBPBFTQA-INIZCTEOSA-N 2 0 303.406 0.452 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001499920655 1018134970 /nfs/dbraw/zinc/13/49/70/1018134970.db2.gz IQDVVFKKSHTMLQ-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001480211017 1018317239 /nfs/dbraw/zinc/31/72/39/1018317239.db2.gz JJHKQZBQTFHMFC-GASCZTMLSA-N 2 0 305.422 0.501 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@@H+](CC(C)C)C2)CC1 ZINC001500766914 1018644963 /nfs/dbraw/zinc/64/49/63/1018644963.db2.gz VDZUBZLQUWUGBF-GOSISDBHSA-N 2 0 321.465 0.541 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001493238689 1019234746 /nfs/dbraw/zinc/23/47/46/1019234746.db2.gz CZEZNHUAABOAMB-KBPBESRZSA-N 2 0 310.442 0.067 20 30 DCEDRP COCC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496431328 1019306450 /nfs/dbraw/zinc/30/64/50/1019306450.db2.gz WEARAKSESQKARX-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001496908830 1019752624 /nfs/dbraw/zinc/75/26/24/1019752624.db2.gz QCBJWZGYQPEDKE-DOTOQJQBSA-N 2 0 321.465 0.995 20 30 DCEDRP C[C@@H]1C[NH+]=C(NCc2ccc(CNC3=[NH+]C[C@H](C)N3)cc2)N1 ZINC000262669224 238178862 /nfs/dbraw/zinc/17/88/62/238178862.db2.gz QHQFASLGBYJCHI-TXEJJXNPSA-N 2 0 300.410 0.561 20 30 DCEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000262256847 532964979 /nfs/dbraw/zinc/96/49/79/532964979.db2.gz CWFZLCJSCNVQTR-OAHLLOKOSA-N 2 0 308.382 0.497 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000491726035 533148168 /nfs/dbraw/zinc/14/81/68/533148168.db2.gz IMYGRHLKEFAOPT-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP COC(=O)[C@H](C)C[NH+](C)CC#CC[N@@H+](C)C[C@@H](C)C(=O)OC ZINC000276297689 533168732 /nfs/dbraw/zinc/16/87/32/533168732.db2.gz JGYYQLWBTIVRFJ-ZIAGYGMSSA-N 2 0 312.410 0.472 20 30 DCEDRP C[NH+]1CCC(C[NH2+]C[C@H](C#N)CCC#N)(N2CCOCC2)CC1 ZINC000579222607 397536221 /nfs/dbraw/zinc/53/62/21/397536221.db2.gz BEFZLHXGQJZZDF-INIZCTEOSA-N 2 0 319.453 0.816 20 30 DCEDRP C[C@H]1C[NH+]=C(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)N1 ZINC000284970210 415606405 /nfs/dbraw/zinc/60/64/05/415606405.db2.gz GCIDOPGPUZVHGW-AWEZNQCLSA-N 3 0 302.426 0.531 20 30 DCEDRP C=C(C)CNC(=[NH2+])NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000104181857 415623108 /nfs/dbraw/zinc/62/31/08/415623108.db2.gz VSKBQRAILCWVQE-UHFFFAOYSA-N 2 0 317.437 0.958 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000286705537 415634993 /nfs/dbraw/zinc/63/49/93/415634993.db2.gz QFCVXUVVHQKFMM-UHFFFAOYSA-N 2 0 310.442 0.163 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000354645429 415810535 /nfs/dbraw/zinc/81/05/35/415810535.db2.gz HQLJYNDCLTUJHR-UHFFFAOYSA-N 2 0 322.453 0.354 20 30 DCEDRP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC000122098927 415825425 /nfs/dbraw/zinc/82/54/25/415825425.db2.gz QGVCATNUPFFUCB-UHFFFAOYSA-N 2 0 310.442 0.697 20 30 DCEDRP C[NH+]=C(NCCn1cc(C)cn1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000131891858 415930115 /nfs/dbraw/zinc/93/01/15/415930115.db2.gz OMRAWDNFDCFJTD-HNNXBMFYSA-N 2 0 302.426 0.713 20 30 DCEDRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)[C@H](C)C1 ZINC000329266985 416159502 /nfs/dbraw/zinc/15/95/02/416159502.db2.gz FYEHESXAXTVFPJ-LJISPDSOSA-N 2 0 324.469 0.913 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C[NH3+])CCCC)CC1 ZINC000419734608 416407576 /nfs/dbraw/zinc/40/75/76/416407576.db2.gz VMRZMBAOIZLIEL-OAHLLOKOSA-N 2 0 324.469 0.777 20 30 DCEDRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424142778 416616744 /nfs/dbraw/zinc/61/67/44/416616744.db2.gz FFASHCGSRDIXDH-CQSZACIVSA-N 2 0 323.441 0.020 20 30 DCEDRP C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424184456 416623078 /nfs/dbraw/zinc/62/30/78/416623078.db2.gz XLTLCKGMGFOTOA-HNNXBMFYSA-N 2 0 303.410 0.993 20 30 DCEDRP C=CC[C@@]1(C(=O)NCCCC[NH+]2CCN(C)CC2)CCC[NH2+]1 ZINC000662758735 417894962 /nfs/dbraw/zinc/89/49/62/417894962.db2.gz SIEPZGWRLGCRFN-KRWDZBQOSA-N 2 0 308.470 0.829 20 30 DCEDRP CN1CC[N@H+](C)C[C@@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000262535939 277101061 /nfs/dbraw/zinc/10/10/61/277101061.db2.gz PNXQJSRFEZMFFH-DZGCQCFKSA-N 2 0 317.437 0.660 20 30 DCEDRP CC[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N(C)Cc1cccn1C ZINC000261964989 278168560 /nfs/dbraw/zinc/16/85/60/278168560.db2.gz LEGHVJUCBIMVGS-INIZCTEOSA-N 2 0 318.469 0.422 20 30 DCEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@H](C)c1ccc(C)o1 ZINC000262758491 333872091 /nfs/dbraw/zinc/87/20/91/333872091.db2.gz CHORPDBWNOCCFI-ZIAGYGMSSA-N 2 0 305.426 0.814 20 30 DCEDRP C[C@H]1C[N@H+](CCC[NH2+]C[C@@H](O)CN(C)CCC#N)CCCO1 ZINC000583079773 337236874 /nfs/dbraw/zinc/23/68/74/337236874.db2.gz KYFRUQHMTGBKAE-JKSUJKDBSA-N 2 0 312.458 0.283 20 30 DCEDRP C=CCNC(=O)NC(=O)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420367839 337499790 /nfs/dbraw/zinc/49/97/90/337499790.db2.gz ADWIZINNCVYZRA-DZGCQCFKSA-N 2 0 324.425 0.217 20 30 DCEDRP COCC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001566610796 1160094219 /nfs/dbraw/zinc/09/42/19/1160094219.db2.gz NBIHVFCSIABDQK-MRXNPFEDSA-N 2 0 307.438 0.653 20 30 DCEDRP CC[C@H](C(=O)NC1(C)CC[NH+](CC#CCOC)CC1)[NH+](C)C ZINC001569577403 1161153395 /nfs/dbraw/zinc/15/33/95/1161153395.db2.gz QFIBAYNJJATTCH-OAHLLOKOSA-N 2 0 309.454 0.947 20 30 DCEDRP [NH2+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1CCOc2ccccc21 ZINC000262798464 534834325 /nfs/dbraw/zinc/83/43/25/534834325.db2.gz PZOUZCPEZDQWGX-UKRRQHHQSA-N 2 0 315.421 0.414 20 30 DCEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@@H]1CCN(C(=O)CC)C1 ZINC000261980204 528809191 /nfs/dbraw/zinc/80/91/91/528809191.db2.gz OSKWWNZUOOXIKO-UONOGXRCSA-N 2 0 309.458 0.504 20 30 DCEDRP C=C[C@H](O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000667680517 546637202 /nfs/dbraw/zinc/63/72/02/546637202.db2.gz JAZSAUZIRAZGGZ-HNNXBMFYSA-N 2 0 304.394 0.257 20 30 DCEDRP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC000978634874 660577200 /nfs/dbraw/zinc/57/72/00/660577200.db2.gz IAOMPYZZMKGUFJ-JONQDZQNSA-N 2 0 305.422 0.023 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028036922 661093471 /nfs/dbraw/zinc/09/34/71/661093471.db2.gz IZDUOYBOTXNJBN-LPMVOBIJSA-N 2 0 317.433 0.454 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](C[C@@H](C)O)C2 ZINC000981819197 661222595 /nfs/dbraw/zinc/22/25/95/661222595.db2.gz RNRARRWZDHCDKF-CVEARBPZSA-N 2 0 319.449 0.389 20 30 DCEDRP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001023553213 657982228 /nfs/dbraw/zinc/98/22/28/657982228.db2.gz XRGVHSNWQZFWOX-DLBZAZTESA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC000972314353 658554904 /nfs/dbraw/zinc/55/49/04/658554904.db2.gz CNQMLFZKVJOMGI-WBVHZDCISA-N 2 0 323.437 0.196 20 30 DCEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000970168515 658683483 /nfs/dbraw/zinc/68/34/83/658683483.db2.gz BYNHUJXMJMCWLC-QBPRILJRSA-N 2 0 319.449 0.862 20 30 DCEDRP C=CCN1CCO[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972411015 658735359 /nfs/dbraw/zinc/73/53/59/658735359.db2.gz VTKNHKDVPSLWBZ-DOTOQJQBSA-N 2 0 307.438 0.816 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025799087 659565458 /nfs/dbraw/zinc/56/54/58/659565458.db2.gz UYDPBWZGEIHWJA-FIDHJVLJSA-N 2 0 319.449 0.862 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)CC2(C)C)CC1 ZINC000977635285 659791695 /nfs/dbraw/zinc/79/16/95/659791695.db2.gz AJCFZGRWJNHIOM-GDBMZVCRSA-N 2 0 321.465 0.539 20 30 DCEDRP N#Cc1ccc(NCC[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)nc1 ZINC000925892867 661393840 /nfs/dbraw/zinc/39/38/40/661393840.db2.gz GUXSXAOMCLRUOS-GOEBONIOSA-N 2 0 301.394 0.722 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2C[C@H](C)OC)CC1 ZINC001028333565 661461705 /nfs/dbraw/zinc/46/17/05/661461705.db2.gz OMXBCXIVLVUDJJ-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](C)COC)CC1 ZINC001028333552 661462412 /nfs/dbraw/zinc/46/24/12/661462412.db2.gz NZDHDVNOKDATOJ-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP C[NH+]=C(NCC(=O)N(C)C)NC1CC[NH+](C2CCCC2)CC1 ZINC000262297597 662314360 /nfs/dbraw/zinc/31/43/60/662314360.db2.gz MSCOWIWUPWOGJJ-UHFFFAOYSA-N 2 0 309.458 0.647 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](C[C@@H](C)O)CC2)CC1 ZINC000989735109 662974860 /nfs/dbraw/zinc/97/48/60/662974860.db2.gz SWORSFHGKAZSTG-OAHLLOKOSA-N 2 0 307.438 0.247 20 30 DCEDRP C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001000715593 665920859 /nfs/dbraw/zinc/92/08/59/665920859.db2.gz SUXSPAKQDLILKP-HOTGVXAUSA-N 2 0 303.406 0.231 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000900513552 663251688 /nfs/dbraw/zinc/25/16/88/663251688.db2.gz ZPQOSUXXCCORDX-CQSZACIVSA-N 2 0 310.442 0.198 20 30 DCEDRP C=CCN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903719727 663474773 /nfs/dbraw/zinc/47/47/73/663474773.db2.gz ULAIXJSXSJPJCC-GASCZTMLSA-N 2 0 320.437 0.058 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911237446 664009375 /nfs/dbraw/zinc/00/93/75/664009375.db2.gz XXRWVBPXOLCSIO-KGLIPLIRSA-N 2 0 322.453 0.115 20 30 DCEDRP C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941665479 666041087 /nfs/dbraw/zinc/04/10/87/666041087.db2.gz FVPBORCSIBYHFZ-INIZCTEOSA-N 2 0 320.481 0.733 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001691170446 1157604299 /nfs/dbraw/zinc/60/42/99/1157604299.db2.gz BSQWKZOKYWJHHH-JKSUJKDBSA-N 2 0 307.438 0.416 20 30 DCEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033279967 666659791 /nfs/dbraw/zinc/65/97/91/666659791.db2.gz YPEJIYXDVWMQPQ-GARNVTTQSA-N 2 0 319.449 0.958 20 30 DCEDRP Cc1cc(C#N)nc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000866012137 667360252 /nfs/dbraw/zinc/36/02/52/667360252.db2.gz RIJRHTQVQGZEHV-ZIAGYGMSSA-N 2 0 302.426 0.832 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CN(CCC)CCO2)CC1 ZINC001035614002 667392587 /nfs/dbraw/zinc/39/25/87/667392587.db2.gz MJHLBLCOYZRCMY-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)C1CC[NH+](CC#C)CC1)CC2 ZINC001035857586 667414866 /nfs/dbraw/zinc/41/48/66/667414866.db2.gz XFIDPDVVMYMGDM-UHFFFAOYSA-N 2 0 313.445 0.889 20 30 DCEDRP C#CCCS(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000711064913 667448539 /nfs/dbraw/zinc/44/85/39/667448539.db2.gz ICSPKGYZOYQYMK-UHFFFAOYSA-N 2 0 301.456 0.297 20 30 DCEDRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884313869 667522221 /nfs/dbraw/zinc/52/22/21/667522221.db2.gz RICYMBXZRCZUNI-GYMHETDLSA-N 2 0 304.438 0.924 20 30 DCEDRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH+](C)C ZINC000870020128 667698803 /nfs/dbraw/zinc/69/88/03/667698803.db2.gz DSRYXRGRZSBTKN-CHWSQXEVSA-N 2 0 303.410 0.698 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000747568417 667907015 /nfs/dbraw/zinc/90/70/15/667907015.db2.gz VDKQGORVTHSFPL-LUKYLMHMSA-N 2 0 319.449 0.794 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](CC)NC(=O)C(=C)C[NH+](C)C ZINC000764498981 668450326 /nfs/dbraw/zinc/45/03/26/668450326.db2.gz JDDFTTCWXIVDTK-AWEZNQCLSA-N 2 0 310.442 0.233 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000876771813 668507179 /nfs/dbraw/zinc/50/71/79/668507179.db2.gz ZRVUIBAOCVXTTA-ZDUSSCGKSA-N 2 0 301.818 0.780 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000876802448 668513686 /nfs/dbraw/zinc/51/36/86/668513686.db2.gz OTAZOIVIGRQMIQ-FAAHXZRKSA-N 2 0 318.808 0.871 20 30 DCEDRP C[NH2+]CCOCCN(C)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877029779 668555070 /nfs/dbraw/zinc/55/50/70/668555070.db2.gz NGFQJJNBNBWWND-INIZCTEOSA-N 2 0 316.405 0.439 20 30 DCEDRP C[C@@H]1C[NH+]=C(NN=Cc2ccc(N3CC[NH+](C)CC3)cc2)N1 ZINC000779792840 668936910 /nfs/dbraw/zinc/93/69/10/668936910.db2.gz PTNFMESEEIVARV-CYBMUJFWSA-N 2 0 300.410 0.710 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC000931568556 669224615 /nfs/dbraw/zinc/22/46/15/669224615.db2.gz YQJVGOOOZWEZID-UHFFFAOYSA-N 2 0 318.425 0.664 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCO)C2)CC1 ZINC001036903965 670271200 /nfs/dbraw/zinc/27/12/00/670271200.db2.gz KCDVZVQIDBJTFA-IRXDYDNUSA-N 2 0 319.449 0.247 20 30 DCEDRP CNC(NCCCC[NH+]1CCN(c2ncccn2)CC1)=[NH+]C ZINC000849003136 670747603 /nfs/dbraw/zinc/74/76/03/670747603.db2.gz KSRQANGKSWODMQ-UHFFFAOYSA-N 2 0 305.430 0.174 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000817157553 670903873 /nfs/dbraw/zinc/90/38/73/670903873.db2.gz IZMBBBKKDPXVDQ-UHFFFAOYSA-N 2 0 310.442 0.213 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000852872023 671181548 /nfs/dbraw/zinc/18/15/48/671181548.db2.gz GTPTZKYJAXLLTC-INIZCTEOSA-N 2 0 305.422 0.170 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1CCC([NH+](C)C)CC1 ZINC000304675301 685210503 /nfs/dbraw/zinc/21/05/03/685210503.db2.gz CWHUMUPMMUSYBH-INIZCTEOSA-N 3 0 324.517 0.401 20 30 DCEDRP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038535015 694109364 /nfs/dbraw/zinc/10/93/64/694109364.db2.gz JTFJOZLVLUTYFY-GWUWNPHMSA-N 2 0 305.422 0.616 20 30 DCEDRP CC#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958600357 687787188 /nfs/dbraw/zinc/78/71/88/687787188.db2.gz ZLQZKRZZOXSXFX-XJKSGUPXSA-N 2 0 316.405 0.193 20 30 DCEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000962013852 688789339 /nfs/dbraw/zinc/78/93/39/688789339.db2.gz WFSLIHDZFFCBDD-ZSHCYNCHSA-N 2 0 317.437 0.681 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2[C@H](C)COC)CC1 ZINC001039042253 694284385 /nfs/dbraw/zinc/28/43/85/694284385.db2.gz OKAAQDPVPFOPSZ-GDBMZVCRSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](C[C@@H](C)O)C2)CC1 ZINC001009624980 691077015 /nfs/dbraw/zinc/07/70/15/691077015.db2.gz CBBZCRMFLGBGBU-ZBFHGGJFSA-N 2 0 307.438 0.293 20 30 DCEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001019169740 693376334 /nfs/dbraw/zinc/37/63/34/693376334.db2.gz HVBHDJMEGLDLJL-GWUWNPHMSA-N 2 0 305.422 0.616 20 30 DCEDRP C#CC[N@H+]1CCC2(CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C2)C1 ZINC001072852964 694675185 /nfs/dbraw/zinc/67/51/85/694675185.db2.gz VGMOBQRTVRJIOP-UHFFFAOYSA-N 2 0 319.449 0.512 20 30 DCEDRP C#CC[N@H+]1CCC2(CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001073433987 694726423 /nfs/dbraw/zinc/72/64/23/694726423.db2.gz YVFJNZZCUAAKGX-OAHLLOKOSA-N 2 0 305.422 0.122 20 30 DCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760770 694661347 /nfs/dbraw/zinc/66/13/47/694661347.db2.gz NEZXMJKSGFIZRM-CVEARBPZSA-N 2 0 317.433 0.407 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001570516061 1162533443 /nfs/dbraw/zinc/53/34/43/1162533443.db2.gz VOQOKNVNDDBGIW-INIZCTEOSA-N 2 0 319.449 0.703 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCOC)C2)CC1 ZINC001691271451 1157625105 /nfs/dbraw/zinc/62/51/05/1157625105.db2.gz GMMOHHFLLYUAFS-DOTOQJQBSA-N 2 0 321.465 0.853 20 30 DCEDRP C=CCCC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001672503302 1157957379 /nfs/dbraw/zinc/95/73/79/1157957379.db2.gz JNAZRKFGDBPZKB-DOTOQJQBSA-N 2 0 309.454 0.847 20 30 DCEDRP C=CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001691528457 1158214238 /nfs/dbraw/zinc/21/42/38/1158214238.db2.gz PSUVVDRUDJBBCS-OWCLPIDISA-N 2 0 309.454 0.798 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001670903215 1158623121 /nfs/dbraw/zinc/62/31/21/1158623121.db2.gz BRTLKPRNITZLDM-ZIAGYGMSSA-N 2 0 322.453 0.400 20 30 DCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001214655155 1159116968 /nfs/dbraw/zinc/11/69/68/1159116968.db2.gz BHHGGTHXZYROGK-GDBMZVCRSA-N 2 0 317.437 0.518 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCCOC)CC1 ZINC001565835271 1159905206 /nfs/dbraw/zinc/90/52/06/1159905206.db2.gz KJZGAZUGSVEALV-KRWDZBQOSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001566773545 1160148168 /nfs/dbraw/zinc/14/81/68/1160148168.db2.gz KUTCZGDXUNUMEA-IHRRRGAJSA-N 2 0 310.442 0.208 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001566951547 1160192563 /nfs/dbraw/zinc/19/25/63/1160192563.db2.gz LHCIWOHKSDEWMA-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)CN1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001567920641 1160536670 /nfs/dbraw/zinc/53/66/70/1160536670.db2.gz IVMOEWPWCFIMMN-OAHLLOKOSA-N 2 0 322.453 0.163 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001568114892 1160579050 /nfs/dbraw/zinc/57/90/50/1160579050.db2.gz SARYUQJKUCFYEE-SHTZXODSSA-N 2 0 324.469 0.646 20 30 DCEDRP C=CCC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCOCC1 ZINC001569734603 1161210496 /nfs/dbraw/zinc/21/04/96/1161210496.db2.gz KESLPRPBGCKARI-UHFFFAOYSA-N 2 0 307.438 0.913 20 30 DCEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001569759951 1161231302 /nfs/dbraw/zinc/23/13/02/1161231302.db2.gz PWJUTAPTPUTAFV-WMZOPIPTSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@H+](CCC=C)C2)CC1 ZINC001569765050 1161234104 /nfs/dbraw/zinc/23/41/04/1161234104.db2.gz IYXNSQQCNRRMNJ-SFHVURJKSA-N 2 0 319.449 0.461 20 30 DCEDRP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001569765824 1161234302 /nfs/dbraw/zinc/23/43/02/1161234302.db2.gz RSUAAGNAWLADRD-WBVHZDCISA-N 2 0 307.438 0.293 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]CC#CCOC)C1 ZINC001569851227 1161284931 /nfs/dbraw/zinc/28/49/31/1161284931.db2.gz RUVMQQRGRPAGLI-JKSUJKDBSA-N 2 0 309.454 0.662 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)c2cc3n(n2)CCC[C@@H]3[NH3+])CC1 ZINC001574674119 1163739153 /nfs/dbraw/zinc/73/91/53/1163739153.db2.gz VMYMUQWWXDFHAY-ZDUSSCGKSA-N 2 0 301.394 0.504 20 30 DCEDRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCC#CC[NH+](C)C ZINC001579828007 1165405471 /nfs/dbraw/zinc/40/54/71/1165405471.db2.gz YFCVIXNZPZKDJX-CQSZACIVSA-N 2 0 303.410 0.411 20 30 DCEDRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NCC#CC[NH+](C)C ZINC001639133744 1171823280 /nfs/dbraw/zinc/82/32/80/1171823280.db2.gz IUUSPCAZOHIPFA-UHFFFAOYSA-N 2 0 311.474 0.076 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001656847939 1173888291 /nfs/dbraw/zinc/88/82/91/1173888291.db2.gz SKIXDIFLFLBZLQ-SJORKVTESA-N 2 0 319.449 0.512 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001661644885 1174143523 /nfs/dbraw/zinc/14/35/23/1174143523.db2.gz UBRRWTGIXWEHSD-QLFBSQMISA-N 2 0 322.453 0.352 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)CNC(=O)C1([NH+](C)C)CCC1 ZINC001665798912 1174564206 /nfs/dbraw/zinc/56/42/06/1174564206.db2.gz PGDMMFWYLZXXNZ-KGLIPLIRSA-N 2 0 322.453 0.093 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001667701581 1174702406 /nfs/dbraw/zinc/70/24/06/1174702406.db2.gz NJIPOLSHTBCODR-IAGOWNOFSA-N 2 0 321.465 0.899 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001667743315 1174706094 /nfs/dbraw/zinc/70/60/94/1174706094.db2.gz FJGAAXPWVNTHSQ-JKSUJKDBSA-N 2 0 309.454 0.853 20 30 DCEDRP COCC#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001671849492 1175040044 /nfs/dbraw/zinc/04/00/44/1175040044.db2.gz SJXKAVVFKFDHFU-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001671999373 1175059145 /nfs/dbraw/zinc/05/91/45/1175059145.db2.gz XBDKXINAFJNXHH-DOTOQJQBSA-N 2 0 307.438 0.436 20 30 DCEDRP COCC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C2 ZINC001672352518 1175102164 /nfs/dbraw/zinc/10/21/64/1175102164.db2.gz DCEMQRNDZKUWOQ-BJWYYQGGSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCC[N@H+]1CCC[C@](CO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001672496724 1175118190 /nfs/dbraw/zinc/11/81/90/1175118190.db2.gz YCMDWLONLBMOTH-KRWDZBQOSA-N 2 0 309.454 0.847 20 30 DCEDRP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]CC#CCOC)C1)[NH+](C)C ZINC001672896002 1175160125 /nfs/dbraw/zinc/16/01/25/1175160125.db2.gz ADALNDQNYMKFMM-JKSUJKDBSA-N 2 0 309.454 0.805 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001673323243 1175190530 /nfs/dbraw/zinc/19/05/30/1175190530.db2.gz UOKLLDSUHZENDZ-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CCO1 ZINC001673341906 1175193408 /nfs/dbraw/zinc/19/34/08/1175193408.db2.gz HXIBHKDFZDERQK-IRXDYDNUSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001673397240 1175199959 /nfs/dbraw/zinc/19/99/59/1175199959.db2.gz PRVCRVHCOKSTKD-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001676584411 1175464913 /nfs/dbraw/zinc/46/49/13/1175464913.db2.gz WOWWXGMTOJNNFS-CZUORRHYSA-N 2 0 315.433 0.842 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001677441055 1175564628 /nfs/dbraw/zinc/56/46/28/1175564628.db2.gz DXIPIQKFSZBGOH-NFOMZHRRSA-N 2 0 322.453 0.045 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001690159102 1177183051 /nfs/dbraw/zinc/18/30/51/1177183051.db2.gz UFHHQWKXXOYSOC-JKSUJKDBSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001692037093 1177407818 /nfs/dbraw/zinc/40/78/18/1177407818.db2.gz UCFFQBLEQHUOOG-IAGOWNOFSA-N 2 0 321.465 0.800 20 30 DCEDRP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001692046049 1177409299 /nfs/dbraw/zinc/40/92/99/1177409299.db2.gz IDMDEGUIONEKRJ-MRXNPFEDSA-N 2 0 307.438 0.391 20 30 DCEDRP C=C(C)C[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001692046577 1177409682 /nfs/dbraw/zinc/40/96/82/1177409682.db2.gz WVHKXRAANMGLTO-MRXNPFEDSA-N 2 0 309.454 0.944 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001698756014 1177638389 /nfs/dbraw/zinc/63/83/89/1177638389.db2.gz XFZWRLWVEMZVBM-INIZCTEOSA-N 2 0 321.465 0.854 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001699463863 1178149792 /nfs/dbraw/zinc/14/97/92/1178149792.db2.gz KYBXFDLCWMDQBN-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001699798719 1178288634 /nfs/dbraw/zinc/28/86/34/1178288634.db2.gz KABPVSIXMQIFSC-IRXDYDNUSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001699970992 1178401254 /nfs/dbraw/zinc/40/12/54/1178401254.db2.gz DSKBSQWKIQHTQK-CVEARBPZSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH2+]C1CCN(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001699995158 1178413405 /nfs/dbraw/zinc/41/34/05/1178413405.db2.gz LBWPCRJALLPQJD-UHFFFAOYSA-N 2 0 320.481 0.664 20 30 DCEDRP C=C(C)C[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001700001278 1178419933 /nfs/dbraw/zinc/41/99/33/1178419933.db2.gz HZEKGUSRLKOIJA-INMHGKMJSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001700300733 1178572623 /nfs/dbraw/zinc/57/26/23/1178572623.db2.gz COXQDNVCFZTXNC-CVEARBPZSA-N 2 0 319.449 0.580 20 30 DCEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001700325127 1178581699 /nfs/dbraw/zinc/58/16/99/1178581699.db2.gz OXHGNRIJZXMFMZ-HNNXBMFYSA-N 2 0 309.454 0.853 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001707083222 1180413181 /nfs/dbraw/zinc/41/31/81/1180413181.db2.gz QBYLCQYUNJRJKI-BRWVUGGUSA-N 2 0 321.465 0.993 20 30 DCEDRP CC#CCN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001713076841 1180670299 /nfs/dbraw/zinc/67/02/99/1180670299.db2.gz HFMHRTNRPRAJAK-MRXNPFEDSA-N 2 0 306.454 0.085 20 30 DCEDRP C=CCC[NH+]1CCN(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001713078649 1180671697 /nfs/dbraw/zinc/67/16/97/1180671697.db2.gz YRVZJDPDGDLXIT-MRXNPFEDSA-N 2 0 308.470 0.638 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](CCNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001713728695 1181031381 /nfs/dbraw/zinc/03/13/81/1181031381.db2.gz QYYBRTURQHFZHT-OAHLLOKOSA-N 2 0 317.437 0.520 20 30 DCEDRP C#CCC[NH+]1CCN(CCN(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001713745134 1181039706 /nfs/dbraw/zinc/03/97/06/1181039706.db2.gz UYDLDQORKJGBLJ-UHFFFAOYSA-N 2 0 306.454 0.182 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001713755928 1181049695 /nfs/dbraw/zinc/04/96/95/1181049695.db2.gz KOSQOHIOORGYGX-INIZCTEOSA-N 2 0 309.454 0.758 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001714047647 1181224680 /nfs/dbraw/zinc/22/46/80/1181224680.db2.gz DYFASOFVKHZWFP-CVEARBPZSA-N 2 0 307.438 0.416 20 30 DCEDRP COCC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001714200858 1181279930 /nfs/dbraw/zinc/27/99/30/1181279930.db2.gz FHEMMOBKLQURKA-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001714336369 1181325450 /nfs/dbraw/zinc/32/54/50/1181325450.db2.gz RBSULFFUPMWDNA-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC#CCOC)CC[N@@H+]1C ZINC001714392021 1181347525 /nfs/dbraw/zinc/34/75/25/1181347525.db2.gz YZYKNYHFHJBMGE-HRCADAONSA-N 2 0 309.454 0.708 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001714648803 1181460509 /nfs/dbraw/zinc/46/05/09/1181460509.db2.gz URYFBGYGHCUVAO-HNNXBMFYSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001714796362 1181552209 /nfs/dbraw/zinc/55/22/09/1181552209.db2.gz FVOWKPKEXXTXEY-HNNXBMFYSA-N 2 0 322.453 0.048 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001715379224 1181796312 /nfs/dbraw/zinc/79/63/12/1181796312.db2.gz SSVGENZSBYUHJE-LSDHHAIUSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001715415173 1181806886 /nfs/dbraw/zinc/80/68/86/1181806886.db2.gz LRABHTKGMGKAIC-GJZGRUSLSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CC2CCC2)CC1 ZINC001715617275 1181900903 /nfs/dbraw/zinc/90/09/03/1181900903.db2.gz TXSHBJNFEQCKIO-INIZCTEOSA-N 2 0 307.438 0.198 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCN(CC)C(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001715774434 1181989129 /nfs/dbraw/zinc/98/91/29/1181989129.db2.gz WEWJJXALPLCRKF-LSDHHAIUSA-N 2 0 322.453 0.163 20 30 DCEDRP COCC#CC[NH2+]C/C=C\CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001715830542 1182036067 /nfs/dbraw/zinc/03/60/67/1182036067.db2.gz BDYKVWOJXAUUPL-IHWYPQMZSA-N 2 0 319.449 0.774 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715999142 1182138302 /nfs/dbraw/zinc/13/83/02/1182138302.db2.gz XIBFCYWCNUYCIT-GJZGRUSLSA-N 2 0 324.469 0.647 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716217916 1182259937 /nfs/dbraw/zinc/25/99/37/1182259937.db2.gz MEXSIAJXADIZNO-RBSFLKMASA-N 2 0 324.469 0.455 20 30 DCEDRP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001716861034 1182552910 /nfs/dbraw/zinc/55/29/10/1182552910.db2.gz VYROPEUUHOBCKC-NVXWUHKLSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)Cn1ccnc1C ZINC001717145849 1182695320 /nfs/dbraw/zinc/69/53/20/1182695320.db2.gz ZAGWUFOOOICPRH-MRXNPFEDSA-N 2 0 318.421 0.812 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001717279168 1182763720 /nfs/dbraw/zinc/76/37/20/1182763720.db2.gz INZVHCZDUUYXLK-KBPBESRZSA-N 2 0 322.453 0.209 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001717392599 1182816893 /nfs/dbraw/zinc/81/68/93/1182816893.db2.gz JDPUAKQPBAZHSY-WLYUNCDWSA-N 2 0 322.453 0.257 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001717801830 1183007726 /nfs/dbraw/zinc/00/77/26/1183007726.db2.gz IHSDDLWHLFFARL-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001717921385 1183061310 /nfs/dbraw/zinc/06/13/10/1183061310.db2.gz NYLKFBAARTVWGG-OAHLLOKOSA-N 2 0 314.389 0.689 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724410605 1184433661 /nfs/dbraw/zinc/43/36/61/1184433661.db2.gz IJADHBFHGHBMSY-QGZVFWFLSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CCOCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001724623052 1184477704 /nfs/dbraw/zinc/47/77/04/1184477704.db2.gz YMQMFTIDWQQJGZ-WCXIOVBPSA-N 2 0 321.465 0.919 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001724736658 1184540544 /nfs/dbraw/zinc/54/05/44/1184540544.db2.gz CFBGIOTUNYODFB-CABCVRRESA-N 2 0 322.453 0.069 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C2(CNC(=O)CC[NH+](C)C)CCC2)C1=O ZINC001724794686 1184557800 /nfs/dbraw/zinc/55/78/00/1184557800.db2.gz XWBULHUKZUPINZ-CQSZACIVSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001724913571 1184616021 /nfs/dbraw/zinc/61/60/21/1184616021.db2.gz SXGZOYCYYDIJQY-WMZOPIPTSA-N 2 0 321.465 0.827 20 30 DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001724915699 1184618104 /nfs/dbraw/zinc/61/81/04/1184618104.db2.gz XVNTWNDBLIEYAA-KRWDZBQOSA-N 2 0 309.454 0.685 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001725004911 1184653212 /nfs/dbraw/zinc/65/32/12/1184653212.db2.gz ZTNBBFCVFXCSKJ-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001725365485 1184788427 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COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001754243320 1188797861 /nfs/dbraw/zinc/79/78/61/1188797861.db2.gz IHWUONBNYZJTQI-CVEARBPZSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CC[NH+]1CC[C@H](N2CCN(C(=O)CC[N@@H+](C)CCC)CC2)C1 ZINC001754664871 1188899812 /nfs/dbraw/zinc/89/98/12/1188899812.db2.gz JGPJTZMCLIHRGE-KRWDZBQOSA-N 2 0 320.481 0.570 20 30 DCEDRP C=C(C)CCN1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001754766988 1188929819 /nfs/dbraw/zinc/92/98/19/1188929819.db2.gz IFGLZMFZFWXDKO-OAHLLOKOSA-N 2 0 309.454 0.988 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001755154663 1189038176 /nfs/dbraw/zinc/03/81/76/1189038176.db2.gz FACAUDPJTABFBC-HNNXBMFYSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001755182104 1189049932 /nfs/dbraw/zinc/04/99/32/1189049932.db2.gz HHQKDOQKTSFHTD-HZPDHXFCSA-N 2 0 321.465 0.826 20 30 DCEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CCO1 ZINC001755458405 1189117113 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DCEDRP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001077091036 750193794 /nfs/dbraw/zinc/19/37/94/750193794.db2.gz KAAQSAKSHIOICM-BZUAXINKSA-N 2 0 309.454 0.988 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105946453 750595405 /nfs/dbraw/zinc/59/54/05/750595405.db2.gz UJTMFONMEMVSND-OAGGEKHMSA-N 2 0 307.438 0.415 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001046567397 751032826 /nfs/dbraw/zinc/03/28/26/751032826.db2.gz IOEIAFKVPUGMEK-NVXWUHKLSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001106807878 751290290 /nfs/dbraw/zinc/29/02/90/751290290.db2.gz DSKBSQWKIQHTQK-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@H](OC)C1 ZINC001212353496 752645423 /nfs/dbraw/zinc/64/54/23/752645423.db2.gz STXOEQJAIFKHKY-RBSFLKMASA-N 2 0 313.417 0.505 20 30 DCEDRP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001047527339 754360232 /nfs/dbraw/zinc/36/02/32/754360232.db2.gz CSCNPNRXBKELRE-JYJNAYRXSA-N 2 0 309.454 0.798 20 30 DCEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129220203 754570113 /nfs/dbraw/zinc/57/01/13/754570113.db2.gz QVUQHPRSJDZYNK-CABCVRRESA-N 2 0 320.441 0.538 20 30 DCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048831710 754966833 /nfs/dbraw/zinc/96/68/33/754966833.db2.gz AEIYRXXNVKQNIX-YYIAUSFCSA-N 2 0 317.433 0.263 20 30 DCEDRP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833286 754967927 /nfs/dbraw/zinc/96/79/27/754967927.db2.gz MSUYTVGSGVCSIZ-YYIAUSFCSA-N 2 0 319.449 0.816 20 30 DCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@H]2C1 ZINC001048931166 755024589 /nfs/dbraw/zinc/02/45/89/755024589.db2.gz AVXNUSSUGNZZBM-GASCZTMLSA-N 2 0 321.384 0.904 20 30 DCEDRP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049215702 755187107 /nfs/dbraw/zinc/18/71/07/755187107.db2.gz JQDJDUPNDLYCHN-HRCADAONSA-N 2 0 307.438 0.531 20 30 DCEDRP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)O2 ZINC001053698695 756151969 /nfs/dbraw/zinc/15/19/69/756151969.db2.gz SJFBDZLNRJESHP-HUUCEWRRSA-N 2 0 307.438 0.864 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C(C)C)C2 ZINC001108832405 761070034 /nfs/dbraw/zinc/07/00/34/761070034.db2.gz RSMMSNHJHUFBNS-ULQDDVLXSA-N 2 0 321.465 0.946 20 30 DCEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001070217806 761141168 /nfs/dbraw/zinc/14/11/68/761141168.db2.gz STOYFUYZMQZADR-KFWWJZLASA-N 2 0 320.441 0.536 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001070629914 761362125 /nfs/dbraw/zinc/36/21/25/761362125.db2.gz WSCCJSVFAPGQIZ-KFWWJZLASA-N 2 0 315.421 0.032 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001070719061 761412510 /nfs/dbraw/zinc/41/25/10/761412510.db2.gz RDEBSVGRBCGGRR-RBSFLKMASA-N 2 0 317.437 0.442 20 30 DCEDRP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C1CC[NH+](C)CC1)C[C@@H](C)O2 ZINC001071204030 761704160 /nfs/dbraw/zinc/70/41/60/761704160.db2.gz MCNTVRBEVFUOQS-CRAIPNDOSA-N 2 0 319.449 0.653 20 30 DCEDRP C=C(Br)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129436103 762941908 /nfs/dbraw/zinc/94/19/08/762941908.db2.gz MRSWLCFYXYSEDN-NSHDSACASA-N 2 0 304.232 0.941 20 30 DCEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099871432 763089682 /nfs/dbraw/zinc/08/96/82/763089682.db2.gz DBHNFRUWGIOFNY-CABCVRRESA-N 2 0 309.454 0.988 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130192075 763169502 /nfs/dbraw/zinc/16/95/02/763169502.db2.gz GCUOIFGXMMAOPB-UONOGXRCSA-N 2 0 308.426 0.011 20 30 DCEDRP C=CCCC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971657 763177499 /nfs/dbraw/zinc/17/74/99/763177499.db2.gz KUMXYGXKDDXLSI-HUUCEWRRSA-N 2 0 309.454 0.846 20 30 DCEDRP C=CCCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001099985501 763189171 /nfs/dbraw/zinc/18/91/71/763189171.db2.gz CXRFUBVUKRZMFB-HZPDHXFCSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100013309 763215913 /nfs/dbraw/zinc/21/59/13/763215913.db2.gz LGDDIQPATHVBCW-CABCVRRESA-N 2 0 309.454 0.539 20 30 DCEDRP C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C[NH+](CC)CC)C1 ZINC001130430817 763299842 /nfs/dbraw/zinc/29/98/42/763299842.db2.gz JCPURONSVXJJOA-AWEZNQCLSA-N 2 0 317.437 0.790 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100115989 763327081 /nfs/dbraw/zinc/32/70/81/763327081.db2.gz JFSNDSDFXKZLRC-IRXDYDNUSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CCOC)C2)CC1 ZINC001101024812 763925534 /nfs/dbraw/zinc/92/55/34/763925534.db2.gz HMRPBYYUGDLOMB-UHFFFAOYSA-N 2 0 307.438 0.462 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171896 763999927 /nfs/dbraw/zinc/99/99/27/763999927.db2.gz PBDMACJIUWGXQG-RYRKJORJSA-N 2 0 319.449 0.511 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1=O ZINC001132886329 764708719 /nfs/dbraw/zinc/70/87/19/764708719.db2.gz JKWLVPBZSUXYKZ-SOUVJXGZSA-N 2 0 322.453 0.209 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111983661 765444679 /nfs/dbraw/zinc/44/46/79/765444679.db2.gz OCLLVDXWXDWKSF-BQFCYCMXSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001090525364 766153073 /nfs/dbraw/zinc/15/30/73/766153073.db2.gz KWKZADZICWNVOT-CABCVRRESA-N 2 0 319.405 0.530 20 30 DCEDRP C=C(Cl)CN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090540504 766302018 /nfs/dbraw/zinc/30/20/18/766302018.db2.gz PGFFUTVKIKBYAZ-ZIAGYGMSSA-N 2 0 315.845 0.632 20 30 DCEDRP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)C1 ZINC001118506511 766337259 /nfs/dbraw/zinc/33/72/59/766337259.db2.gz OOKHKEBYDRQFFX-IAGOWNOFSA-N 2 0 319.449 0.734 20 30 DCEDRP C#CCN1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001090650345 766437885 /nfs/dbraw/zinc/43/78/85/766437885.db2.gz JUULTPYGARYTOM-SJORKVTESA-N 2 0 315.417 0.546 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC001144165196 766817179 /nfs/dbraw/zinc/81/71/79/766817179.db2.gz YWUKCWYWGGMPTK-UHFFFAOYSA-N 2 0 308.470 0.590 20 30 DCEDRP NC(=O)c1ccc(C(=[NH2+])Nc2ccc(N3CC[NH2+]CC3)nc2)cc1 ZINC001171257052 767316959 /nfs/dbraw/zinc/31/69/59/767316959.db2.gz WDWWSOVHMJDLLQ-UHFFFAOYSA-N 2 0 324.388 0.627 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001160889723 767382333 /nfs/dbraw/zinc/38/23/33/767382333.db2.gz QHCNYKUXJJUJKM-OAHLLOKOSA-N 2 0 324.469 0.623 20 30 DCEDRP COCC#CC[NH2+]C1CC2(CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001121703572 767623620 /nfs/dbraw/zinc/62/36/20/767623620.db2.gz YFWNVTOVZWVVIW-UHFFFAOYSA-N 2 0 307.438 0.605 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881308 768898886 /nfs/dbraw/zinc/89/88/86/768898886.db2.gz KOJQNAYEHUTKNM-HOTGVXAUSA-N 2 0 309.454 0.803 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001150333876 769067174 /nfs/dbraw/zinc/06/71/74/769067174.db2.gz QOFVSHZRPFOIKJ-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCOCC[NH3+])C[C@H]1C#N ZINC001172968070 769521982 /nfs/dbraw/zinc/52/19/82/769521982.db2.gz IADJZWCTLQADLD-OLZOCXBDSA-N 2 0 312.414 0.843 20 30 DCEDRP COc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c(C#N)c1 ZINC001235870241 769953292 /nfs/dbraw/zinc/95/32/92/769953292.db2.gz HXUXEUGYNGZNLD-UHFFFAOYSA-N 2 0 317.437 0.151 20 30 DCEDRP C=CCOc1ccccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870889 769955036 /nfs/dbraw/zinc/95/50/36/769955036.db2.gz LVKVKHXKZHQFCJ-UHFFFAOYSA-N 2 0 318.465 0.836 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC001153896731 769988691 /nfs/dbraw/zinc/98/86/91/769988691.db2.gz SGVCJIVMOOALPE-UHFFFAOYSA-N 2 0 322.497 0.980 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176318958 770083306 /nfs/dbraw/zinc/08/33/06/770083306.db2.gz RIUOGHCNTKPBRO-UHFFFAOYSA-N 2 0 322.453 0.098 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCn2cccn2)CC1 ZINC001176926558 770226983 /nfs/dbraw/zinc/22/69/83/770226983.db2.gz PJUWQBKZQDXBAB-UHFFFAOYSA-N 2 0 317.437 0.324 20 30 DCEDRP COCC#CC[NH2+]CCCCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001180068146 771058603 /nfs/dbraw/zinc/05/86/03/771058603.db2.gz AXHPNLMVWKKVMZ-UHFFFAOYSA-N 2 0 321.465 0.998 20 30 DCEDRP COc1ccc(C#N)cc1C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151048432 771316010 /nfs/dbraw/zinc/31/60/10/771316010.db2.gz BBULQLFVUNYYCH-AWEZNQCLSA-N 2 0 316.405 0.724 20 30 DCEDRP COCC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183408950 771644947 /nfs/dbraw/zinc/64/49/47/771644947.db2.gz DJXSLJMNRCJIDX-SOLBZPMBSA-N 2 0 321.465 0.662 20 30 DCEDRP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158187433 771736254 /nfs/dbraw/zinc/73/62/54/771736254.db2.gz PPKDHXWISAQAOP-NJYZYOCVSA-N 2 0 310.401 0.811 20 30 DCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001184423873 771787151 /nfs/dbraw/zinc/78/71/51/771787151.db2.gz FRFKFPBPNFZMQU-DGNOSDGRSA-N 2 0 303.406 0.063 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001185200631 771879114 /nfs/dbraw/zinc/87/91/14/771879114.db2.gz ZVCAFIVKXHIRIF-OAHLLOKOSA-N 2 0 319.405 0.795 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001159356361 771900499 /nfs/dbraw/zinc/90/04/99/771900499.db2.gz XHSLJIACVUHISQ-LSDHHAIUSA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001186082287 771992425 /nfs/dbraw/zinc/99/24/25/771992425.db2.gz JDTVZFOZVOKTNA-OAHLLOKOSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161051803 772159468 /nfs/dbraw/zinc/15/94/68/772159468.db2.gz BUXWAJLSOZMFMK-UONOGXRCSA-N 2 0 310.442 0.257 20 30 DCEDRP N#Cc1ccc(O[C@@H]2CCCN(C(=O)C[NH2+]CCC[NH3+])C2)cc1 ZINC001161324649 772205615 /nfs/dbraw/zinc/20/56/15/772205615.db2.gz QYCFNNUXXVEHLJ-MRXNPFEDSA-N 2 0 316.405 0.866 20 30 DCEDRP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161550649 772243648 /nfs/dbraw/zinc/24/36/48/772243648.db2.gz NWRVVIHTLGASPW-CVEARBPZSA-N 2 0 310.401 0.826 20 30 DCEDRP COCC#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001161857123 772289963 /nfs/dbraw/zinc/28/99/63/772289963.db2.gz LDARRMHGYZQKJP-KRWDZBQOSA-N 2 0 319.449 0.726 20 30 DCEDRP N#Cc1c(NCCN2CCC([NH3+])CC2)ncc2c1CCC[NH2+]C2 ZINC001161867416 772291420 /nfs/dbraw/zinc/29/14/20/772291420.db2.gz QLOOWGROUYEQMW-UHFFFAOYSA-N 2 0 314.437 0.824 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H](CC)[NH+](C)C)(COC)CC1 ZINC001162320342 772360164 /nfs/dbraw/zinc/36/01/64/772360164.db2.gz KLFQGGBMZPBCGX-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001190222053 772603126 /nfs/dbraw/zinc/60/31/26/772603126.db2.gz YKTPATZCLKFODS-HNNXBMFYSA-N 2 0 317.437 0.614 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166627381 772831606 /nfs/dbraw/zinc/83/16/06/772831606.db2.gz UOBSRQRHXGFVBS-KBPBESRZSA-N 2 0 310.442 0.257 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)COCC[NH+](C)C)C12CCC2 ZINC001203615184 772916005 /nfs/dbraw/zinc/91/60/05/772916005.db2.gz NVTCQIVBIGNOSA-GJZGRUSLSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[NH2+]C[C@H](C)O)CC2)CC1 ZINC001206949254 773145863 /nfs/dbraw/zinc/14/58/63/773145863.db2.gz WQYRMXLQEHRPRZ-HNNXBMFYSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CCNC(=O)CN1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC001195258170 773357474 /nfs/dbraw/zinc/35/74/74/773357474.db2.gz NAFMBNIZUKUCPP-UHFFFAOYSA-N 2 0 306.454 0.228 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209408659 773602431 /nfs/dbraw/zinc/60/24/31/773602431.db2.gz VDUAQTCSNHONNH-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210219063 773687472 /nfs/dbraw/zinc/68/74/72/773687472.db2.gz SGKQOUYYBPFLNT-CQSZACIVSA-N 2 0 310.442 0.211 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210492934 773713815 /nfs/dbraw/zinc/71/38/15/773713815.db2.gz GIFTYRFPHCVCRZ-HUUCEWRRSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001213728140 773880042 /nfs/dbraw/zinc/88/00/42/773880042.db2.gz BVVITNIPAULWNW-HUUCEWRRSA-N 2 0 307.438 0.864 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214610695 774003058 /nfs/dbraw/zinc/00/30/58/774003058.db2.gz CJYCSHUBSWQSRF-BRWVUGGUSA-N 2 0 321.465 0.946 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214645874 774005340 /nfs/dbraw/zinc/00/53/40/774005340.db2.gz HZVXRHZEBSJVAM-DJIMGWMZSA-N 2 0 319.449 0.415 20 30 DCEDRP N#Cc1cc2cccnc2nc1NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001218540888 774242270 /nfs/dbraw/zinc/24/22/70/774242270.db2.gz BVAWHQFCSVYKKZ-LBPRGKRZSA-N 2 0 307.317 0.733 20 30 DCEDRP N#Cc1c2c(sc1NC(=O)[C@H]([NH3+])Cc1cnc[nH]1)C[NH2+]CC2 ZINC001218551368 774244793 /nfs/dbraw/zinc/24/47/93/774244793.db2.gz MSHZBANFLOBHBP-LLVKDONJSA-N 2 0 316.390 0.497 20 30 DCEDRP N#Cc1c(NC(=O)[C@]2(N)CCC[NH2+]C2)sc2c1CC[NH2+]C2 ZINC001218551930 774245195 /nfs/dbraw/zinc/24/51/95/774245195.db2.gz AOIRUCJPSUOSNB-AWEZNQCLSA-N 2 0 305.407 0.285 20 30 DCEDRP N#Cc1c(NC(=O)[C@@H]2C[NH2+]C[C@H](O)C2)sc2c1CC[NH2+]C2 ZINC001218553271 774246229 /nfs/dbraw/zinc/24/62/29/774246229.db2.gz OQMMCYHNGHVWGU-DTWKUNHWSA-N 2 0 306.391 0.174 20 30 DCEDRP N#Cc1c(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)sc2c1CC[NH2+]C2 ZINC001218552854 774246250 /nfs/dbraw/zinc/24/62/50/774246250.db2.gz LARQHHHCEPVLGZ-CYBMUJFWSA-N 3 0 319.434 0.531 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCO1 ZINC001200553833 774361523 /nfs/dbraw/zinc/36/15/23/774361523.db2.gz AZFNTXNCDRFJEY-IXDOHACOSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200687629 774389955 /nfs/dbraw/zinc/38/99/55/774389955.db2.gz DOTTVWDBVFTBKM-HZPDHXFCSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CCCO1 ZINC001200687960 774390651 /nfs/dbraw/zinc/39/06/51/774390651.db2.gz IMWSCDUSYZJRNC-SJORKVTESA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCCO1 ZINC001200704208 774395294 /nfs/dbraw/zinc/39/52/94/774395294.db2.gz JGQNXULFWLUSFH-INIZCTEOSA-N 2 0 307.438 0.701 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CCCO1 ZINC001200851654 774417284 /nfs/dbraw/zinc/41/72/84/774417284.db2.gz QWPXSFCGUFUOES-HNNXBMFYSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCO1 ZINC001201239892 774468857 /nfs/dbraw/zinc/46/88/57/774468857.db2.gz LYKIPCWKPBPGIE-JYJNAYRXSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201334186 774494043 /nfs/dbraw/zinc/49/40/43/774494043.db2.gz GTPZGLADZROGQI-OAHLLOKOSA-N 2 0 313.442 0.348 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201336551 774494975 /nfs/dbraw/zinc/49/49/75/774494975.db2.gz VHJRSERJDMZKSY-CYBMUJFWSA-N 2 0 303.834 0.898 20 30 DCEDRP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220268697 774750822 /nfs/dbraw/zinc/75/08/22/774750822.db2.gz FLYLLBIHKSEDHR-IMJJTQAJSA-N 2 0 309.454 0.844 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994553 774972903 /nfs/dbraw/zinc/97/29/03/774972903.db2.gz WKVYJIFEHAWXBG-CVEARBPZSA-N 2 0 307.438 0.437 20 30 DCEDRP N#CC1(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)Cc2ccccc2C1 ZINC001221367834 775079212 /nfs/dbraw/zinc/07/92/12/775079212.db2.gz UGKKNNUDNROPEZ-CRAIPNDOSA-N 2 0 310.401 0.363 20 30 DCEDRP COCC#CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001222612753 775396914 /nfs/dbraw/zinc/39/69/14/775396914.db2.gz KFVSBIXBRSWGEE-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH+]1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001227807858 776008925 /nfs/dbraw/zinc/00/89/25/776008925.db2.gz ZGYGAJZTGNJHDL-UHFFFAOYSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)CC[NH+](C)C)CC2)C1=O ZINC001228998805 776146123 /nfs/dbraw/zinc/14/61/23/776146123.db2.gz IBEUOWKUTVNGJW-OAHLLOKOSA-N 2 0 322.453 0.306 20 30 DCEDRP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001114832355 776202973 /nfs/dbraw/zinc/20/29/73/776202973.db2.gz PYVBVDSAHVDORJ-LJIGWXMPSA-N 2 0 307.438 0.577 20 30 DCEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001114852218 776254819 /nfs/dbraw/zinc/25/48/19/776254819.db2.gz OLZQJDIEGPWSNP-LJIGWXMPSA-N 2 0 307.438 0.720 20 30 DCEDRP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001041835878 777531727 /nfs/dbraw/zinc/53/17/27/777531727.db2.gz XHQWKGUQWWBLHS-AEFFLSMTSA-N 2 0 319.449 0.512 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001317668504 945156592 /nfs/dbraw/zinc/15/65/92/945156592.db2.gz CWZYQMGVTZMGEO-ZIAGYGMSSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001317811197 945194250 /nfs/dbraw/zinc/19/42/50/945194250.db2.gz JPHDCVKUDPOMGS-MRXNPFEDSA-N 2 0 301.434 0.793 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001266439580 939118857 /nfs/dbraw/zinc/11/88/57/939118857.db2.gz RLRBONGOEMVCRX-HOCLYGCPSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001282929884 939171020 /nfs/dbraw/zinc/17/10/20/939171020.db2.gz URBIDQYBFKKSOY-LSDHHAIUSA-N 2 0 305.422 0.311 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001266738457 939225048 /nfs/dbraw/zinc/22/50/48/939225048.db2.gz JBFIMZPXVXGWAB-UHFFFAOYSA-N 2 0 322.453 0.213 20 30 DCEDRP CC#CC[N@H+](CCNC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001267335553 939428116 /nfs/dbraw/zinc/42/81/16/939428116.db2.gz ZHHSGMQGCHWENB-UHFFFAOYSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C)C1=O ZINC001267474271 939470710 /nfs/dbraw/zinc/47/07/10/939470710.db2.gz OJYLOWSXOKSLBF-AWEZNQCLSA-N 2 0 310.442 0.162 20 30 DCEDRP CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001278369869 945255022 /nfs/dbraw/zinc/25/50/22/945255022.db2.gz AGJIFHQTYVNLTD-LSDHHAIUSA-N 2 0 317.437 0.661 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267601921 939544841 /nfs/dbraw/zinc/54/48/41/939544841.db2.gz TYXBUEYPJPHZEJ-HOTGVXAUSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CC2CCOCC2)CC1 ZINC001481319520 939746004 /nfs/dbraw/zinc/74/60/04/939746004.db2.gz HNHIZIGAXRMRHG-UHFFFAOYSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268085975 939932060 /nfs/dbraw/zinc/93/20/60/939932060.db2.gz LABFDXVCAOHQQF-KGLIPLIRSA-N 2 0 310.442 0.067 20 30 DCEDRP COCC#CCN1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001268114460 939950266 /nfs/dbraw/zinc/95/02/66/939950266.db2.gz RFPHMXFOBJICNR-HZPDHXFCSA-N 2 0 309.454 0.803 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CCOC2CCC2)CC1 ZINC001268716590 940339651 /nfs/dbraw/zinc/33/96/51/940339651.db2.gz HDCKIGNQJPPTIY-HNNXBMFYSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCN1C[C@@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001273145358 945328219 /nfs/dbraw/zinc/32/82/19/945328219.db2.gz WJWKWVUXBDMNGC-WBVHZDCISA-N 2 0 305.422 0.265 20 30 DCEDRP C#CCC[NH2+]C[C@@H](NC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001269128878 940626332 /nfs/dbraw/zinc/62/63/32/940626332.db2.gz BYMMBBPHHXTFEC-MRXNPFEDSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001269199190 940645804 /nfs/dbraw/zinc/64/58/04/940645804.db2.gz IHUNBMURFKPUHR-CABCVRRESA-N 2 0 311.426 0.100 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCOCC)C1 ZINC001269250184 940661866 /nfs/dbraw/zinc/66/18/66/940661866.db2.gz AIKHZHZETRECPJ-HOTGVXAUSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001284517595 940713277 /nfs/dbraw/zinc/71/32/77/940713277.db2.gz WZRFRCUEAIPSJJ-QGZVFWFLSA-N 2 0 323.481 0.881 20 30 DCEDRP C#CC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001284737060 940806748 /nfs/dbraw/zinc/80/67/48/940806748.db2.gz KHRCKQVJYYCUJE-NEPJUHHUSA-N 2 0 305.344 0.940 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+][C@H](C)COC)CC1 ZINC001270193970 940852612 /nfs/dbraw/zinc/85/26/12/940852612.db2.gz NVZCBMITKIUQRX-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCOCC1 ZINC001271080117 941253756 /nfs/dbraw/zinc/25/37/56/941253756.db2.gz VHRLBMOBGFXSNB-UHFFFAOYSA-N 2 0 305.422 0.361 20 30 DCEDRP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001271154111 941292997 /nfs/dbraw/zinc/29/29/97/941292997.db2.gz YKXQGEAPROPFFZ-NVXWUHKLSA-N 2 0 307.438 0.437 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001271518434 941395113 /nfs/dbraw/zinc/39/51/13/941395113.db2.gz HQNFKONLPIZULI-RDJZCZTQSA-N 2 0 321.465 0.805 20 30 DCEDRP CC#CC[NH2+]CC[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001482847174 941688846 /nfs/dbraw/zinc/68/88/46/941688846.db2.gz PZANDRLXWIBYNT-HNNXBMFYSA-N 2 0 309.454 0.853 20 30 DCEDRP C[NH+](C)C[C@@H]1CN(c2cnc(C#N)c(C#N)n2)C[C@H]1C[NH+](C)C ZINC001412891986 942127251 /nfs/dbraw/zinc/12/72/51/942127251.db2.gz KSEJQKRQXIEKSB-CHWSQXEVSA-N 2 0 313.409 0.396 20 30 DCEDRP CC#CC[NH2+]C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C1CC1 ZINC001483560422 942417929 /nfs/dbraw/zinc/41/79/29/942417929.db2.gz FEOAQNHXFOFIHF-MRXNPFEDSA-N 2 0 317.437 0.566 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077443935 942457416 /nfs/dbraw/zinc/45/74/16/942457416.db2.gz CXEDJMQJLHJAOW-BRWVUGGUSA-N 2 0 321.465 0.988 20 30 DCEDRP C#CCN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001483986790 943070696 /nfs/dbraw/zinc/07/06/96/943070696.db2.gz SBPGQQMWAZLJSF-OAHLLOKOSA-N 2 0 321.465 0.635 20 30 DCEDRP C#CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001483988615 943072073 /nfs/dbraw/zinc/07/20/73/943072073.db2.gz HTQFTOWIUKLTSK-CVEARBPZSA-N 2 0 321.465 0.635 20 30 DCEDRP C=C(C)C[NH+]1CC[C@@](O)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001484223988 943217660 /nfs/dbraw/zinc/21/76/60/943217660.db2.gz PXSOIPXZPSPRNZ-DOTOQJQBSA-N 2 0 309.454 0.990 20 30 DCEDRP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001484236463 943239453 /nfs/dbraw/zinc/23/94/53/943239453.db2.gz PNDRJVLDKSQBPJ-AEFFLSMTSA-N 2 0 321.465 0.685 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)CCO1 ZINC001484677672 943508402 /nfs/dbraw/zinc/50/84/02/943508402.db2.gz GITDJSAWLYBODP-CABCVRRESA-N 2 0 313.417 0.507 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001484839513 943589284 /nfs/dbraw/zinc/58/92/84/943589284.db2.gz LCOVWWYUUMZOER-WBVHZDCISA-N 2 0 307.438 0.436 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@](CO)([NH2+]CCC)C2)CC1 ZINC001484854118 943600460 /nfs/dbraw/zinc/60/04/60/943600460.db2.gz CJBDMLHCFVEDQF-SFHVURJKSA-N 2 0 321.465 0.685 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001484963923 943634005 /nfs/dbraw/zinc/63/40/05/943634005.db2.gz ZWRFYISQHTXFRC-UHFFFAOYSA-N 2 0 305.422 0.049 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC(O)(C[NH2+]CC)CC2)CC1 ZINC001484964283 943635381 /nfs/dbraw/zinc/63/53/81/943635381.db2.gz HBIQXTXDDYKARV-UHFFFAOYSA-N 2 0 307.438 0.295 20 30 DCEDRP CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC#CCOC)C[C@H]21)[NH+](C)C ZINC001485624173 944044853 /nfs/dbraw/zinc/04/48/53/944044853.db2.gz QPKOXMWOYMZMOG-LVQVYYBASA-N 2 0 307.438 0.270 20 30 DCEDRP C=CCNC(=O)C[N@@H+](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001485759486 944117200 /nfs/dbraw/zinc/11/72/00/944117200.db2.gz WRDWWOOKCSPUIP-OAHLLOKOSA-N 2 0 324.469 0.552 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC001276778495 944296694 /nfs/dbraw/zinc/29/66/94/944296694.db2.gz MSKYUGWEPKPOPV-JKSUJKDBSA-N 2 0 319.449 0.701 20 30 DCEDRP C=CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001485998385 944472974 /nfs/dbraw/zinc/47/29/74/944472974.db2.gz WNIAVZNWTTVNFF-CABCVRRESA-N 2 0 309.454 0.894 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001277139968 944676145 /nfs/dbraw/zinc/67/61/45/944676145.db2.gz FVNFMZDVOKGYRJ-QWHCGFSZSA-N 2 0 308.426 0.010 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC[C@@H](C)O)C2)CC1 ZINC001316996438 944730649 /nfs/dbraw/zinc/73/06/49/944730649.db2.gz XZLIHTFXKFUDBZ-WBVHZDCISA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCOC)C2)CC1 ZINC001317069886 944773830 /nfs/dbraw/zinc/77/38/30/944773830.db2.gz SLUKYPZCVAUUEG-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317113411 944803193 /nfs/dbraw/zinc/80/31/93/944803193.db2.gz OAXJSTFACLNJAA-MELADBBJSA-N 2 0 322.453 0.398 20 30 DCEDRP CCC[N@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001318485571 945382510 /nfs/dbraw/zinc/38/25/10/945382510.db2.gz ROEJXBXBNJBQJS-MRXNPFEDSA-N 2 0 309.454 0.901 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001318979726 945475781 /nfs/dbraw/zinc/47/57/81/945475781.db2.gz USTJUQCSNKFYSD-RBSFLKMASA-N 2 0 324.469 0.646 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CCOCC)CC1 ZINC001319132537 945501779 /nfs/dbraw/zinc/50/17/79/945501779.db2.gz PCSJQDIRKUKAET-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001319271333 945538750 /nfs/dbraw/zinc/53/87/50/945538750.db2.gz YZALHGYRLQOLRW-KBPBESRZSA-N 2 0 322.453 0.115 20 30 DCEDRP C#CCOC[C@@H](O)CNc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001251832597 945788915 /nfs/dbraw/zinc/78/89/15/945788915.db2.gz NNNKIENHPRLSDE-AWEZNQCLSA-N 2 0 304.394 0.256 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]C[C@@H](C)CC)CC1 ZINC001320316707 945818936 /nfs/dbraw/zinc/81/89/36/945818936.db2.gz NNOSKCRVSSVNSY-GOEBONIOSA-N 2 0 309.454 0.444 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001278652910 945874729 /nfs/dbraw/zinc/87/47/29/945874729.db2.gz GRXJJZHZJNDDKK-AEFFLSMTSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCOCC1 ZINC001278714825 946110316 /nfs/dbraw/zinc/11/03/16/946110316.db2.gz GOAYTFHTXRXMAB-UHFFFAOYSA-N 2 0 319.449 0.893 20 30 DCEDRP C=C[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001253576507 946131723 /nfs/dbraw/zinc/13/17/23/946131723.db2.gz FOJZOUINHLIKLA-GVDBMIGSSA-N 2 0 321.465 0.940 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CCO1 ZINC001273261989 946341986 /nfs/dbraw/zinc/34/19/86/946341986.db2.gz ZXLKWPIXRSIUKP-JKSUJKDBSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCOCC)CC1 ZINC001324439058 947426121 /nfs/dbraw/zinc/42/61/21/947426121.db2.gz FMKFDNJZXWALRV-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP OCC12CCC(CC1)[NH+]2CC#CC[N@H+]1C2CCC1(CO)CC2 ZINC001262313747 947648189 /nfs/dbraw/zinc/64/81/89/947648189.db2.gz TVEJXRSAQWFVSY-UHFFFAOYSA-N 2 0 304.434 0.968 20 30 DCEDRP C=CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001325109715 947657495 /nfs/dbraw/zinc/65/74/95/947657495.db2.gz GVUQGRUFRYLPOO-WBVHZDCISA-N 2 0 309.454 0.846 20 30 DCEDRP C=CCCC[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001263099668 947808334 /nfs/dbraw/zinc/80/83/34/947808334.db2.gz QUJLMEHDNZHFEK-GJZGRUSLSA-N 2 0 324.469 0.729 20 30 DCEDRP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001273801922 948103139 /nfs/dbraw/zinc/10/31/39/948103139.db2.gz LCZGAQHMIOBULA-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001326341585 948133368 /nfs/dbraw/zinc/13/33/68/948133368.db2.gz WJKNEGDQLHHSPC-HUUCEWRRSA-N 2 0 309.458 0.397 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001327563745 948552600 /nfs/dbraw/zinc/55/26/00/948552600.db2.gz NFGZGKMIHFJKFT-LZLYRXPVSA-N 2 0 321.465 0.683 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[NH+]1CCCC1 ZINC001264008544 948828727 /nfs/dbraw/zinc/82/87/27/948828727.db2.gz SUWRHKPHJZUMPB-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001264078843 948867720 /nfs/dbraw/zinc/86/77/20/948867720.db2.gz SDHCAFRADPTOPU-HZPDHXFCSA-N 2 0 307.438 0.247 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1OCC ZINC001264527084 948996297 /nfs/dbraw/zinc/99/62/97/948996297.db2.gz UGFNLHIHEGZXEY-BRWVUGGUSA-N 2 0 321.465 0.967 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)CCOC)CC1 ZINC001328799269 949101365 /nfs/dbraw/zinc/10/13/65/949101365.db2.gz XFFNXLWLIQAADL-KRWDZBQOSA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001265590535 949794391 /nfs/dbraw/zinc/79/43/91/949794391.db2.gz BVGXSAYCZROOMP-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001265681506 949871107 /nfs/dbraw/zinc/87/11/07/949871107.db2.gz BILWFNBRZGGGIP-CABCVRRESA-N 2 0 324.469 0.600 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCOCC)C[C@@H]2C1 ZINC001279371531 950552568 /nfs/dbraw/zinc/55/25/68/950552568.db2.gz QBVJVTJDRFKRPU-BBWFWOEESA-N 2 0 319.449 0.511 20 30 DCEDRP CC#CC[NH2+]C1CCN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001279432036 950573129 /nfs/dbraw/zinc/57/31/29/950573129.db2.gz WYCDNOACDKWWAI-KRWDZBQOSA-N 2 0 322.497 0.766 20 30 DCEDRP C#CC[NH2+]C1CCN(CCNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001279453290 950578236 /nfs/dbraw/zinc/57/82/36/950578236.db2.gz HXPRKZVJRNFMSO-SFHVURJKSA-N 2 0 318.465 0.276 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001490476045 950724959 /nfs/dbraw/zinc/72/49/59/950724959.db2.gz ZGWCCVXNYDEVDR-MRXNPFEDSA-N 2 0 306.454 0.085 20 30 DCEDRP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001280095974 950768678 /nfs/dbraw/zinc/76/86/78/950768678.db2.gz SKSVVXJVHNVAHI-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC#CCOC ZINC001280458294 950880229 /nfs/dbraw/zinc/88/02/29/950880229.db2.gz YMGMHVLJYRAVGP-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001280770700 951077956 /nfs/dbraw/zinc/07/79/56/951077956.db2.gz VWCHWMIOVZZGCD-MRXNPFEDSA-N 2 0 319.449 0.703 20 30 DCEDRP COCC#CC[N@H+](C)CCCN(C)C(=O)Cn1ccnc1C ZINC001280883209 951137760 /nfs/dbraw/zinc/13/77/60/951137760.db2.gz GSTTYRBVOUHTGJ-UHFFFAOYSA-N 2 0 306.410 0.622 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)[C@H](F)C[NH+](CC)CC)CCOCC1 ZINC001273974111 951204535 /nfs/dbraw/zinc/20/45/35/951204535.db2.gz BMWBTZPESDFHLO-CQSZACIVSA-N 2 0 313.417 0.555 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC#CCOC ZINC001274075653 951399926 /nfs/dbraw/zinc/39/99/26/951399926.db2.gz FPVTYGSLEFDIMY-APHBUQMISA-N 2 0 307.438 0.773 20 30 DCEDRP C=CCNC(=O)CN1CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001332199439 951519052 /nfs/dbraw/zinc/51/90/52/951519052.db2.gz PGTNPMPASXDONZ-KGLIPLIRSA-N 2 0 310.442 0.209 20 30 DCEDRP CC[C@H](C(=O)N1CCC(C)([NH2+]CC#CCOC)CC1)[NH+](C)C ZINC001274393684 951608405 /nfs/dbraw/zinc/60/84/05/951608405.db2.gz QCNTUCUNAHIGLW-OAHLLOKOSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC001332386786 951625024 /nfs/dbraw/zinc/62/50/24/951625024.db2.gz GLMOEDFRWVVDDM-INIZCTEOSA-N 2 0 321.465 0.947 20 30 DCEDRP C[NH+]1CCC(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC001335366900 952526544 /nfs/dbraw/zinc/52/65/44/952526544.db2.gz JJURERLWNYDLPL-UHFFFAOYSA-N 2 0 322.434 0.658 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001341664740 953243346 /nfs/dbraw/zinc/24/33/46/953243346.db2.gz DZMDJIZWDOSFKL-VXGBXAGGSA-N 2 0 322.375 0.622 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001281820547 953375905 /nfs/dbraw/zinc/37/59/05/953375905.db2.gz IQEUKDQZRJNVPJ-GASCZTMLSA-N 2 0 307.438 0.436 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001316614970 953395944 /nfs/dbraw/zinc/39/59/44/953395944.db2.gz KXABWBJRGUHUGM-GASCZTMLSA-N 2 0 317.437 0.566 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001281893402 953408279 /nfs/dbraw/zinc/40/82/79/953408279.db2.gz RVYRZZGWFJMRDB-GJZGRUSLSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCOCC[NH+]1CC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001282739464 953665447 /nfs/dbraw/zinc/66/54/47/953665447.db2.gz UTAPOKONHAOMGN-AWEZNQCLSA-N 2 0 307.438 0.721 20 30 DCEDRP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001284493037 955126674 /nfs/dbraw/zinc/12/66/74/955126674.db2.gz PMHOFOSXBYIOAF-OWCLPIDISA-N 2 0 309.454 0.491 20 30 DCEDRP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1cncn1C ZINC001284516087 955148082 /nfs/dbraw/zinc/14/80/82/955148082.db2.gz HVIRNWVJSCYVDV-OAHLLOKOSA-N 2 0 308.426 0.680 20 30 DCEDRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001352850914 955794723 /nfs/dbraw/zinc/79/47/23/955794723.db2.gz ZGMAXZLDZFMCCO-AWEZNQCLSA-N 2 0 308.426 0.721 20 30 DCEDRP C=C(Cl)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001377161665 959601989 /nfs/dbraw/zinc/60/19/89/959601989.db2.gz ZEYJFCODMDMKEB-HIFRSBDPSA-N 2 0 315.845 0.776 20 30 DCEDRP C=CCOCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001317521859 960268346 /nfs/dbraw/zinc/26/83/46/960268346.db2.gz FKDNSEWNLYJGTE-NVXWUHKLSA-N 2 0 321.465 0.969 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC#CCOC)C2)CC1 ZINC001317069547 960340823 /nfs/dbraw/zinc/34/08/23/960340823.db2.gz PRRLPESFWBYXAP-KRWDZBQOSA-N 2 0 317.433 0.172 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001393593169 993111118 /nfs/dbraw/zinc/11/11/18/993111118.db2.gz ROTBYEQNXZIYFK-AWEZNQCLSA-N 2 0 315.845 0.898 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C)C1=O ZINC001507117810 1015997663 /nfs/dbraw/zinc/99/76/63/1015997663.db2.gz JAYJACSSQUGPFG-KGLIPLIRSA-N 2 0 310.442 0.162 20 30 DCEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001507231209 1016154147 /nfs/dbraw/zinc/15/41/47/1016154147.db2.gz YDXPGUUGHLXTCG-NVXWUHKLSA-N 2 0 321.465 0.874 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001420152607 1001948327 /nfs/dbraw/zinc/94/83/27/1001948327.db2.gz IGACUKIQSJPOBQ-LBPRGKRZSA-N 2 0 301.818 0.434 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001442975336 1009991580 /nfs/dbraw/zinc/99/15/80/1009991580.db2.gz QBGPUXWKBGLCAB-CQSZACIVSA-N 2 0 310.442 0.163 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001423481422 1011178580 /nfs/dbraw/zinc/17/85/80/1011178580.db2.gz PZMBFIZJPXGQTL-LBPRGKRZSA-N 2 0 301.818 0.244 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001457083853 1011586023 /nfs/dbraw/zinc/58/60/23/1011586023.db2.gz PVAJEZLYGJTTRG-UHFFFAOYSA-N 2 0 309.454 0.944 20 30 DCEDRP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001497111118 1017878564 /nfs/dbraw/zinc/87/85/64/1017878564.db2.gz PGEJETOLFRGKGX-KRWDZBQOSA-N 2 0 315.417 0.201 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]C[C@H](CC)OC)CC2)CC1 ZINC001499458215 1017940377 /nfs/dbraw/zinc/94/03/77/1017940377.db2.gz BMNIJHMKTGKUQA-INIZCTEOSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001479988330 1018094649 /nfs/dbraw/zinc/09/46/49/1018094649.db2.gz OQURSIQZSSJLJT-INIZCTEOSA-N 2 0 319.449 0.703 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480114880 1018219340 /nfs/dbraw/zinc/21/93/40/1018219340.db2.gz SHAXBMXAVXLGJZ-AWEZNQCLSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@H](C)COC)C2)CC1 ZINC001480122051 1018222062 /nfs/dbraw/zinc/22/20/62/1018222062.db2.gz IOGFALWQSLTDPI-ZBFHGGJFSA-N 2 0 307.438 0.557 20 30 DCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001480614652 1018709153 /nfs/dbraw/zinc/70/91/53/1018709153.db2.gz FCMRBFIJXKNOAC-AWEZNQCLSA-N 2 0 303.410 0.272 20 30 DCEDRP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001501359477 1019094711 /nfs/dbraw/zinc/09/47/11/1019094711.db2.gz DHKKBCHXLTWBEA-QGZVFWFLSA-N 2 0 309.454 0.685 20 30 DCEDRP C=CCC[NH+]1CCC[C@@](CO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001501359493 1019095688 /nfs/dbraw/zinc/09/56/88/1019095688.db2.gz DKNBPXOLCOSLQF-NVXWUHKLSA-N 2 0 309.454 0.847 20 30 DCEDRP COCC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001493726191 1019661386 /nfs/dbraw/zinc/66/13/86/1019661386.db2.gz QZHPPXRREVOAEZ-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CCO1 ZINC001502088131 1019700832 /nfs/dbraw/zinc/70/08/32/1019700832.db2.gz WRWIMURDRIKKJR-ZDUSSCGKSA-N 2 0 303.834 0.898 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000491656343 533104856 /nfs/dbraw/zinc/10/48/56/533104856.db2.gz SFEAFXHXLWNBQF-MRXNPFEDSA-N 2 0 323.485 0.267 20 30 DCEDRP CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000595978004 396702324 /nfs/dbraw/zinc/70/23/24/396702324.db2.gz RPMXPKWSYYDYKU-CVEARBPZSA-N 2 0 321.469 0.634 20 30 DCEDRP C[NH2+]CCCc1[nH]nc(NC(=O)C[N@H+](C)C2CCC2)c1C#N ZINC000600814987 396949664 /nfs/dbraw/zinc/94/96/64/396949664.db2.gz NBGHKCOISLOWNP-UHFFFAOYSA-N 2 0 304.398 0.856 20 30 DCEDRP C[NH+](C)CCOc1ccccc1CNC(=[NH2+])N1CCOCC1 ZINC000104180664 415622973 /nfs/dbraw/zinc/62/29/73/415622973.db2.gz WEDVOVPOATXVII-UHFFFAOYSA-N 2 0 306.410 0.774 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000491503906 416603117 /nfs/dbraw/zinc/60/31/17/416603117.db2.gz FNTPZRXWLZRDCH-MRXNPFEDSA-N 2 0 324.469 0.694 20 30 DCEDRP C#CCN1CCN(C(=O)CN(CC)Cc2ccncc2)CC1 ZINC000490891268 416576546 /nfs/dbraw/zinc/57/65/46/416576546.db2.gz CELXENWAQNMXGD-UHFFFAOYSA-N 2 0 300.406 0.681 20 30 DCEDRP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000491748700 416623747 /nfs/dbraw/zinc/62/37/47/416623747.db2.gz TXVFCRVQBLTPML-MRXNPFEDSA-N 2 0 324.469 0.598 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000576169208 417586755 /nfs/dbraw/zinc/58/67/55/417586755.db2.gz BIHHGLJJLIJFLW-NWDGAFQWSA-N 2 0 305.382 0.610 20 30 DCEDRP C=CCCn1cc(C[NH2+]CCN2CCC([NH+](C)C)CC2)nn1 ZINC000657386702 417854959 /nfs/dbraw/zinc/85/49/59/417854959.db2.gz JQKCSCAYHXQNTD-UHFFFAOYSA-N 2 0 306.458 0.970 20 30 DCEDRP C=CC[C@]1(C(=O)NCCCC[NH+]2CCN(C)CC2)CCC[NH2+]1 ZINC000662758737 417893771 /nfs/dbraw/zinc/89/37/71/417893771.db2.gz SIEPZGWRLGCRFN-QGZVFWFLSA-N 2 0 308.470 0.829 20 30 DCEDRP C=CC[C@]1(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000662820253 417916237 /nfs/dbraw/zinc/91/62/37/417916237.db2.gz RVNDWUSUNGYTEV-SQWLQELKSA-N 2 0 303.410 0.372 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654431628 418144608 /nfs/dbraw/zinc/14/46/08/418144608.db2.gz UAQZJENCGDKURL-JKSUJKDBSA-N 2 0 322.453 0.487 20 30 DCEDRP C[NH+]=C(NC[C@@H]1COCCO1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262505220 276842995 /nfs/dbraw/zinc/84/29/95/276842995.db2.gz ZPRRVDNKSFSLTE-HUUCEWRRSA-N 2 0 310.442 0.537 20 30 DCEDRP CC[NH+]=C(NC[C@@H]1COCCO1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262471397 280841257 /nfs/dbraw/zinc/84/12/57/280841257.db2.gz OYDJFGBTEOYOEG-HZPDHXFCSA-N 2 0 324.469 0.928 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000433401682 338194747 /nfs/dbraw/zinc/19/47/47/338194747.db2.gz UGWSBJRPOITVQJ-AWEZNQCLSA-N 2 0 318.425 0.583 20 30 DCEDRP C[NH+]=C(NCCn1cc(C)cn1)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261995998 526367706 /nfs/dbraw/zinc/36/77/06/526367706.db2.gz SKZDERQQXQVDES-ZFWWWQNUSA-N 2 0 304.442 0.839 20 30 DCEDRP C[NH+]=C(NC[C@@H](C)N1CC[NH+](C)CC1)N(C)Cc1cccn1C ZINC000160901487 526369386 /nfs/dbraw/zinc/36/93/86/526369386.db2.gz GTPKHPVSSSPUPR-OAHLLOKOSA-N 2 0 320.485 0.668 20 30 DCEDRP C[NH+]=C(NCc1nnc2n1CCC2)NC1CC[NH+](C(C)C)CC1 ZINC000262147405 526392149 /nfs/dbraw/zinc/39/21/49/526392149.db2.gz ADKMPIRDMIJCJA-UHFFFAOYSA-N 2 0 319.457 0.762 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](C)[C@@H](C)CC)CC1 ZINC000359262875 526417538 /nfs/dbraw/zinc/41/75/38/526417538.db2.gz HFVLEZDMALIOHX-AWEZNQCLSA-N 2 0 324.469 0.600 20 30 DCEDRP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N(C)Cc1ccon1 ZINC000261836169 528811130 /nfs/dbraw/zinc/81/11/30/528811130.db2.gz WBJNKIQDJIHQTL-CQSZACIVSA-N 2 0 308.430 0.318 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C(=O)NC)c1 ZINC000264090625 529073082 /nfs/dbraw/zinc/07/30/82/529073082.db2.gz KVYOIJSOFJUNLJ-OAHLLOKOSA-N 2 0 317.437 0.935 20 30 DCEDRP C=C[C@@H](O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000667680518 546637395 /nfs/dbraw/zinc/63/73/95/546637395.db2.gz JAZSAUZIRAZGGZ-OAHLLOKOSA-N 2 0 304.394 0.257 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)C[C@H](C)O)C2)CC1 ZINC000980479407 660947664 /nfs/dbraw/zinc/94/76/64/660947664.db2.gz VTGXJFCAXBFETH-GOEBONIOSA-N 2 0 307.438 0.245 20 30 DCEDRP C=CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000981645348 661188936 /nfs/dbraw/zinc/18/89/36/661188936.db2.gz ATVYAIKJXZGMSV-CKDBGZEDSA-N 2 0 305.422 0.570 20 30 DCEDRP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC000949244487 657489558 /nfs/dbraw/zinc/48/95/58/657489558.db2.gz KDOZRUYVMVSOSA-OAHLLOKOSA-N 2 0 307.438 0.818 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)CC1 ZINC001021469439 657854223 /nfs/dbraw/zinc/85/42/23/657854223.db2.gz CVCVNUFPXBKXJI-ALOPSCKCSA-N 2 0 319.449 0.436 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](CCOC)C2)CC1 ZINC000970919820 658081202 /nfs/dbraw/zinc/08/12/02/658081202.db2.gz GVCKFYITRRIEGK-CQSZACIVSA-N 2 0 307.438 0.415 20 30 DCEDRP CC#CCN1CCO[C@@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000972638893 658140236 /nfs/dbraw/zinc/14/02/36/658140236.db2.gz OPSZIUYEHOQIKQ-AEFFLSMTSA-N 2 0 319.449 0.655 20 30 DCEDRP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000972295140 658533330 /nfs/dbraw/zinc/53/33/30/658533330.db2.gz QYTSNOQKSSPSEA-RDJZCZTQSA-N 2 0 307.438 0.960 20 30 DCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000999180192 665595013 /nfs/dbraw/zinc/59/50/13/665595013.db2.gz FXMVRQAYXJAOSH-AWEZNQCLSA-N 2 0 303.410 0.272 20 30 DCEDRP C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000972374620 658634664 /nfs/dbraw/zinc/63/46/64/658634664.db2.gz QYBFUJPOYPCXCN-AEFFLSMTSA-N 2 0 319.449 0.796 20 30 DCEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001027498519 659627621 /nfs/dbraw/zinc/62/76/21/659627621.db2.gz HMHMFKAGGZHLFN-NDUQDZPOSA-N 2 0 317.433 0.406 20 30 DCEDRP C[NH+]=C(NC[C@]1(O)CCSC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262459386 662394758 /nfs/dbraw/zinc/39/47/58/662394758.db2.gz XGSBXSPRQTXPBS-DZGCQCFKSA-N 2 0 310.467 0.376 20 30 DCEDRP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000989543383 662957220 /nfs/dbraw/zinc/95/72/20/662957220.db2.gz KZNXWYRCWXNSRZ-UKRRQHHQSA-N 2 0 305.426 0.823 20 30 DCEDRP C=CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001000712424 665920229 /nfs/dbraw/zinc/92/02/29/665920229.db2.gz BBBWUACCYUNPDM-CVEARBPZSA-N 2 0 305.422 0.784 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000900642592 663261315 /nfs/dbraw/zinc/26/13/15/663261315.db2.gz WPSUOKUADBRXLW-UHFFFAOYSA-N 2 0 324.469 0.553 20 30 DCEDRP C#CCC[NH+]1CCC(NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900797929 663281030 /nfs/dbraw/zinc/28/10/30/663281030.db2.gz JLOWMEKIWYBDLY-KRWDZBQOSA-N 2 0 307.438 0.437 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)[C@H]1CCCN1Cc1ccccn1 ZINC000913519165 664337476 /nfs/dbraw/zinc/33/74/76/664337476.db2.gz QGUNDSRKDXHVFC-MRXNPFEDSA-N 2 0 300.406 0.727 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCOC)[C@H]2C)CC1 ZINC000994493564 665116317 /nfs/dbraw/zinc/11/63/17/665116317.db2.gz DTJKKORRUHDXMS-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2C[NH+](C[C@H]3CCCOC3)C2)CC1 ZINC001031437325 665149228 /nfs/dbraw/zinc/14/92/28/665149228.db2.gz YXGVVEJPRKNYQP-OAHLLOKOSA-N 2 0 319.449 0.559 20 30 DCEDRP C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000925452623 665169416 /nfs/dbraw/zinc/16/94/16/665169416.db2.gz XBVDZMYFBOXYGU-LSDHHAIUSA-N 2 0 322.453 0.837 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC001002145504 666135865 /nfs/dbraw/zinc/13/58/65/666135865.db2.gz QQWXBYFRNIHSPJ-OAHLLOKOSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC001002145498 666135995 /nfs/dbraw/zinc/13/59/95/666135995.db2.gz QQWXBYFRNIHSPJ-HNNXBMFYSA-N 2 0 321.465 0.541 20 30 DCEDRP C=C(C)C[NH+]1CC(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001032043624 666213150 /nfs/dbraw/zinc/21/31/50/666213150.db2.gz KDOKTTFWCKNPTA-UHFFFAOYSA-N 2 0 305.426 0.682 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001003007312 666260379 /nfs/dbraw/zinc/26/03/79/666260379.db2.gz GFIBFAQBKWSLRJ-KRWDZBQOSA-N 2 0 319.449 0.844 20 30 DCEDRP CC#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001003333732 666295929 /nfs/dbraw/zinc/29/59/29/666295929.db2.gz SNWUOOHPUPCLAL-HQVVEAJESA-N 2 0 317.433 0.454 20 30 DCEDRP C#CCN1CC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033905447 666863962 /nfs/dbraw/zinc/86/39/62/666863962.db2.gz LEYADBDOYMSNDN-GARNVTTQSA-N 2 0 317.433 0.406 20 30 DCEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000996811770 666917581 /nfs/dbraw/zinc/91/75/81/666917581.db2.gz JBXURCVXUXVLHB-GULBITTBSA-N 2 0 303.406 0.063 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@H](C)O)CC1 ZINC001005518469 666943269 /nfs/dbraw/zinc/94/32/69/666943269.db2.gz LLFYWGNDEIZYJC-HOCLYGCPSA-N 2 0 307.438 0.388 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C[C@@H]1C ZINC001036310924 667435398 /nfs/dbraw/zinc/43/53/98/667435398.db2.gz NFUZWBCMOWOZPG-RDJZCZTQSA-N 2 0 301.434 0.791 20 30 DCEDRP Cn1c(C#N)ccc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870018315 667698608 /nfs/dbraw/zinc/69/86/08/667698608.db2.gz YOOHNFSFFCORQA-ZIAGYGMSSA-N 2 0 317.437 0.708 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000838623823 667701602 /nfs/dbraw/zinc/70/16/02/667701602.db2.gz PPAOCDXDWDFXER-UHFFFAOYSA-N 2 0 310.442 0.352 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000875621912 668352504 /nfs/dbraw/zinc/35/25/04/668352504.db2.gz CSMXVLIGYKZNAZ-AWEZNQCLSA-N 2 0 310.442 0.086 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926153187 668379987 /nfs/dbraw/zinc/37/99/87/668379987.db2.gz MROBEAYWCTYFLZ-PNBKFKSVSA-N 2 0 309.454 0.700 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](NC(=O)C(=C)C[NH+](C)C)C(C)C ZINC000764510983 668451501 /nfs/dbraw/zinc/45/15/01/668451501.db2.gz ZHXYUOWTJWOKHN-HNNXBMFYSA-N 2 0 324.469 0.479 20 30 DCEDRP C[NH+]1CCN(c2ccc(C=[NH+]NCCS(C)(=O)=O)cc2)CC1 ZINC000771559645 668742891 /nfs/dbraw/zinc/74/28/91/668742891.db2.gz JMKMAODTKNCNFD-UHFFFAOYSA-N 2 0 324.450 0.407 20 30 DCEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036856468 670223641 /nfs/dbraw/zinc/22/36/41/670223641.db2.gz RVDWZHYGIYHCFY-NVXWUHKLSA-N 2 0 319.449 0.653 20 30 DCEDRP C#CCN1CCOC2(CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000949383137 670328970 /nfs/dbraw/zinc/32/89/70/670328970.db2.gz YHRQRGQOLZMZEJ-UHFFFAOYSA-N 2 0 319.449 0.797 20 30 DCEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000849105132 670757902 /nfs/dbraw/zinc/75/79/02/670757902.db2.gz CVUANYQMGZPGJO-INIZCTEOSA-N 2 0 323.485 0.501 20 30 DCEDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000832281081 671713211 /nfs/dbraw/zinc/71/32/11/671713211.db2.gz SDLPUUOKMRCZTF-GJZGRUSLSA-N 2 0 303.410 0.890 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(=O)NC)cc1 ZINC000303882680 685207914 /nfs/dbraw/zinc/20/79/14/685207914.db2.gz IHDNDNNPWKVTMU-HNNXBMFYSA-N 2 0 317.437 0.935 20 30 DCEDRP C[C@H]1CCC[N@H+](CCNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303883921 685207984 /nfs/dbraw/zinc/20/79/84/685207984.db2.gz IWSWNIVVFXAHRE-HNNXBMFYSA-N 2 0 311.474 0.345 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NCCCN1CCOCC1 ZINC000304760491 685211666 /nfs/dbraw/zinc/21/16/66/685211666.db2.gz SLYBHDBQQWQNFZ-OAHLLOKOSA-N 2 0 311.474 0.487 20 30 DCEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC000958171747 687403298 /nfs/dbraw/zinc/40/32/98/687403298.db2.gz LERXYJFRGLJBBL-HUUCEWRRSA-N 2 0 307.438 0.457 20 30 DCEDRP CC#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958600354 687786870 /nfs/dbraw/zinc/78/68/70/687786870.db2.gz ZLQZKRZZOXSXFX-BBRMVZONSA-N 2 0 316.405 0.193 20 30 DCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000961763491 688725714 /nfs/dbraw/zinc/72/57/14/688725714.db2.gz LLMVJACUMVUPSY-XJIUQZFPSA-N 2 0 307.413 0.879 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015324183 692264771 /nfs/dbraw/zinc/26/47/71/692264771.db2.gz MQDVYNYCWACMQN-GYMHETDLSA-N 2 0 303.406 0.063 20 30 DCEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015827041 692458112 /nfs/dbraw/zinc/45/81/12/692458112.db2.gz MANFJGNMWTZTTR-HNNXBMFYSA-N 2 0 305.426 0.825 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001019241524 693404618 /nfs/dbraw/zinc/40/46/18/693404618.db2.gz FGVKZOBQKFJXMY-SOUVJXGZSA-N 2 0 320.437 0.058 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001073605152 694750140 /nfs/dbraw/zinc/75/01/40/694750140.db2.gz BTMHCLUEBSHHLT-IAGOWNOFSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C1CC[NH+](CC#C)CC1 ZINC001571608461 1162859514 /nfs/dbraw/zinc/85/95/14/1162859514.db2.gz HUCZDDXUNWIJFB-KRWDZBQOSA-N 2 0 319.449 0.106 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001691123075 1157589062 /nfs/dbraw/zinc/58/90/62/1157589062.db2.gz AGHCWNKTDIMYOX-SOUVJXGZSA-N 2 0 322.453 0.115 20 30 DCEDRP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001725146328 1157701943 /nfs/dbraw/zinc/70/19/43/1157701943.db2.gz GQLMICSGYFNBMS-HNNXBMFYSA-N 2 0 309.454 0.662 20 30 DCEDRP CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)CC[N@@H+](C)CCC)CCO1 ZINC001755458406 1158143954 /nfs/dbraw/zinc/14/39/54/1158143954.db2.gz DJAZBZSVXKRJPG-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001755618381 1158206135 /nfs/dbraw/zinc/20/61/35/1158206135.db2.gz LBIIBXPKODFZQI-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001752812854 1158249064 /nfs/dbraw/zinc/24/90/64/1158249064.db2.gz RQLOWHVBRSYCKE-CVEARBPZSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CCNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001566466284 1159993942 /nfs/dbraw/zinc/99/39/42/1159993942.db2.gz VFHVJINZBMTGRT-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CC[NH+]1CCN(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001566650762 1160112339 /nfs/dbraw/zinc/11/23/39/1160112339.db2.gz UCGSXYWQKPLMSW-UHFFFAOYSA-N 2 0 308.470 0.781 20 30 DCEDRP CC[C@H](C(=O)N[C@@H]1CC12CC[NH+](CC#CCOC)CC2)[NH+](C)C ZINC001566689130 1160129890 /nfs/dbraw/zinc/12/98/90/1160129890.db2.gz HIJMCLYIHSBJOL-HZPDHXFCSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCCCOC)C2)CC1 ZINC001566863424 1160170195 /nfs/dbraw/zinc/17/01/95/1160170195.db2.gz WBLBSKDFXWZRHO-CALCHBBNSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCOCC=C)C2)CC1 ZINC001567849414 1160499625 /nfs/dbraw/zinc/49/96/25/1160499625.db2.gz XUBWNJGDASHHBC-UHFFFAOYSA-N 2 0 319.449 0.582 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568274175 1160617935 /nfs/dbraw/zinc/61/79/35/1160617935.db2.gz SMJLMTSNNQEDAH-DZGCQCFKSA-N 2 0 322.453 0.067 20 30 DCEDRP CC#CC[NH2+]C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C1CC1 ZINC001569324010 1161013088 /nfs/dbraw/zinc/01/30/88/1161013088.db2.gz NPBFLGZJAJNOOK-INIZCTEOSA-N 2 0 317.437 0.566 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001569765727 1161235346 /nfs/dbraw/zinc/23/53/46/1161235346.db2.gz QKMJCTNYWXCLAB-QGZVFWFLSA-N 2 0 307.438 0.439 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC#CCOC)C1 ZINC001569851226 1161285004 /nfs/dbraw/zinc/28/50/04/1161285004.db2.gz RUVMQQRGRPAGLI-HOTGVXAUSA-N 2 0 309.454 0.662 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001570274655 1161532816 /nfs/dbraw/zinc/53/28/16/1161532816.db2.gz IOOGLFDCHMTIBF-GOSISDBHSA-N 2 0 321.465 0.902 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001570294455 1161552019 /nfs/dbraw/zinc/55/20/19/1161552019.db2.gz VLKBEXWHTCNXPO-DOTOQJQBSA-N 2 0 309.454 0.539 20 30 DCEDRP C#CCN(C(=O)N[C@H]1C[NH2+]CCC1(F)F)C1CC[NH+](C)CC1 ZINC001574583121 1163732471 /nfs/dbraw/zinc/73/24/71/1163732471.db2.gz FQVIINCXSGVUID-ZDUSSCGKSA-N 2 0 314.380 0.723 20 30 DCEDRP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cc1 ZINC001579198832 1165234558 /nfs/dbraw/zinc/23/45/58/1165234558.db2.gz DBLRXQUZINVXKP-BPUTZDHNSA-N 2 0 316.405 0.962 20 30 DCEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001580043883 1165484574 /nfs/dbraw/zinc/48/45/74/1165484574.db2.gz SAPLZHYOCLDQKI-SWLSCSKDSA-N 2 0 314.393 0.461 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001580043879 1165484788 /nfs/dbraw/zinc/48/47/88/1165484788.db2.gz SAPLZHYOCLDQKI-DOMZBBRYSA-N 2 0 314.393 0.461 20 30 DCEDRP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C[C@H](O)C[NH3+])CC2)cc1 ZINC001580066738 1165490340 /nfs/dbraw/zinc/49/03/40/1165490340.db2.gz RZZSJEFHPUKCEE-INIZCTEOSA-N 2 0 316.405 0.302 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)CC1 ZINC001637487532 1171768951 /nfs/dbraw/zinc/76/89/51/1171768951.db2.gz MCUSNWSRSJDKHZ-UHFFFAOYSA-N 2 0 318.465 0.037 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001646799696 1172539448 /nfs/dbraw/zinc/53/94/48/1172539448.db2.gz WVHUQRWUITWLRF-NEPJUHHUSA-N 2 0 301.818 0.813 20 30 DCEDRP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001656585387 1173868951 /nfs/dbraw/zinc/86/89/51/1173868951.db2.gz MPWVZRMJTCZRHF-CVEARBPZSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001656784209 1173885492 /nfs/dbraw/zinc/88/54/92/1173885492.db2.gz MPBPQZYQBAXYTD-MRXNPFEDSA-N 2 0 309.454 0.637 20 30 DCEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001661601311 1174139326 /nfs/dbraw/zinc/13/93/26/1174139326.db2.gz JUVUQSFJYOBOGZ-OKILXGFUSA-N 2 0 303.410 0.318 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001662790674 1174241367 /nfs/dbraw/zinc/24/13/67/1174241367.db2.gz JRVAZFSQQDPYRT-HZPDHXFCSA-N 2 0 319.449 0.749 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001663599514 1174328747 /nfs/dbraw/zinc/32/87/47/1174328747.db2.gz WSXQFOZRHXFFKH-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP CC#CC[N@H+](CCC)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001663689130 1174342738 /nfs/dbraw/zinc/34/27/38/1174342738.db2.gz ZCGKDLFBMDISGG-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]CC#CCOC ZINC001665892858 1174572151 /nfs/dbraw/zinc/57/21/51/1174572151.db2.gz IHJPEJMXRBBADN-HZPDHXFCSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CCC(C)C)CC1 ZINC001667939827 1174736054 /nfs/dbraw/zinc/73/60/54/1174736054.db2.gz SAJXGMUGDGFZIM-INIZCTEOSA-N 2 0 309.454 0.444 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001671297676 1175007889 /nfs/dbraw/zinc/00/78/89/1175007889.db2.gz FPELQRFQZNLOMQ-HNNXBMFYSA-N 2 0 317.437 0.662 20 30 DCEDRP C=CC[NH2+]C1CCN(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001672467690 1175110501 /nfs/dbraw/zinc/11/05/01/1175110501.db2.gz BZZKGFRQYMIWQA-HNNXBMFYSA-N 2 0 308.470 0.684 20 30 DCEDRP COCC(C)(C)[NH+]1CCN(C(=O)NCC#CC[NH+](C)C)CC1 ZINC001676930403 1175504577 /nfs/dbraw/zinc/50/45/77/1175504577.db2.gz OYVGSQCIJNTGGX-UHFFFAOYSA-N 2 0 310.442 0.304 20 30 DCEDRP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001677173691 1175542752 /nfs/dbraw/zinc/54/27/52/1175542752.db2.gz AVDKQICQQOZMGA-INIZCTEOSA-N 2 0 309.454 0.493 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C1CC(N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001677439204 1175564287 /nfs/dbraw/zinc/56/42/87/1175564287.db2.gz OXAXABJTQJZHSK-NFOMZHRRSA-N 2 0 322.453 0.045 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001691758164 1175688623 /nfs/dbraw/zinc/68/86/23/1175688623.db2.gz UUEQMRMJWSUILT-OAGGEKHMSA-N 2 0 307.438 0.462 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001688950412 1176662829 /nfs/dbraw/zinc/66/28/29/1176662829.db2.gz ICGVVKLGLABSKL-KBUPBQIOSA-N 2 0 322.453 0.113 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001689793474 1177043841 /nfs/dbraw/zinc/04/38/41/1177043841.db2.gz MAUJTSTVBGJQIN-KBPBESRZSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001690092086 1177169369 /nfs/dbraw/zinc/16/93/69/1177169369.db2.gz VMHNATLNNVIUBB-HOTGVXAUSA-N 2 0 307.438 0.721 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001690628453 1177286849 /nfs/dbraw/zinc/28/68/49/1177286849.db2.gz NBWPBLJADJNLSQ-JKSUJKDBSA-N 2 0 309.454 0.993 20 30 DCEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC#CCOC ZINC001699033844 1177780822 /nfs/dbraw/zinc/78/08/22/1177780822.db2.gz GMWQYXRTLFOVPR-JKSUJKDBSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]C[C@@H](C)OC)CC1 ZINC001699220311 1177952215 /nfs/dbraw/zinc/95/22/15/1177952215.db2.gz PZRAAYBINYJZSI-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP CC#CC[NH2+]C/C=C\CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001699323630 1178067469 /nfs/dbraw/zinc/06/74/69/1178067469.db2.gz ZSUCZSXIYUSMOT-SREVYHEPSA-N 2 0 303.410 0.344 20 30 DCEDRP C=CCOCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699442013 1178139656 /nfs/dbraw/zinc/13/96/56/1178139656.db2.gz NQWJMEDWCMNBLD-ZBFHGGJFSA-N 2 0 309.454 0.967 20 30 DCEDRP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001699901112 1178354845 /nfs/dbraw/zinc/35/48/45/1178354845.db2.gz LKGXEMNMKUTWHJ-DOTOQJQBSA-N 2 0 309.454 0.683 20 30 DCEDRP COCC#CC[NH2+]CC1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001700381049 1178602900 /nfs/dbraw/zinc/60/29/00/1178602900.db2.gz LZLSPRSEARLGRP-FHERZECASA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[N@@H+](C)CCOCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001700706405 1178717405 /nfs/dbraw/zinc/71/74/05/1178717405.db2.gz SGKVDJGMCMWJHL-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CCOCC)CC1 ZINC001700781722 1178739256 /nfs/dbraw/zinc/73/92/56/1178739256.db2.gz ZLCLFPMZCSQAOT-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CCN1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001707057880 1180404887 /nfs/dbraw/zinc/40/48/87/1180404887.db2.gz ZMKBQPDVEIENIK-OAHLLOKOSA-N 2 0 305.422 0.265 20 30 DCEDRP C#CCC[NH+]1CCN(CCCNC(=O)C[NH+]2CCCC2)CC1 ZINC001713804552 1181081533 /nfs/dbraw/zinc/08/15/33/1181081533.db2.gz SWAIJVVZMMGHQN-UHFFFAOYSA-N 2 0 306.454 0.229 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCCN(CC)CC(=O)NC(C)C ZINC001714582063 1181425648 /nfs/dbraw/zinc/42/56/48/1181425648.db2.gz BDBOWHSKRHHKCY-HNNXBMFYSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001715078053 1181683011 /nfs/dbraw/zinc/68/30/11/1181683011.db2.gz XDWHCWXNWJBXBT-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)C2CC[NH+](C)CC2)C1=O ZINC001715991924 1182135216 /nfs/dbraw/zinc/13/52/16/1182135216.db2.gz AFQIMISFNFTLGC-DZGCQCFKSA-N 2 0 322.453 0.209 20 30 DCEDRP C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](C)NC(=O)C[NH+]2CCCC2)C1=O ZINC001716506277 1182419007 /nfs/dbraw/zinc/41/90/07/1182419007.db2.gz YWVKLTUBCCMDGB-HUUCEWRRSA-N 2 0 322.453 0.306 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001716549102 1182437305 /nfs/dbraw/zinc/43/73/05/1182437305.db2.gz OEKTZSHRRDCNOW-LSDHHAIUSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+][C@@H](CC)C(N)=O)CC1 ZINC001716586070 1182457009 /nfs/dbraw/zinc/45/70/09/1182457009.db2.gz NDOAUHJNWZHIFR-HNNXBMFYSA-N 2 0 322.453 0.034 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001717293156 1182769188 /nfs/dbraw/zinc/76/91/88/1182769188.db2.gz HMEJMXWXBOBGAH-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001717319250 1182778555 /nfs/dbraw/zinc/77/85/55/1182778555.db2.gz ZVXNFELWKIJEJV-OAHLLOKOSA-N 2 0 307.438 0.457 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001717750990 1182978310 /nfs/dbraw/zinc/97/83/10/1182978310.db2.gz UDEYRUPSKARYTA-ZIAGYGMSSA-N 2 0 322.453 0.209 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC1(C)C ZINC001717902635 1183049453 /nfs/dbraw/zinc/04/94/53/1183049453.db2.gz BRUDBEHWPWRFSI-CQSZACIVSA-N 2 0 324.469 0.457 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001723919463 1184361989 /nfs/dbraw/zinc/36/19/89/1184361989.db2.gz QVKIZBFULBCNTD-INIZCTEOSA-N 2 0 319.449 0.845 20 30 DCEDRP C=CCCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001724400795 1184430129 /nfs/dbraw/zinc/43/01/29/1184430129.db2.gz FHILFPRCHYGBFK-RDJZCZTQSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCC[N@H+]1CC[C@](O)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001724428003 1184439488 /nfs/dbraw/zinc/43/94/88/1184439488.db2.gz SBXUMIQPSXXFHX-KRWDZBQOSA-N 2 0 309.454 0.992 20 30 DCEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001724552659 1184462967 /nfs/dbraw/zinc/46/29/67/1184462967.db2.gz DVHZFIYHNIOXLC-JKSUJKDBSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H](C[NH2+]CCCO)C2)CC1 ZINC001724610986 1184473044 /nfs/dbraw/zinc/47/30/44/1184473044.db2.gz XCJCMUDJVJAGBP-DOTOQJQBSA-N 2 0 321.465 0.398 20 30 DCEDRP C#CC[NH2+]C1CCN(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001724627861 1184479173 /nfs/dbraw/zinc/47/91/73/1184479173.db2.gz BPZALHVRKKJIFY-QGZVFWFLSA-N 2 0 318.465 0.132 20 30 DCEDRP COCC#CC[N@H+]1C[C@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001724628061 1184480338 /nfs/dbraw/zinc/48/03/38/1184480338.db2.gz ZSIOZRXSWZAZFL-YESZJQIVSA-N 2 0 319.449 0.368 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001724842844 1184588271 /nfs/dbraw/zinc/58/82/71/1184588271.db2.gz JITIJFRUQJGKEA-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP CC#CC[N@H+](C)CCCN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001724862086 1184594243 /nfs/dbraw/zinc/59/42/43/1184594243.db2.gz YYKLHOQHFZAGTI-MRXNPFEDSA-N 2 0 309.454 0.758 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001724913567 1184616748 /nfs/dbraw/zinc/61/67/48/1184616748.db2.gz SXGZOYCYYDIJQY-FUHWJXTLSA-N 2 0 321.465 0.827 20 30 DCEDRP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001725365700 1184787888 /nfs/dbraw/zinc/78/78/88/1184787888.db2.gz BGMIOGRFROTDAM-KOMQPUFPSA-N 2 0 317.437 0.566 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(C)C)CC1 ZINC001725726051 1184976504 /nfs/dbraw/zinc/97/65/04/1184976504.db2.gz YRJHMBFAZBGIDR-KRWDZBQOSA-N 2 0 323.481 0.739 20 30 DCEDRP C=CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001731366367 1185299982 /nfs/dbraw/zinc/29/99/82/1185299982.db2.gz ZGLKGPOIOSCSSR-MRXNPFEDSA-N 2 0 308.470 0.781 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001731441439 1185333915 /nfs/dbraw/zinc/33/39/15/1185333915.db2.gz GDMQGNFZTGPQPU-SYQHCUMBSA-N 2 0 308.426 0.008 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001731446758 1185337115 /nfs/dbraw/zinc/33/71/15/1185337115.db2.gz HUWOYUPCXSAXNY-ULQDDVLXSA-N 2 0 321.465 0.993 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001731673974 1185439246 /nfs/dbraw/zinc/43/92/46/1185439246.db2.gz IHAJWWOECRGCGA-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001731700194 1185448180 /nfs/dbraw/zinc/44/81/80/1185448180.db2.gz QICXEQVPZREEKC-CABCVRRESA-N 2 0 322.453 0.095 20 30 DCEDRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH+](C)CC#CCOC)C1 ZINC001731782206 1185484474 /nfs/dbraw/zinc/48/44/74/1185484474.db2.gz GRNWTYPQGLGRNC-INIZCTEOSA-N 2 0 309.454 0.806 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001731860089 1185537091 /nfs/dbraw/zinc/53/70/91/1185537091.db2.gz IEFRHCBABBWBNX-HZPDHXFCSA-N 2 0 309.454 0.969 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001732456094 1185826134 /nfs/dbraw/zinc/82/61/34/1185826134.db2.gz WGFHRYOVJFDIIM-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001732618014 1185875580 /nfs/dbraw/zinc/87/55/80/1185875580.db2.gz KZXGCHIYOUACLI-JKSUJKDBSA-N 2 0 321.465 0.853 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001733172575 1186169275 /nfs/dbraw/zinc/16/92/75/1186169275.db2.gz HCVUWKZMUMIJTI-DLBZAZTESA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001733340751 1186233221 /nfs/dbraw/zinc/23/32/21/1186233221.db2.gz RBSULFFUPMWDNA-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CCOCC1 ZINC001733473917 1186282959 /nfs/dbraw/zinc/28/29/59/1186282959.db2.gz QRRMVIPASDCSOT-UHFFFAOYSA-N 2 0 307.438 0.751 20 30 DCEDRP C=CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001733493271 1186301780 /nfs/dbraw/zinc/30/17/80/1186301780.db2.gz RCACRFOUYFINBR-WBVHZDCISA-N 2 0 309.454 0.990 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001733822549 1186462354 /nfs/dbraw/zinc/46/23/54/1186462354.db2.gz MHGYURKGXWPSQT-QGZVFWFLSA-N 2 0 305.422 0.049 20 30 DCEDRP C#CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001734202219 1186578323 /nfs/dbraw/zinc/57/83/23/1186578323.db2.gz RJRDRUZMTYYDKK-MRXNPFEDSA-N 2 0 319.449 0.703 20 30 DCEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001734374239 1186631378 /nfs/dbraw/zinc/63/13/78/1186631378.db2.gz ABPBVNZOXQQRKE-QGZVFWFLSA-N 2 0 317.433 0.494 20 30 DCEDRP COCC#CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001752286993 1188411665 /nfs/dbraw/zinc/41/16/65/1188411665.db2.gz KSRLTAKFYAISLR-UHFFFAOYSA-N 2 0 319.449 0.703 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001752775355 1188438786 /nfs/dbraw/zinc/43/87/86/1188438786.db2.gz HXQISOZUUJVHQP-OWCLPIDISA-N 2 0 307.438 0.747 20 30 DCEDRP C=CCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001753344315 1188569822 /nfs/dbraw/zinc/56/98/22/1188569822.db2.gz ZPWXFBYDDUAOIJ-INIZCTEOSA-N 2 0 308.470 0.733 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001753837932 1188662453 /nfs/dbraw/zinc/66/24/53/1188662453.db2.gz MBBKQDQRFRGDTL-MRXNPFEDSA-N 2 0 309.454 0.708 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C)C1=O ZINC001754296371 1188812617 /nfs/dbraw/zinc/81/26/17/1188812617.db2.gz JNNNSINVCVLGIR-UONOGXRCSA-N 2 0 310.442 0.208 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001754612573 1188890013 /nfs/dbraw/zinc/89/00/13/1188890013.db2.gz YPXUPMNPMUKISM-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCC[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001754758762 1188925341 /nfs/dbraw/zinc/92/53/41/1188925341.db2.gz DSJPVBBFOOOAPE-YOEHRIQHSA-N 2 0 320.437 0.870 20 30 DCEDRP C=C(C)CCN1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001754766987 1188929676 /nfs/dbraw/zinc/92/96/76/1188929676.db2.gz IFGLZMFZFWXDKO-HNNXBMFYSA-N 2 0 309.454 0.988 20 30 DCEDRP C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001755679022 1189182593 /nfs/dbraw/zinc/18/25/93/1189182593.db2.gz RGFYDRUKTDCGTO-LSDHHAIUSA-N 2 0 317.437 0.661 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001106986546 751710857 /nfs/dbraw/zinc/71/08/57/751710857.db2.gz UYKRESGYLOQCBA-IXDOHACOSA-N 2 0 321.465 0.662 20 30 DCEDRP C#CCCC[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001209266872 746987257 /nfs/dbraw/zinc/98/72/57/746987257.db2.gz FICNGRFQWGSGIN-UHFFFAOYSA-N 2 0 320.481 0.570 20 30 DCEDRP C#CC[NH+](CCO)C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001098570848 747435443 /nfs/dbraw/zinc/43/54/43/747435443.db2.gz IOWHIBARARYMCY-IYBDPMFKSA-N 2 0 321.465 0.778 20 30 DCEDRP C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](CC)[NH+](C)C)C2)nn1 ZINC001105268786 748092493 /nfs/dbraw/zinc/09/24/93/748092493.db2.gz YYCYUUKYPAVDRE-OAHLLOKOSA-N 2 0 320.441 0.667 20 30 DCEDRP C=CCC[NH2+]Cc1cn(C2CN(C(=O)CCC[NH+](C)C)C2)nn1 ZINC001105315338 748123769 /nfs/dbraw/zinc/12/37/69/748123769.db2.gz ILGFNOJDIPMJKR-UHFFFAOYSA-N 2 0 320.441 0.669 20 30 DCEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757121 749978222 /nfs/dbraw/zinc/97/82/22/749978222.db2.gz JUVWEDRODHILCH-GQGDVANPSA-N 2 0 305.422 0.615 20 30 DCEDRP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083522176 750090921 /nfs/dbraw/zinc/09/09/21/750090921.db2.gz WMJJZARKICNVHH-XHSDSOJGSA-N 2 0 307.438 0.149 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106250226 751065233 /nfs/dbraw/zinc/06/52/33/751065233.db2.gz YIMXLEFKISPTEN-OIISXLGYSA-N 2 0 321.465 0.661 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127327878 751123083 /nfs/dbraw/zinc/12/30/83/751123083.db2.gz ZNGSMDCVFQZJJR-CQSZACIVSA-N 2 0 322.453 0.095 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC=C)C[C@H]2O)CC1 ZINC001078226946 753122137 /nfs/dbraw/zinc/12/21/37/753122137.db2.gz AVEWTKVILUUUJS-HZPDHXFCSA-N 2 0 305.422 0.069 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(C)C)C[C@H]2O)CC1 ZINC001078227198 753122554 /nfs/dbraw/zinc/12/25/54/753122554.db2.gz NSIVUWQAHYVIQZ-HZPDHXFCSA-N 2 0 307.438 0.149 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC2CC2)C1 ZINC001078413434 753231356 /nfs/dbraw/zinc/23/13/56/753231356.db2.gz SXNYAQYWBQJZEJ-IRXDYDNUSA-N 2 0 319.449 0.701 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C12CCC2 ZINC001078818919 753393239 /nfs/dbraw/zinc/39/32/39/753393239.db2.gz FOMOKXFJSNBUAQ-IRXDYDNUSA-N 2 0 313.445 0.982 20 30 DCEDRP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046077725 753469047 /nfs/dbraw/zinc/46/90/47/753469047.db2.gz YDADATYTVRNNMY-DLBZAZTESA-N 2 0 320.481 0.733 20 30 DCEDRP C#CCC[N@H+]1CC[C@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046325939 753646494 /nfs/dbraw/zinc/64/64/94/753646494.db2.gz FFIMERIJAAUKJY-KRWDZBQOSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046501293 753752612 /nfs/dbraw/zinc/75/26/12/753752612.db2.gz MZKHXHWMCHEGET-OGOZQZCJSA-N 2 0 303.406 0.063 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)[C@H](C)C1 ZINC001044872149 754221109 /nfs/dbraw/zinc/22/11/09/754221109.db2.gz OFFMRUNMCXOBOB-WBVHZDCISA-N 2 0 301.434 0.934 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001128782775 754282567 /nfs/dbraw/zinc/28/25/67/754282567.db2.gz BRGOJRJFNAYGAL-KBPBESRZSA-N 2 0 310.442 0.257 20 30 DCEDRP CC#CCN1CCO[C@@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001108164636 754586927 /nfs/dbraw/zinc/58/69/27/754586927.db2.gz YLTVLHFANZTYJO-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049215425 755185986 /nfs/dbraw/zinc/18/59/86/755185986.db2.gz CZSSILBCMYLTMF-ZACQAIPSSA-N 2 0 321.465 0.921 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC001090355492 755666194 /nfs/dbraw/zinc/66/61/94/755666194.db2.gz PVBGNWGFPJZELZ-HZPDHXFCSA-N 2 0 321.465 0.990 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)C[C@@H]21 ZINC001084911280 758120148 /nfs/dbraw/zinc/12/01/48/758120148.db2.gz UXCVOCSRQVTJGC-PMPSAXMXSA-N 2 0 305.422 0.263 20 30 DCEDRP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001051995962 759096961 /nfs/dbraw/zinc/09/69/61/759096961.db2.gz HRBIEZHPFDZPTQ-IAGOWNOFSA-N 2 0 318.465 0.322 20 30 DCEDRP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117677 759190893 /nfs/dbraw/zinc/19/08/93/759190893.db2.gz XBIXISGCYIDQDB-DLBZAZTESA-N 2 0 318.465 0.180 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148174571 767930425 /nfs/dbraw/zinc/93/04/25/767930425.db2.gz PKWQJNRJLMQCFE-UHFFFAOYSA-N 2 0 307.438 0.512 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001148292807 767960189 /nfs/dbraw/zinc/96/01/89/767960189.db2.gz UPCMOJMWTSGXHE-HZPDHXFCSA-N 2 0 319.449 0.368 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169126590 760586741 /nfs/dbraw/zinc/58/67/41/760586741.db2.gz AALBJMHLCOYFBX-UHFFFAOYSA-N 2 0 310.442 0.116 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129358112 761004541 /nfs/dbraw/zinc/00/45/41/761004541.db2.gz QDQWSOQOPFDCHY-UHFFFAOYSA-N 2 0 324.469 0.601 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070275338 761160267 /nfs/dbraw/zinc/16/02/67/761160267.db2.gz HEFNCORMRHPIKM-KFWWJZLASA-N 2 0 318.425 0.147 20 30 DCEDRP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC001090435822 761671465 /nfs/dbraw/zinc/67/14/65/761671465.db2.gz KQEPIEASQULOHT-LSDHHAIUSA-N 2 0 300.362 0.685 20 30 DCEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC001090437200 761691600 /nfs/dbraw/zinc/69/16/00/761691600.db2.gz ZLVVMWWLKXDAGW-HZPDHXFCSA-N 2 0 312.373 0.523 20 30 DCEDRP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@H](C)O2 ZINC001071227223 761724581 /nfs/dbraw/zinc/72/45/81/761724581.db2.gz BEBRBZCLTBPNLP-MAUKXSAKSA-N 2 0 319.449 0.960 20 30 DCEDRP C#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC2(CCOCC2)C1 ZINC001099589361 762907366 /nfs/dbraw/zinc/90/73/66/762907366.db2.gz WZSSXZMCKIGFCS-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114298440 762926554 /nfs/dbraw/zinc/92/65/54/762926554.db2.gz KTQJUSXOZAULPW-SUJAAXHWSA-N 2 0 305.422 0.023 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129985425 763070550 /nfs/dbraw/zinc/07/05/50/763070550.db2.gz WUVXHWWYIJEZSK-KGLIPLIRSA-N 2 0 306.414 0.147 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130096353 763122898 /nfs/dbraw/zinc/12/28/98/763122898.db2.gz FSMWHTANBCNASP-CABCVRRESA-N 2 0 320.441 0.538 20 30 DCEDRP C=CCOCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001100064585 763272606 /nfs/dbraw/zinc/27/26/06/763272606.db2.gz OLVVLXJPYHLATL-CABCVRRESA-N 2 0 313.442 0.082 20 30 DCEDRP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100073960 763282714 /nfs/dbraw/zinc/28/27/14/763282714.db2.gz IBZXWBIHJKELQM-HUUCEWRRSA-N 2 0 307.438 0.600 20 30 DCEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100127577 763335833 /nfs/dbraw/zinc/33/58/33/763335833.db2.gz WZKNLSBILPIWKU-JKSUJKDBSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001100343823 763506586 /nfs/dbraw/zinc/50/65/86/763506586.db2.gz VAYHGJYKSVEYDV-PRLABOORSA-N 2 0 307.438 0.461 20 30 DCEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001100605598 763677863 /nfs/dbraw/zinc/67/78/63/763677863.db2.gz KLQAFEAWEXMQHT-UYSNPLJNSA-N 2 0 307.438 0.603 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001100678859 763720402 /nfs/dbraw/zinc/72/04/02/763720402.db2.gz ZNPSBVWVCXFVTQ-FHERZECASA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131555732 763866583 /nfs/dbraw/zinc/86/65/83/763866583.db2.gz UJZDNVDGKZQPGR-WBVHZDCISA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369988 764618755 /nfs/dbraw/zinc/61/87/55/764618755.db2.gz MXZDHIYXSWYYAC-GVDBMIGSSA-N 2 0 321.465 0.662 20 30 DCEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203353 768241401 /nfs/dbraw/zinc/24/14/01/768241401.db2.gz LKQFEMYHFIKNOH-WBVHZDCISA-N 2 0 301.434 0.886 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@H](C[NH2+]CCO)C2)CC1 ZINC001133338041 764933255 /nfs/dbraw/zinc/93/32/55/764933255.db2.gz SDQZNLBKYYIJSG-DOTOQJQBSA-N 2 0 321.465 0.398 20 30 DCEDRP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001103724623 765113035 /nfs/dbraw/zinc/11/30/35/765113035.db2.gz MSAKQDZHBUQCMA-BRWVUGGUSA-N 2 0 321.465 0.662 20 30 DCEDRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001133865694 765191676 /nfs/dbraw/zinc/19/16/76/765191676.db2.gz FDKPBBNLFPDNKI-BBRMVZONSA-N 2 0 300.406 0.962 20 30 DCEDRP C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861526 765410796 /nfs/dbraw/zinc/41/07/96/765410796.db2.gz RONVCEGVXJXQDY-YOEHRIQHSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134759001 765656968 /nfs/dbraw/zinc/65/69/68/765656968.db2.gz DYIQBEWSLBBANV-CQSZACIVSA-N 2 0 310.442 0.257 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001134780665 765671145 /nfs/dbraw/zinc/67/11/45/765671145.db2.gz QXTHPJYGGHETCS-OAHLLOKOSA-N 2 0 322.453 0.211 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001115292692 765678062 /nfs/dbraw/zinc/67/80/62/765678062.db2.gz SZGMAHYEGXZXDH-VQFNDLOPSA-N 2 0 319.449 0.559 20 30 DCEDRP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124866659 768316210 /nfs/dbraw/zinc/31/62/10/768316210.db2.gz IINHFYDCAZPXHS-GJZGRUSLSA-N 2 0 324.469 0.600 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135391208 765914398 /nfs/dbraw/zinc/91/43/98/765914398.db2.gz RDQSIFOOEGBKBX-LSDHHAIUSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001135804906 766124476 /nfs/dbraw/zinc/12/44/76/766124476.db2.gz QWAQLPMUDASOGX-HUUCEWRRSA-N 2 0 309.454 0.993 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090573813 766328209 /nfs/dbraw/zinc/32/82/09/766328209.db2.gz PAXVDLYMMLRNLX-GJZGRUSLSA-N 2 0 309.454 0.846 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146591379 767484538 /nfs/dbraw/zinc/48/45/38/767484538.db2.gz GKTCRYYMOVKYLI-ZIAGYGMSSA-N 2 0 312.458 0.502 20 30 DCEDRP CC[NH+](CC)CC(=O)NC1CC2(C1)CC([NH2+]CC#CCOC)C2 ZINC001121935056 767672855 /nfs/dbraw/zinc/67/28/55/767672855.db2.gz FOMPIOKXBICNAZ-UHFFFAOYSA-N 2 0 321.465 0.995 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149855167 768886974 /nfs/dbraw/zinc/88/69/74/768886974.db2.gz WELANAGHRVMIFW-INIZCTEOSA-N 2 0 307.438 0.701 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001150417591 769090123 /nfs/dbraw/zinc/09/01/23/769090123.db2.gz OLIUHQORLJPGGD-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CC[N@@H+]1CCCO[C@H](CNC(=O)CCN2CCOCC2)C1 ZINC001150453434 769100106 /nfs/dbraw/zinc/10/01/06/769100106.db2.gz TYNZZCWHHGLMBS-OAHLLOKOSA-N 2 0 311.426 0.102 20 30 DCEDRP C[NH+](C)CCN1CC[N@H+](Cc2ccc(C#N)cc2[O-])CCC1=O ZINC001233386751 769365043 /nfs/dbraw/zinc/36/50/43/769365043.db2.gz HLIJVRXVYDUNNH-UHFFFAOYSA-N 2 0 316.405 0.860 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC[C@H]2CCOC2)CC1 ZINC001152330471 769528889 /nfs/dbraw/zinc/52/88/89/769528889.db2.gz OKKDKXWCXZEXPB-HNNXBMFYSA-N 2 0 307.438 0.464 20 30 DCEDRP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](CC#C)CC1)C2 ZINC001095063832 769563210 /nfs/dbraw/zinc/56/32/10/769563210.db2.gz CEMKBDRRYHNESR-JQHSSLGASA-N 2 0 313.445 0.934 20 30 DCEDRP N#CCc1ccccc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236312192 769995242 /nfs/dbraw/zinc/99/52/42/769995242.db2.gz POBCNPGLTUPBKU-UHFFFAOYSA-N 2 0 317.437 0.368 20 30 DCEDRP C#Cc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001236312734 769996252 /nfs/dbraw/zinc/99/62/52/769996252.db2.gz YAKKIAXWJUQARW-UHFFFAOYSA-N 2 0 302.422 0.284 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176574106 770128524 /nfs/dbraw/zinc/12/85/24/770128524.db2.gz RCJVSCYJRJAVKI-HNNXBMFYSA-N 2 0 322.453 0.096 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176986321 770273280 /nfs/dbraw/zinc/27/32/80/770273280.db2.gz KSAQQIRZGYOFNZ-AWEZNQCLSA-N 2 0 310.442 0.259 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176996739 770285966 /nfs/dbraw/zinc/28/59/66/770285966.db2.gz ARCIBFBATOOONB-MRXNPFEDSA-N 2 0 324.469 0.505 20 30 DCEDRP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898298 770330314 /nfs/dbraw/zinc/33/03/14/770330314.db2.gz GSAUOPQUOXUCJB-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155024444 770370065 /nfs/dbraw/zinc/37/00/65/770370065.db2.gz ZZZVJMNYUQYCHM-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)[C@H]1C ZINC001180023631 771052472 /nfs/dbraw/zinc/05/24/72/771052472.db2.gz CFOAAENLXBGISO-BQFCYCMXSA-N 2 0 319.449 0.701 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCCCCNC(=O)C[NH+]1CCCC1 ZINC001180270472 771090545 /nfs/dbraw/zinc/09/05/45/771090545.db2.gz XFBQMIBNBCNZLD-UHFFFAOYSA-N 2 0 324.469 0.651 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](CC)C[C@H](C)O)CC1 ZINC001157092350 771532519 /nfs/dbraw/zinc/53/25/19/771532519.db2.gz SZNVGYFWIRRQOR-CABCVRRESA-N 2 0 309.454 0.539 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC12CCOCC2 ZINC001186553956 772054062 /nfs/dbraw/zinc/05/40/62/772054062.db2.gz YUTPAHRRRUBNIN-CVEARBPZSA-N 2 0 319.449 0.416 20 30 DCEDRP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161247033 772190193 /nfs/dbraw/zinc/19/01/93/772190193.db2.gz VCMKXSLJCDIFDO-VYDXJSESSA-N 2 0 316.380 0.761 20 30 DCEDRP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001161879411 772294183 /nfs/dbraw/zinc/29/41/83/772294183.db2.gz LFFIMOVOFACNDR-INIZCTEOSA-N 2 0 319.449 0.726 20 30 DCEDRP C#CCC[NH+]1CCC(CNC(=O)CC[NH+](C)C)(COC)CC1 ZINC001162460621 772376722 /nfs/dbraw/zinc/37/67/22/772376722.db2.gz YYTMYPIRIAWHTJ-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001164596806 772686818 /nfs/dbraw/zinc/68/68/18/772686818.db2.gz SHJPGVRUEXFBNR-CVEARBPZSA-N 2 0 319.449 0.749 20 30 DCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001190909572 772697980 /nfs/dbraw/zinc/69/79/80/772697980.db2.gz DGAXNHXBGYHXCT-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001192190721 772882524 /nfs/dbraw/zinc/88/25/24/772882524.db2.gz RBIDHLRWSNBOJW-JKSUJKDBSA-N 2 0 309.454 0.755 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203791722 772924524 /nfs/dbraw/zinc/92/45/24/772924524.db2.gz KIESFRJZRKPNIP-HOTGVXAUSA-N 2 0 321.465 0.993 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CCOCC)CC2)CC1 ZINC001203888787 772928671 /nfs/dbraw/zinc/92/86/71/772928671.db2.gz PUIPCZMGAYCQJR-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001206138445 773049815 /nfs/dbraw/zinc/04/98/15/773049815.db2.gz NZNTZQOGKOAOOP-CQSZACIVSA-N 2 0 324.469 0.457 20 30 DCEDRP COCC#CC[NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001206274290 773061191 /nfs/dbraw/zinc/06/11/91/773061191.db2.gz HLCOKTFOPBEYAY-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195007038 773305721 /nfs/dbraw/zinc/30/57/21/773305721.db2.gz VIFIEENVVSKMKU-HUUCEWRRSA-N 2 0 309.454 0.988 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001208328530 773434006 /nfs/dbraw/zinc/43/40/06/773434006.db2.gz DYVPXMZZEZZFKX-AWEZNQCLSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210673955 773729066 /nfs/dbraw/zinc/72/90/66/773729066.db2.gz KOVLBPCKAJGCMG-CABCVRRESA-N 2 0 322.453 0.211 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CCOC)C2)CC1 ZINC001211233762 773784419 /nfs/dbraw/zinc/78/44/19/773784419.db2.gz ODFCFAKIVPYCCP-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184381 774047396 /nfs/dbraw/zinc/04/73/96/774047396.db2.gz AYZGLDZWEPVBQC-MYPHYYIGSA-N 2 0 317.433 0.309 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001199827345 774218683 /nfs/dbraw/zinc/21/86/83/774218683.db2.gz VFWBQTMMEXUJAN-HIFRSBDPSA-N 2 0 322.453 0.352 20 30 DCEDRP C[C@@]1(C(=O)Nc2sc3c(c2C#N)CC[NH2+]C3)CC[NH2+]C[C@@H]1O ZINC001218553120 774246182 /nfs/dbraw/zinc/24/61/82/774246182.db2.gz NIUQZNOSLDEKJU-SWLSCSKDSA-N 2 0 320.418 0.564 20 30 DCEDRP C[C@]1(C(=O)Nc2sc3c(c2C#N)CC[NH2+]C3)CC[NH2+]C[C@@H]1O ZINC001218553121 774246270 /nfs/dbraw/zinc/24/62/70/774246270.db2.gz NIUQZNOSLDEKJU-WFASDCNBSA-N 2 0 320.418 0.564 20 30 DCEDRP COc1ccc(C#N)cc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218978856 774340085 /nfs/dbraw/zinc/34/00/85/774340085.db2.gz FQUBQGQPIGAIBK-ZDUSSCGKSA-N 2 0 317.393 0.256 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)CCCO1 ZINC001200626785 774379434 /nfs/dbraw/zinc/37/94/34/774379434.db2.gz BXCYLUDXEAMTRT-HUUCEWRRSA-N 2 0 313.417 0.507 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CCCO1 ZINC001201405073 774502190 /nfs/dbraw/zinc/50/21/90/774502190.db2.gz ZUYVKXQKCXOLOJ-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001201441043 774515149 /nfs/dbraw/zinc/51/51/49/774515149.db2.gz VVBGIUOXBVUVNB-UHFFFAOYSA-N 2 0 319.449 0.845 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201871377 774570228 /nfs/dbraw/zinc/57/02/28/774570228.db2.gz JPUKNLAXWBUFJR-HNNXBMFYSA-N 2 0 305.422 0.313 20 30 DCEDRP N#Cc1ccc(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc1F ZINC001220448977 774812900 /nfs/dbraw/zinc/81/29/00/774812900.db2.gz FAUCLOZOXVRZTB-HNNXBMFYSA-N 2 0 319.384 0.064 20 30 DCEDRP C=CCOC(=O)N1CCC(CNC(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001221298432 775059020 /nfs/dbraw/zinc/05/90/20/775059020.db2.gz OJHRMRCZEDUHSF-CYBMUJFWSA-N 2 0 312.414 0.203 20 30 DCEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)N[C@@H](C2CCC2)C2C[NH2+]C2)c1 ZINC001221411957 775093202 /nfs/dbraw/zinc/09/32/02/775093202.db2.gz ZWLKPUCLILKVMJ-IRXDYDNUSA-N 2 0 312.417 0.932 20 30 DCEDRP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221950214 775233982 /nfs/dbraw/zinc/23/39/82/775233982.db2.gz XTTNGFWOGGPKKZ-HZPDHXFCSA-N 2 0 319.449 0.818 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001225379033 775673102 /nfs/dbraw/zinc/67/31/02/775673102.db2.gz WCDQZFUVQLNZKM-KFWWJZLASA-N 2 0 322.453 0.400 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228365285 776076501 /nfs/dbraw/zinc/07/65/01/776076501.db2.gz AMCIMUFNNGAFST-ZIAGYGMSSA-N 2 0 310.442 0.257 20 30 DCEDRP COCC#CC[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001228983343 776143214 /nfs/dbraw/zinc/14/32/14/776143214.db2.gz JQIQCTRRCDCIGF-UHFFFAOYSA-N 2 0 307.438 0.559 20 30 DCEDRP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC#CCOC)C[C@H]21)[NH+](CC)CC ZINC001114829613 776195262 /nfs/dbraw/zinc/19/52/62/776195262.db2.gz ZFVWYNCGXFUKKY-VVLHAWIVSA-N 2 0 321.465 0.803 20 30 DCEDRP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC#CCOC)C[C@H]21)[NH+](CC)CC ZINC001114829612 776195296 /nfs/dbraw/zinc/19/52/96/776195296.db2.gz ZFVWYNCGXFUKKY-TWMKSMIVSA-N 2 0 321.465 0.803 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001229502943 776196042 /nfs/dbraw/zinc/19/60/42/776196042.db2.gz BTLYCXIEJANYLY-HUUCEWRRSA-N 2 0 322.453 0.095 20 30 DCEDRP COCC#CC[NH+]1CCC(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001229723218 776217426 /nfs/dbraw/zinc/21/74/26/776217426.db2.gz MTAPSFOFYDIDHP-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001230105310 776252258 /nfs/dbraw/zinc/25/22/58/776252258.db2.gz HRWLULMZSVHNDP-CQSZACIVSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001230138172 776256854 /nfs/dbraw/zinc/25/68/54/776256854.db2.gz IUSHULURLBVTJQ-RRFJBIMHSA-N 2 0 322.453 0.257 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001230138244 776258292 /nfs/dbraw/zinc/25/82/92/776258292.db2.gz LLMDODFNXYEHGN-BZUAXINKSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001230613464 776353756 /nfs/dbraw/zinc/35/37/56/776353756.db2.gz ODCGYFCLZZSKIH-QGZVFWFLSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](CC#C)CC3)C2)C1 ZINC001041844973 777537902 /nfs/dbraw/zinc/53/79/02/777537902.db2.gz QMCYHZRJFFRUDH-LJQANCHMSA-N 2 0 313.445 0.889 20 30 DCEDRP C#CC[N@H+]1CC[C@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042291992 777842023 /nfs/dbraw/zinc/84/20/23/777842023.db2.gz JVOYOHYGNQNMQS-RDJZCZTQSA-N 2 0 319.449 0.653 20 30 DCEDRP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](CC(N)=O)C[C@H]3CC2)cc1C#N ZINC001277981647 945079446 /nfs/dbraw/zinc/07/94/46/945079446.db2.gz NINFOAMASHSNFT-GASCZTMLSA-N 2 0 315.421 0.526 20 30 DCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001278130987 945150298 /nfs/dbraw/zinc/15/02/98/945150298.db2.gz YNYCEVMANAWSON-IAGOWNOFSA-N 2 0 315.417 0.199 20 30 DCEDRP C#CCN1C[C@@]2(CC1=O)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001273031351 945208629 /nfs/dbraw/zinc/20/86/29/945208629.db2.gz VUXNLHLMKDCZCX-KRWDZBQOSA-N 2 0 305.422 0.170 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267055779 939325639 /nfs/dbraw/zinc/32/56/39/939325639.db2.gz LWVYMGANAHTYGE-HNNXBMFYSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+][C@H](C)COC)CC1 ZINC001267154684 939361932 /nfs/dbraw/zinc/36/19/32/939361932.db2.gz IDZSGCZYHJAUSG-LSDHHAIUSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267303606 939420427 /nfs/dbraw/zinc/42/04/27/939420427.db2.gz PQPKOGUTIIMQEW-CVEARBPZSA-N 2 0 307.438 0.416 20 30 DCEDRP CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CC#CCOC)C1)[NH+](C)C ZINC001267576838 939522415 /nfs/dbraw/zinc/52/24/15/939522415.db2.gz ZJJZYHHYXIHEJN-CVEARBPZSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267601922 939544744 /nfs/dbraw/zinc/54/47/44/939544744.db2.gz TYXBUEYPJPHZEJ-HZPDHXFCSA-N 2 0 307.438 0.416 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001267709384 939633835 /nfs/dbraw/zinc/63/38/35/939633835.db2.gz WHPZJTVQKXLCBI-MRXNPFEDSA-N 2 0 307.438 0.512 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1=O ZINC001481243112 939664319 /nfs/dbraw/zinc/66/43/19/939664319.db2.gz FMPCGUQTTWTAOF-GJZGRUSLSA-N 2 0 324.469 0.408 20 30 DCEDRP C=C(Cl)C[NH2+]CCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001279821124 939721622 /nfs/dbraw/zinc/72/16/22/939721622.db2.gz UCGBADMMRHTLOJ-UHFFFAOYSA-N 2 0 303.834 0.491 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481522339 939914833 /nfs/dbraw/zinc/91/48/33/939914833.db2.gz FQXPVMRKRWVNCI-KKUMJFAQSA-N 2 0 324.469 0.598 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001268321330 940057600 /nfs/dbraw/zinc/05/76/00/940057600.db2.gz MOSMTUQYQRLZCE-BBRMVZONSA-N 2 0 313.417 0.289 20 30 DCEDRP COCC#CC[NH2+]C[C@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001481950591 940194336 /nfs/dbraw/zinc/19/43/36/940194336.db2.gz JDNRQIVNHJQEPF-KRWDZBQOSA-N 2 0 307.438 0.607 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001482058063 940237552 /nfs/dbraw/zinc/23/75/52/940237552.db2.gz FILKFRRHFHUAIW-ZBFHGGJFSA-N 2 0 324.469 0.455 20 30 DCEDRP C=CCOC[C@@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001246021557 945320575 /nfs/dbraw/zinc/32/05/75/945320575.db2.gz SWLDQTWVYNKEAU-GJZGRUSLSA-N 2 0 313.442 0.260 20 30 DCEDRP C=CCN1C[C@@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001273144239 945324932 /nfs/dbraw/zinc/32/49/32/945324932.db2.gz OLLZGZUOGWDCDR-WBVHZDCISA-N 2 0 307.438 0.818 20 30 DCEDRP C=CCNC(=O)[C@H](C)N1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001269268573 940667761 /nfs/dbraw/zinc/66/77/61/940667761.db2.gz NMVCYERRBSYFGU-LSDHHAIUSA-N 2 0 324.469 0.552 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001270625024 940945104 /nfs/dbraw/zinc/94/51/04/940945104.db2.gz UUAFBQNSFABUAI-QGZVFWFLSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001271679249 941421719 /nfs/dbraw/zinc/42/17/19/941421719.db2.gz WVWDXUIHZXTRRP-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001272034319 941537779 /nfs/dbraw/zinc/53/77/79/941537779.db2.gz NUTICHVGLCNYBF-LSDHHAIUSA-N 2 0 322.453 0.306 20 30 DCEDRP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001482768953 941663051 /nfs/dbraw/zinc/66/30/51/941663051.db2.gz CBNFQAUVCJQPDJ-HOTGVXAUSA-N 2 0 318.421 0.465 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001482785355 941670257 /nfs/dbraw/zinc/67/02/57/941670257.db2.gz SHXVZGOGFMAECH-MRXNPFEDSA-N 2 0 307.438 0.198 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1=O ZINC001127066287 942423884 /nfs/dbraw/zinc/42/38/84/942423884.db2.gz LENQKCYVRAHGMF-HUUCEWRRSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCOCC1 ZINC001484189193 943184533 /nfs/dbraw/zinc/18/45/33/943184533.db2.gz KQNRYSGIYOVEAN-UHFFFAOYSA-N 2 0 321.465 0.997 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001484637955 943491865 /nfs/dbraw/zinc/49/18/65/943491865.db2.gz XOQRRDNPAXMQPQ-UHFFFAOYSA-N 2 0 307.438 0.749 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]CC#CCOC)CC[N@@H+]1C ZINC001484993136 943649299 /nfs/dbraw/zinc/64/92/99/943649299.db2.gz XACUORDSKWVVCV-HRCADAONSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001491025706 943715343 /nfs/dbraw/zinc/71/53/43/943715343.db2.gz NBDCRYSBCZEJGZ-BETUJISGSA-N 2 0 308.426 0.010 20 30 DCEDRP CC[C@H](C(=O)N1CCC([N@H+](C)CC#CCOC)CC1)[NH+](C)C ZINC001485766690 944124719 /nfs/dbraw/zinc/12/47/19/944124719.db2.gz NVQKWFUZAXMMOS-MRXNPFEDSA-N 2 0 309.454 0.899 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001206147005 944189387 /nfs/dbraw/zinc/18/93/87/944189387.db2.gz UQNHNTUSECZHHK-UHFFFAOYSA-N 2 0 310.442 0.069 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485877006 944376427 /nfs/dbraw/zinc/37/64/27/944376427.db2.gz XGOSYLLJLXVZAI-ZFWWWQNUSA-N 2 0 322.453 0.067 20 30 DCEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001485997794 944471769 /nfs/dbraw/zinc/47/17/69/944471769.db2.gz RQYKHODUADNXSK-HZPDHXFCSA-N 2 0 321.465 0.731 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001277260212 944728491 /nfs/dbraw/zinc/72/84/91/944728491.db2.gz YESKSBXTEWZWSK-CQSZACIVSA-N 2 0 322.453 0.401 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCC[NH2+]C[C@H](C)O)CC1 ZINC001277364030 944787093 /nfs/dbraw/zinc/78/70/93/944787093.db2.gz YJWCTHCAHRWVRN-CABCVRRESA-N 2 0 309.454 0.587 20 30 DCEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001317122951 944809100 /nfs/dbraw/zinc/80/91/00/944809100.db2.gz XLPRZGAUOYVJHW-GASCZTMLSA-N 2 0 305.426 0.871 20 30 DCEDRP N#CC1(NC(=O)[C@@]23C[C@@H]2C[N@H+](CC2CC[NH2+]CC2)C3)CCC1 ZINC001277822141 944994485 /nfs/dbraw/zinc/99/44/85/944994485.db2.gz QTEXKNRMXLOYOV-RHSMWYFYSA-N 2 0 302.422 0.870 20 30 DCEDRP C=CCOCc1nn([C@H]2CCNC3(C[NH2+]C3)C2)c2c1C[NH2+]C2 ZINC001246701748 945465186 /nfs/dbraw/zinc/46/51/86/945465186.db2.gz MJMGMLZDSUWACF-LBPRGKRZSA-N 2 0 303.410 0.455 20 30 DCEDRP N#Cc1ccnc(N2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246836609 945502464 /nfs/dbraw/zinc/50/24/64/945502464.db2.gz MMDIHXRTOIXIIY-HNNXBMFYSA-N 2 0 312.421 0.169 20 30 DCEDRP CCOC(=O)[C@H]1C[N@@H+]([C@@H]2CCN[C@H](C#N)C2)CCC12C[NH2+]C2 ZINC001247008241 945539706 /nfs/dbraw/zinc/53/97/06/945539706.db2.gz MUNLIWWMIUKYRN-BFHYXJOUSA-N 2 0 306.410 0.105 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001278565142 945658288 /nfs/dbraw/zinc/65/82/88/945658288.db2.gz MUSCRKZBFNSQJA-HUUCEWRRSA-N 2 0 317.437 0.566 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001278797708 946414782 /nfs/dbraw/zinc/41/47/82/946414782.db2.gz LGZJSWSUPUZTQF-IAGOWNOFSA-N 2 0 321.465 0.826 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001278821302 946442507 /nfs/dbraw/zinc/44/25/07/946442507.db2.gz DBJHYDJAWJIWNP-KRWDZBQOSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([C@@H](C)[NH2+]CCO)C2)CC1 ZINC001279044004 946768483 /nfs/dbraw/zinc/76/84/83/946768483.db2.gz FCXSHIQZUMDQGZ-ZBFHGGJFSA-N 2 0 307.438 0.151 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)CCO1 ZINC001273365699 946865554 /nfs/dbraw/zinc/86/55/54/946865554.db2.gz MDANXHHBZNEGTE-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP C=C(Br)CN[C@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001410790227 946938256 /nfs/dbraw/zinc/93/82/56/946938256.db2.gz QKGIPXAGQXMCQI-NSHDSACASA-N 2 0 322.247 0.302 20 30 DCEDRP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001324353104 947397326 /nfs/dbraw/zinc/39/73/26/947397326.db2.gz ODJAIERNLNOPNH-INIZCTEOSA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001324974546 947594238 /nfs/dbraw/zinc/59/42/38/947594238.db2.gz BCURXKWWMJEZDO-SJLPKXTDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CCOCC1 ZINC001325037536 947620071 /nfs/dbraw/zinc/62/00/71/947620071.db2.gz PFHNCSDZFLDLNL-INIZCTEOSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001325109699 947659254 /nfs/dbraw/zinc/65/92/54/947659254.db2.gz GSDCLDSQPBYXHE-FUHWJXTLSA-N 2 0 321.465 0.683 20 30 DCEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001262566605 947729391 /nfs/dbraw/zinc/72/93/91/947729391.db2.gz UPWBPINEUAVWQF-CQSZACIVSA-N 2 0 307.350 0.489 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC001325511202 947821894 /nfs/dbraw/zinc/82/18/94/947821894.db2.gz ZZGDNUCSDNZJPG-LSDHHAIUSA-N 2 0 319.453 0.928 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)CCCCN2CCOCC2)[C@H]1C ZINC001179714822 947897163 /nfs/dbraw/zinc/89/71/63/947897163.db2.gz NDXRXPUSMMBQQE-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC(=O)N1CCN(C)CC1 ZINC001273835427 948383256 /nfs/dbraw/zinc/38/32/56/948383256.db2.gz HNHYZVCRXRPYEH-HUUCEWRRSA-N 2 0 320.437 0.012 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001327144981 948405947 /nfs/dbraw/zinc/40/59/47/948405947.db2.gz BLYBLJQOZZJQQS-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)C[C@@H]2CCOC2)CC1 ZINC001265073182 949271808 /nfs/dbraw/zinc/27/18/08/949271808.db2.gz SVUYOPRPXARJRD-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001265449228 949698459 /nfs/dbraw/zinc/69/84/59/949698459.db2.gz FIFCHPXZUFYBTD-HNNXBMFYSA-N 2 0 303.410 0.272 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001265544277 949753924 /nfs/dbraw/zinc/75/39/24/949753924.db2.gz GQQJKMFCFOOPRP-KBXIAJHMSA-N 2 0 324.469 0.500 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001265544279 949758049 /nfs/dbraw/zinc/75/80/49/949758049.db2.gz GQQJKMFCFOOPRP-XQLPTFJDSA-N 2 0 324.469 0.500 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265630871 949825288 /nfs/dbraw/zinc/82/52/88/949825288.db2.gz ROUDMCJOTHOWLE-HUUCEWRRSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCNC(=O)C[N@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001265848225 950028679 /nfs/dbraw/zinc/02/86/79/950028679.db2.gz IHQFYIUPEOOLSU-HNNXBMFYSA-N 2 0 322.453 0.069 20 30 DCEDRP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001265975634 950220405 /nfs/dbraw/zinc/22/04/05/950220405.db2.gz DCUPSDZQNDXBTE-OWCLPIDISA-N 2 0 309.454 0.967 20 30 DCEDRP CC#CC[N@@H+]1C[C@H](NC(=O)CCN2CCOCC2)C(C)(C)C1 ZINC001330245270 950225302 /nfs/dbraw/zinc/22/53/02/950225302.db2.gz XXKQLEALQAOXRZ-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C2([S@](C)=O)CC[NH2+]CC2)CC1 ZINC001330592551 950533594 /nfs/dbraw/zinc/53/35/94/950533594.db2.gz FGBSNBUFNOGAGS-NRFANRHFSA-N 2 0 313.467 0.254 20 30 DCEDRP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001490778007 951096149 /nfs/dbraw/zinc/09/61/49/951096149.db2.gz USOUBCPONUOITB-SJORKVTESA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCCOC)C[C@@H]2C)CC1 ZINC001332066076 951461172 /nfs/dbraw/zinc/46/11/72/951461172.db2.gz UUOHPKPGXSHWQO-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001332604726 951719505 /nfs/dbraw/zinc/71/95/05/951719505.db2.gz BXCWWNPXQINIGI-HOTGVXAUSA-N 2 0 309.454 0.539 20 30 DCEDRP C=C[C@](C)(O)C[NH+]1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001274614627 951738620 /nfs/dbraw/zinc/73/86/20/951738620.db2.gz JYNJAAGJNTWJNB-INIZCTEOSA-N 2 0 309.454 0.800 20 30 DCEDRP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001332677761 951759279 /nfs/dbraw/zinc/75/92/79/951759279.db2.gz UJOSBBHYBUTBRA-IAGOWNOFSA-N 2 0 323.481 0.881 20 30 DCEDRP C[NH+](C)CCN1CC[C@@]2(CC[N@H+](Cc3[nH]ccc3C#N)C2)C1=O ZINC001274855671 951860924 /nfs/dbraw/zinc/86/09/24/951860924.db2.gz PTPNWVYFSXWHJT-QGZVFWFLSA-N 2 0 315.421 0.872 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+]CCCOC)C2)CC1 ZINC001275330646 952063851 /nfs/dbraw/zinc/06/38/51/952063851.db2.gz FNHBGAPPWUFJTH-UHFFFAOYSA-N 2 0 321.465 0.853 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001282859986 953701537 /nfs/dbraw/zinc/70/15/37/953701537.db2.gz SDNZCMAKDYXBCG-HHARLNAUSA-N 2 0 319.449 0.270 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001282888383 953721935 /nfs/dbraw/zinc/72/19/35/953721935.db2.gz KMFGEEVYEIIEID-WCXIOVBPSA-N 2 0 321.465 0.516 20 30 DCEDRP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001284493036 955128034 /nfs/dbraw/zinc/12/80/34/955128034.db2.gz PMHOFOSXBYIOAF-HRCADAONSA-N 2 0 309.454 0.491 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001285781725 955973503 /nfs/dbraw/zinc/97/35/03/955973503.db2.gz HXXPSFNVWGREIB-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP CC[NH+]1CCN(CC[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC001353273784 956000681 /nfs/dbraw/zinc/00/06/81/956000681.db2.gz QKEPEXUHCSXEPZ-KRWDZBQOSA-N 2 0 302.422 0.819 20 30 DCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCN(CCC(=O)OC)C[C@H]1C ZINC001353809504 956194988 /nfs/dbraw/zinc/19/49/88/956194988.db2.gz RHKFVWXXTHWGIU-KGLIPLIRSA-N 2 0 311.426 0.766 20 30 DCEDRP C#CC[NH2+]CC(=O)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001357415111 957277634 /nfs/dbraw/zinc/27/76/34/957277634.db2.gz WANHSSWVSDLNMI-WBVHZDCISA-N 2 0 315.417 0.615 20 30 DCEDRP C#CC[NH2+]CC(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001357415096 957279045 /nfs/dbraw/zinc/27/90/45/957279045.db2.gz WANHSSWVSDLNMI-DOTOQJQBSA-N 2 0 315.417 0.615 20 30 DCEDRP C#CC[NH2+]CC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC001357838430 957390413 /nfs/dbraw/zinc/39/04/13/957390413.db2.gz YRGFRTVGPQEILY-INIZCTEOSA-N 2 0 301.390 0.092 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001316846036 960106974 /nfs/dbraw/zinc/10/69/74/960106974.db2.gz VANYPTIBFDMTIC-AWEZNQCLSA-N 2 0 324.469 0.457 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001379204057 962359652 /nfs/dbraw/zinc/35/96/52/962359652.db2.gz BCDNNCUJVLUEAN-RWMBFGLXSA-N 2 0 303.834 0.536 20 30 DCEDRP C=CC[NH2+]CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCOCC1 ZINC001502626325 1016005248 /nfs/dbraw/zinc/00/52/48/1016005248.db2.gz WABHANPCXCWGLV-OAHLLOKOSA-N 2 0 307.438 0.769 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C[C@H](C)OC)C1 ZINC001502670119 1016017662 /nfs/dbraw/zinc/01/76/62/1016017662.db2.gz LTQJTKXEJUSBLO-XHSDSOJGSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCCO)C2)CC1 ZINC001507428608 1016320820 /nfs/dbraw/zinc/32/08/20/1016320820.db2.gz SIPAFRSMXWRVJN-WBVHZDCISA-N 2 0 321.465 0.589 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)C[C@H]2CCOC2)CC1 ZINC001506065428 1016971766 /nfs/dbraw/zinc/97/17/66/1016971766.db2.gz OVFGEXQIFDCDBJ-JKSUJKDBSA-N 2 0 321.465 0.805 20 30 DCEDRP C=C(Cl)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001424422903 1012492752 /nfs/dbraw/zinc/49/27/52/1012492752.db2.gz UFPFRPIZKJNOOJ-DZGCQCFKSA-N 2 0 315.845 0.634 20 30 DCEDRP COC1CC[NH+](C(C)(C)CNC(=O)NCC#CC[NH+](C)C)CC1 ZINC001564079304 1012516843 /nfs/dbraw/zinc/51/68/43/1012516843.db2.gz FXWYREXHQDFJNG-UHFFFAOYSA-N 2 0 324.469 0.740 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC001565496444 1012552640 /nfs/dbraw/zinc/55/26/40/1012552640.db2.gz JAODYQBLLFQLEW-UHFFFAOYSA-N 2 0 324.469 0.694 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001506574295 1017369320 /nfs/dbraw/zinc/36/93/20/1017369320.db2.gz WAMOOBMWRASCFD-OAHLLOKOSA-N 2 0 324.469 0.601 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001506854600 1017617024 /nfs/dbraw/zinc/61/70/24/1017617024.db2.gz LVDPPYILQIQFRI-YESZJQIVSA-N 2 0 321.465 0.805 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC#CCOC)C1 ZINC001506907368 1017657139 /nfs/dbraw/zinc/65/71/39/1017657139.db2.gz RGSYEDBTYDLWCD-ULQDDVLXSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497256394 1017998171 /nfs/dbraw/zinc/99/81/71/1017998171.db2.gz QOWVAPDWHZVCRQ-KKUMJFAQSA-N 2 0 324.469 0.503 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480152389 1018258538 /nfs/dbraw/zinc/25/85/38/1018258538.db2.gz BJPWWQNSCVJHJN-SHTZXODSSA-N 2 0 307.438 0.747 20 30 DCEDRP C#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001500171464 1018269385 /nfs/dbraw/zinc/26/93/85/1018269385.db2.gz VNUYTOUFIFFEMB-INIZCTEOSA-N 2 0 306.454 0.180 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC#CCOC)C1 ZINC001480173402 1018281998 /nfs/dbraw/zinc/28/19/98/1018281998.db2.gz HXQISOZUUJVHQP-JYJNAYRXSA-N 2 0 307.438 0.747 20 30 DCEDRP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001500383903 1018434953 /nfs/dbraw/zinc/43/49/53/1018434953.db2.gz IBNHDJNSNPDSGO-QGZVFWFLSA-N 2 0 317.437 0.520 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480388429 1018485156 /nfs/dbraw/zinc/48/51/56/1018485156.db2.gz XSXQUBHGJSNYOZ-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001500550939 1018490475 /nfs/dbraw/zinc/49/04/75/1018490475.db2.gz SFYUOQZRGKZNEC-SJLPKXTDSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001500550938 1018491720 /nfs/dbraw/zinc/49/17/20/1018491720.db2.gz SFYUOQZRGKZNEC-FUHWJXTLSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001496300379 1019229075 /nfs/dbraw/zinc/22/90/75/1019229075.db2.gz MPNUETPUKZHZSS-MRXNPFEDSA-N 2 0 321.465 0.853 20 30 DCEDRP C[C@H](Cn1cccn1)[NH2+]CC#CC[NH2+][C@H](C)Cn1cccn1 ZINC000276254756 238317438 /nfs/dbraw/zinc/31/74/38/238317438.db2.gz ABEHKOFMZODOAJ-HZPDHXFCSA-N 2 0 300.410 0.739 20 30 DCEDRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)C1 ZINC000592145125 397103600 /nfs/dbraw/zinc/10/36/00/397103600.db2.gz ODSFMTULQDMVQY-CABCVRRESA-N 2 0 307.442 0.246 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(CC)CCC[NH+](C)C)CC1 ZINC000343780409 415725263 /nfs/dbraw/zinc/72/52/63/415725263.db2.gz MCJGIGZDBQEBSB-UHFFFAOYSA-N 2 0 324.469 0.553 20 30 DCEDRP C[N@@H+](CC(=O)NCC#N)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354855171 415827385 /nfs/dbraw/zinc/82/73/85/415827385.db2.gz FQZOBIUBGOJMQY-UHFFFAOYSA-N 2 0 301.394 0.870 20 30 DCEDRP CC[NH+]=C(NCc1c(C)noc1C)NC[C@H]1C[N@H+](C)CCN1C ZINC000261747358 416335699 /nfs/dbraw/zinc/33/56/99/416335699.db2.gz BWOALSQQBKZGBK-AWEZNQCLSA-N 2 0 322.457 0.592 20 30 DCEDRP C#CCNC(NCC1(N2CCCCC2)CC[NH+](C)CC1)=[NH+]C ZINC000262771678 416337055 /nfs/dbraw/zinc/33/70/55/416337055.db2.gz HWBZMYCXTCEWFP-UHFFFAOYSA-N 2 0 305.470 0.735 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000419723952 416406344 /nfs/dbraw/zinc/40/63/44/416406344.db2.gz GKUASCLXWBICNB-DZGCQCFKSA-N 2 0 322.453 0.339 20 30 DCEDRP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1C#N ZINC000592946709 416545397 /nfs/dbraw/zinc/54/53/97/416545397.db2.gz BDVXOSLXGQYANG-GHMZBOCLSA-N 2 0 304.398 0.712 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000490575749 416568664 /nfs/dbraw/zinc/56/86/64/416568664.db2.gz VDUVVGCDTUZXKX-UHFFFAOYSA-N 2 0 307.438 0.560 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000491674411 416614069 /nfs/dbraw/zinc/61/40/69/416614069.db2.gz XGMQNPWIEIYYPC-CVEARBPZSA-N 2 0 322.453 0.479 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000490628237 416571249 /nfs/dbraw/zinc/57/12/49/416571249.db2.gz FVQYEKVSUQZBPD-HNNXBMFYSA-N 2 0 306.454 0.084 20 30 DCEDRP C#CCNC(=O)CC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000491068829 416585044 /nfs/dbraw/zinc/58/50/44/416585044.db2.gz RSFWIUMSZVBIPI-UHFFFAOYSA-N 2 0 320.481 0.616 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000652690977 417944319 /nfs/dbraw/zinc/94/43/19/417944319.db2.gz RJKKGUYLVHWLSC-UHFFFAOYSA-N 2 0 322.453 0.340 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000419725348 276894070 /nfs/dbraw/zinc/89/40/70/276894070.db2.gz IIXPQOONTOCPEI-DZGCQCFKSA-N 2 0 322.453 0.387 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000490764067 339839850 /nfs/dbraw/zinc/83/98/50/339839850.db2.gz ZEQSVQDPJPXQDD-UHFFFAOYSA-N 2 0 320.481 0.474 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](CO)CC[NH+](CC)CC)CC1 ZINC000491126415 339850176 /nfs/dbraw/zinc/85/01/76/339850176.db2.gz OCMXOKAWVRFTLB-MRXNPFEDSA-N 2 0 309.454 0.541 20 30 DCEDRP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001569693721 1161196835 /nfs/dbraw/zinc/19/68/35/1161196835.db2.gz JQHBYLNKLGAOSP-DOTOQJQBSA-N 2 0 307.438 0.416 20 30 DCEDRP C[NH+]=C(NCC[NH+]1CCCC1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000175575672 526355591 /nfs/dbraw/zinc/35/55/91/526355591.db2.gz CVPKGMFIIKYDDN-CQSZACIVSA-N 2 0 304.442 0.881 20 30 DCEDRP C[NH+]=C(NCc1sc(C)nc1C)NC[C@H]1C[NH+]2CCN1CC2 ZINC000261907560 526415217 /nfs/dbraw/zinc/41/52/17/526415217.db2.gz HEKBGYROXBMFQR-ZDUSSCGKSA-N 2 0 322.482 0.425 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](CC)CCC)CC1 ZINC000360172426 526417242 /nfs/dbraw/zinc/41/72/42/526417242.db2.gz SOTXUXSZMOYGCJ-UHFFFAOYSA-N 2 0 324.469 0.601 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)N(CCOC)CC[NH+](C)C)CC1 ZINC000171739993 526424942 /nfs/dbraw/zinc/42/49/42/526424942.db2.gz JDQREORBZKCXHH-UHFFFAOYSA-N 2 0 312.458 0.856 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000377370983 526925839 /nfs/dbraw/zinc/92/58/39/526925839.db2.gz BBAJHBZUWMDSLA-CVEARBPZSA-N 2 0 305.422 0.311 20 30 DCEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@H]1CCN(C(=O)CC)C1 ZINC000261980200 528809433 /nfs/dbraw/zinc/80/94/33/528809433.db2.gz OSKWWNZUOOXIKO-KBPBESRZSA-N 2 0 309.458 0.504 20 30 DCEDRP CCOC(=O)N1CCC(NC(=[NH2+])NCC2=CC[N@H+](C)CC2)CC1 ZINC000271719328 528950883 /nfs/dbraw/zinc/95/08/83/528950883.db2.gz CWBMXSYWRJFDMI-UHFFFAOYSA-N 2 0 323.441 0.774 20 30 DCEDRP C[C@H](CNC(=[NH2+])NCCCN1CCOCC1)C[NH+]1CCCC1 ZINC000104174472 660461199 /nfs/dbraw/zinc/46/11/99/660461199.db2.gz UIPGPHDQNMERCI-OAHLLOKOSA-N 2 0 311.474 0.345 20 30 DCEDRP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000981209007 661101609 /nfs/dbraw/zinc/10/16/09/661101609.db2.gz DLFLWHMJOJXPCO-CVEARBPZSA-N 2 0 307.438 0.960 20 30 DCEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC000981688882 661195493 /nfs/dbraw/zinc/19/54/93/661195493.db2.gz GVVPHNGHDMYRRK-HNNXBMFYSA-N 2 0 305.422 0.265 20 30 DCEDRP CC#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000972673248 658221291 /nfs/dbraw/zinc/22/12/91/658221291.db2.gz GECWVAXKQXSTSQ-RDJZCZTQSA-N 2 0 305.422 0.265 20 30 DCEDRP C=C(C)CN1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC000972295637 658531507 /nfs/dbraw/zinc/53/15/07/658531507.db2.gz WISJNQHWUKRIQN-WBVHZDCISA-N 2 0 307.438 0.960 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025798623 659564880 /nfs/dbraw/zinc/56/48/80/659564880.db2.gz ATDLJUXFLGAFNF-LJIZCISZSA-N 2 0 305.422 0.472 20 30 DCEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)N2CCOCC2)C1 ZINC001019799630 659614764 /nfs/dbraw/zinc/61/47/64/659614764.db2.gz XFWGAGAWERXUGR-JKSUJKDBSA-N 2 0 307.438 0.864 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001020236187 659680346 /nfs/dbraw/zinc/68/03/46/659680346.db2.gz UBNZKAGKZCKXSJ-DZKIICNBSA-N 2 0 305.422 0.500 20 30 DCEDRP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028699333 661766722 /nfs/dbraw/zinc/76/67/22/661766722.db2.gz XTHJCCFCBMQZGP-GJEMEMOUSA-N 2 0 305.422 0.474 20 30 DCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)c2cc(CN3CCCC3)on2)C1 ZINC001028804512 661832675 /nfs/dbraw/zinc/83/26/75/661832675.db2.gz AGRQRWMXLCPDTN-CQSZACIVSA-N 2 0 316.405 0.955 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]([C@@H](C)COC)C2)CC1 ZINC001029002875 661929990 /nfs/dbraw/zinc/92/99/90/661929990.db2.gz CWKIAJWPCGSPMF-JKSUJKDBSA-N 2 0 321.465 0.805 20 30 DCEDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCN(O)C3=O)cc2)CC1 ZINC000895160605 662126349 /nfs/dbraw/zinc/12/63/49/662126349.db2.gz BTSTXBRPLCSJTJ-INIZCTEOSA-N 2 0 318.421 0.908 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000896208936 662252141 /nfs/dbraw/zinc/25/21/41/662252141.db2.gz RSBCCSCHZVOLFZ-MRXNPFEDSA-N 2 0 307.438 0.864 20 30 DCEDRP CCN1CC[NH+](CCCCNC(=[NH2+])NC[C@H]2CCCO2)CC1 ZINC000303268246 662445853 /nfs/dbraw/zinc/44/58/53/662445853.db2.gz YOGFYEPEAOGCCC-OAHLLOKOSA-N 2 0 311.474 0.487 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000900696470 663269688 /nfs/dbraw/zinc/26/96/88/663269688.db2.gz SVFYQJTXTOYQJB-OAHLLOKOSA-N 2 0 310.486 0.884 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000901272581 663334325 /nfs/dbraw/zinc/33/43/25/663334325.db2.gz MSQCQIZPQGCIFN-IAGOWNOFSA-N 2 0 322.497 0.979 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(CCO)C2CC[NH+](C)CC2)CC1 ZINC000911937408 664126725 /nfs/dbraw/zinc/12/67/25/664126725.db2.gz XJCKQUFKXHKLEL-UHFFFAOYSA-N 2 0 307.438 0.247 20 30 DCEDRP C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000925452609 665169451 /nfs/dbraw/zinc/16/94/51/665169451.db2.gz XBVDZMYFBOXYGU-CABCVRRESA-N 2 0 322.453 0.837 20 30 DCEDRP C#CCN(C(=O)N[C@H]1CC[N@@H+](CCOC)C1)C1CC[NH+](C)CC1 ZINC000919633684 665224677 /nfs/dbraw/zinc/22/46/77/665224677.db2.gz CHBIHOLIHXHGRP-HNNXBMFYSA-N 2 0 322.453 0.446 20 30 DCEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001001647178 666082105 /nfs/dbraw/zinc/08/21/05/666082105.db2.gz TZWAXXVZBQOUTI-UPTPFMHGSA-N 2 0 319.449 0.864 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)NCCOCC[NH+](CC)CC)CC1 ZINC000921937253 666185198 /nfs/dbraw/zinc/18/51/98/666185198.db2.gz KRJHUOJZNDVGHR-UHFFFAOYSA-N 2 0 324.469 0.742 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCOC)C[C@@H]2C)CC1 ZINC000945185364 666578412 /nfs/dbraw/zinc/57/84/12/666578412.db2.gz ZXAYZSDQFWSAOG-RDJZCZTQSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCO)C(C)(C)C2)CC1 ZINC000996671838 666856270 /nfs/dbraw/zinc/85/62/70/666856270.db2.gz ODSRDIJSPZZVKZ-HNNXBMFYSA-N 2 0 307.438 0.151 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](C[C@@H](C)O)C2)CC1 ZINC001034537996 667064000 /nfs/dbraw/zinc/06/40/00/667064000.db2.gz GWLBSTHZEOFZTP-WBVHZDCISA-N 2 0 321.465 0.683 20 30 DCEDRP CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001032475645 667298711 /nfs/dbraw/zinc/29/87/11/667298711.db2.gz BOCCHNWPKLLBSH-HOTGVXAUSA-N 2 0 319.449 0.653 20 30 DCEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CC2 ZINC001035713222 667403094 /nfs/dbraw/zinc/40/30/94/667403094.db2.gz OYUADGOAHHMBJN-CVEARBPZSA-N 2 0 317.433 0.407 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001036034827 667421850 /nfs/dbraw/zinc/42/18/50/667421850.db2.gz CNESKRUANQGKLQ-CABCVRRESA-N 2 0 317.437 0.518 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1C ZINC001036079690 667425555 /nfs/dbraw/zinc/42/55/55/667425555.db2.gz WDVQTCFJHHSKOS-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1C ZINC001036211214 667430110 /nfs/dbraw/zinc/43/01/10/667430110.db2.gz JDELJFGIZCKGHL-GOEBONIOSA-N 2 0 317.437 0.518 20 30 DCEDRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884198817 667496609 /nfs/dbraw/zinc/49/66/09/667496609.db2.gz HUHSFUCDWUKQEV-UJEKJILKSA-N 2 0 304.438 0.972 20 30 DCEDRP CN(CC1CC[NH+](C)CC1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884377459 667534004 /nfs/dbraw/zinc/53/40/04/667534004.db2.gz LIBQOWRCPBOUMV-CKDBGZEDSA-N 2 0 304.438 0.926 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000771655435 668747258 /nfs/dbraw/zinc/74/72/58/668747258.db2.gz YMACOQBUODIIPZ-INIZCTEOSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CC[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000775400229 668861908 /nfs/dbraw/zinc/86/19/08/668861908.db2.gz XRCYHLRBDLJNQD-ZWKOTPCHSA-N 2 0 301.434 0.949 20 30 DCEDRP C=CCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000949380579 670328126 /nfs/dbraw/zinc/32/81/26/670328126.db2.gz JFEWEPSKCGLWGA-CKDBGZEDSA-N 2 0 305.422 0.570 20 30 DCEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000819032826 671087135 /nfs/dbraw/zinc/08/71/35/671087135.db2.gz JLNSWUDNUNCDIB-WMLDXEAASA-N 2 0 302.422 0.817 20 30 DCEDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000852791076 671160510 /nfs/dbraw/zinc/16/05/10/671160510.db2.gz CKCSVNRYMXXISW-QGZVFWFLSA-N 2 0 314.433 0.872 20 30 DCEDRP C#CC[NH+](C)CCCNC(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000827114347 671515275 /nfs/dbraw/zinc/51/52/75/671515275.db2.gz JPUXOOGZUIXZFS-IYBDPMFKSA-N 2 0 324.469 0.692 20 30 DCEDRP C[NH+](C)CCOc1cccc(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000841051417 671910525 /nfs/dbraw/zinc/91/05/25/671910525.db2.gz PDGDNBZMTOPKPR-WFASDCNBSA-N 2 0 317.393 0.860 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOC[C@H]1CCCO1 ZINC000303769878 685206118 /nfs/dbraw/zinc/20/61/18/685206118.db2.gz BHLKPNFACCEYFW-LSDHHAIUSA-N 2 0 312.458 0.961 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)NC1CCCCC1 ZINC000303986933 685209105 /nfs/dbraw/zinc/20/91/05/685209105.db2.gz UZENTTKOEQSTMJ-AWEZNQCLSA-N 2 0 309.458 0.824 20 30 DCEDRP C[C@H]1CCCN(C(=[NH2+])NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000303979173 685209566 /nfs/dbraw/zinc/20/95/66/685209566.db2.gz MUEYEPMZAXIRLA-GJZGRUSLSA-N 2 0 323.485 0.976 20 30 DCEDRP C=CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958176443 687407773 /nfs/dbraw/zinc/40/77/73/687407773.db2.gz SYZJUAXLZBEQDW-HOTGVXAUSA-N 2 0 321.465 0.847 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2[C@H](C)COC)CC1 ZINC001039042256 694283791 /nfs/dbraw/zinc/28/37/91/694283791.db2.gz OKAAQDPVPFOPSZ-ZBFHGGJFSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCCO ZINC000968894032 690416328 /nfs/dbraw/zinc/41/63/28/690416328.db2.gz YLGYORVBDQPQEE-IRXDYDNUSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015324180 692264534 /nfs/dbraw/zinc/26/45/34/692264534.db2.gz MQDVYNYCWACMQN-GWUWNPHMSA-N 2 0 303.406 0.063 20 30 DCEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020179177 693724450 /nfs/dbraw/zinc/72/44/50/693724450.db2.gz RAIVTHTYOWBEEX-XDQVBPFNSA-N 2 0 313.829 0.839 20 30 DCEDRP C#CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CCO1 ZINC001571001485 1162665656 /nfs/dbraw/zinc/66/56/56/1162665656.db2.gz JSBXKVLOCFTUPZ-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001571117620 1162674956 /nfs/dbraw/zinc/67/49/56/1162674956.db2.gz GNWVQWKWHCYNKT-ULQDDVLXSA-N 2 0 321.465 0.993 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C[NH2+]CCOC)C2CC2)CC1 ZINC001571373615 1162722305 /nfs/dbraw/zinc/72/23/05/1162722305.db2.gz KVPLWDRETXYEPI-KRWDZBQOSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001571563396 1162812513 /nfs/dbraw/zinc/81/25/13/1162812513.db2.gz IZJREORHNHCTOI-UONOGXRCSA-N 2 0 324.469 0.455 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001672004039 1157406049 /nfs/dbraw/zinc/40/60/49/1157406049.db2.gz RLHFBZKMDNYWOH-NVXWUHKLSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]C[C@@H](C)O)C(C)(C)C)CC1 ZINC001571637650 1162870020 /nfs/dbraw/zinc/87/00/20/1162870020.db2.gz AJQPAFKCQXRLCC-ZBFHGGJFSA-N 2 0 323.481 0.833 20 30 DCEDRP CC#CC[N@H+](CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001266619399 1157487810 /nfs/dbraw/zinc/48/78/10/1157487810.db2.gz LJOWGLNKKLQENB-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001754616003 1157807973 /nfs/dbraw/zinc/80/79/73/1157807973.db2.gz LJSCEZRBFSWWAR-KGLIPLIRSA-N 2 0 310.442 0.209 20 30 DCEDRP CC#CC[NH2+][C@H](CNC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001752492226 1158014336 /nfs/dbraw/zinc/01/43/36/1158014336.db2.gz YJKCJNANVSMZQW-MRXNPFEDSA-N 2 0 307.438 0.605 20 30 DCEDRP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC#CCOC)[C@@H]1CC)[NH+](C)C ZINC001566025059 1159943994 /nfs/dbraw/zinc/94/39/94/1159943994.db2.gz DCKGLNIJKIJWRN-ARFHVFGLSA-N 2 0 309.454 0.946 20 30 DCEDRP CC#CCN1CCN(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001566653703 1160114492 /nfs/dbraw/zinc/11/44/92/1160114492.db2.gz WIYONBYFVDEQJY-UHFFFAOYSA-N 2 0 308.470 0.475 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001567140571 1160254217 /nfs/dbraw/zinc/25/42/17/1160254217.db2.gz OBCJKSTVDXYGFT-KBPBESRZSA-N 2 0 310.442 0.067 20 30 DCEDRP C=CCOCC[NH+]1CC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001567409418 1160354289 /nfs/dbraw/zinc/35/42/89/1160354289.db2.gz HIGOMNWISPUGQB-JKSUJKDBSA-N 2 0 309.454 0.969 20 30 DCEDRP CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC#CCOC)C1)[NH+](C)C ZINC001567739525 1160469147 /nfs/dbraw/zinc/46/91/47/1160469147.db2.gz ZZSBPMYTNOATEE-HOTGVXAUSA-N 2 0 309.454 0.757 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001569567564 1161150594 /nfs/dbraw/zinc/15/05/94/1161150594.db2.gz YVFSMZUJJHVSDA-HUUCEWRRSA-N 2 0 322.453 0.045 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCOCC1 ZINC001569729713 1161209854 /nfs/dbraw/zinc/20/98/54/1161209854.db2.gz DBCYRTYHIXQCOH-JKSUJKDBSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)Nc1nccc([C@H]2CC[NH2+]C2)n1 ZINC001574604326 1163734990 /nfs/dbraw/zinc/73/49/90/1163734990.db2.gz LWFMETKSPJUESU-ZDUSSCGKSA-N 2 0 316.409 0.630 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC001574674106 1163739691 /nfs/dbraw/zinc/73/96/91/1163739691.db2.gz VHJHAGAFPYWFKR-CHWSQXEVSA-N 2 0 317.355 0.927 20 30 DCEDRP N#Cc1ccc(N2CC[C@H](N3CCC(O)(C[NH3+])CC3)C2=O)cc1 ZINC001580067511 1165490867 /nfs/dbraw/zinc/49/08/67/1165490867.db2.gz VTKHRJSZUGQWHE-HNNXBMFYSA-N 2 0 314.389 0.449 20 30 DCEDRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001647556488 1172969961 /nfs/dbraw/zinc/96/99/61/1172969961.db2.gz FQZRQTNMWAPUSD-CYBMUJFWSA-N 2 0 324.375 0.534 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+][C@H](C)COC)C2)CC1 ZINC001656240646 1173854792 /nfs/dbraw/zinc/85/47/92/1173854792.db2.gz AGBCHPGTZKTQDG-BFYDXBDKSA-N 2 0 321.465 0.851 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)CCO1 ZINC001673278515 1173921910 /nfs/dbraw/zinc/92/19/10/1173921910.db2.gz KCFWCTVCEIJYDO-GJZGRUSLSA-N 2 0 313.417 0.507 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001660924943 1174069911 /nfs/dbraw/zinc/06/99/11/1174069911.db2.gz AJGBVOZLWVSEIP-DLBZAZTESA-N 2 0 320.481 0.474 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001661482358 1174129982 /nfs/dbraw/zinc/12/99/82/1174129982.db2.gz JRXBHTNIAUUZGN-QAETUUGQSA-N 2 0 319.449 0.890 20 30 DCEDRP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001661895397 1174168815 /nfs/dbraw/zinc/16/88/15/1174168815.db2.gz DZMWDXAOUMQZRN-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 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KKKNGSBJHRAPQA-ZIAGYGMSSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CC[NH+](CC#C)CC1 ZINC001671492387 1175016443 /nfs/dbraw/zinc/01/64/43/1175016443.db2.gz YBDKYTUALKYEIL-INIZCTEOSA-N 2 0 301.434 0.888 20 30 DCEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CCCC1 ZINC001671564816 1175018600 /nfs/dbraw/zinc/01/86/00/1175018600.db2.gz YGJCTGCXHIVLMG-DOTOQJQBSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(CCO)CC[NH2+]CC(C)C)CC1 ZINC001672712480 1175146363 /nfs/dbraw/zinc/14/63/63/1175146363.db2.gz IEVKMVPKLVYNTC-UHFFFAOYSA-N 2 0 309.454 0.398 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001673323244 1175190510 /nfs/dbraw/zinc/19/05/10/1175190510.db2.gz UOKLLDSUHZENDZ-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001673898867 1175239924 /nfs/dbraw/zinc/23/99/24/1175239924.db2.gz XWOAMUUOPKHDET-CABCVRRESA-N 2 0 307.438 0.415 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001674771904 1175298524 /nfs/dbraw/zinc/29/85/24/1175298524.db2.gz CLOWMXCENTWWOA-CABCVRRESA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCOCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001674925892 1175309615 /nfs/dbraw/zinc/30/96/15/1175309615.db2.gz REKGTSQHZJUBOA-GOEBONIOSA-N 2 0 309.454 0.967 20 30 DCEDRP C=CCCN1CC(CCO)(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001675115413 1175330840 /nfs/dbraw/zinc/33/08/40/1175330840.db2.gz PRZDLXCYLDWTDD-GASCZTMLSA-N 2 0 309.454 0.988 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001675543878 1175371147 /nfs/dbraw/zinc/37/11/47/1175371147.db2.gz DKYOWGLRUKBVPP-LUKYLMHMSA-N 2 0 319.449 0.272 20 30 DCEDRP C#CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001675614486 1175380244 /nfs/dbraw/zinc/38/02/44/1175380244.db2.gz PAFDVMCKJCOAPH-DLBZAZTESA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001676264171 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RDUDKPVJZJCFRM-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001690822666 1177333936 /nfs/dbraw/zinc/33/39/36/1177333936.db2.gz KOHYRIKQCUYJJG-SJORKVTESA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001698714881 1177614521 /nfs/dbraw/zinc/61/45/21/1177614521.db2.gz PETOYGKJZCILEO-JYJNAYRXSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+][C@@H](C)COC)CC1 ZINC001699554487 1178197880 /nfs/dbraw/zinc/19/78/80/1178197880.db2.gz RRPVLXUHJFKZTI-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001699650747 1178239784 /nfs/dbraw/zinc/23/97/84/1178239784.db2.gz FCRMAPZQMHQRKE-BFHYXJOUSA-N 2 0 322.453 0.256 20 30 DCEDRP CC#CC[NH2+]C1CCN(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001699995149 1178414168 /nfs/dbraw/zinc/41/41/68/1178414168.db2.gz KTJVVNILTDGBFE-MRXNPFEDSA-N 2 0 320.481 0.522 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001700279319 1178564614 /nfs/dbraw/zinc/56/46/14/1178564614.db2.gz UYHUOZYYVXOACQ-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+]C1(C)CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001700285641 1178566857 /nfs/dbraw/zinc/56/68/57/1178566857.db2.gz YYWQSXMBVOXGAL-UHFFFAOYSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC(O)(C[NH2+]CCC)CC2)CC1 ZINC001700308903 1178575168 /nfs/dbraw/zinc/57/51/68/1178575168.db2.gz ZTUHHEQMLPDFRS-UHFFFAOYSA-N 2 0 321.465 0.685 20 30 DCEDRP C=CCOCC[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001700546232 1178653633 /nfs/dbraw/zinc/65/36/33/1178653633.db2.gz OSWVQCFONVQJQG-CABCVRRESA-N 2 0 309.454 0.967 20 30 DCEDRP C#CC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001700577447 1178665811 /nfs/dbraw/zinc/66/58/11/1178665811.db2.gz YASHNOMOLJJBLX-OAHLLOKOSA-N 2 0 307.438 0.557 20 30 DCEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001700602255 1178674918 /nfs/dbraw/zinc/67/49/18/1178674918.db2.gz DCCCHZLMTCRPJC-GJZGRUSLSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001701037834 1178892592 /nfs/dbraw/zinc/89/25/92/1178892592.db2.gz NTOLJLSXIZXKLN-CQSZACIVSA-N 2 0 304.394 0.143 20 30 DCEDRP C#CCC[NH2+]CCOCCN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001701038953 1178896537 /nfs/dbraw/zinc/89/65/37/1178896537.db2.gz BVZFWJMNKYFTJD-KRWDZBQOSA-N 2 0 307.438 0.560 20 30 DCEDRP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001707119509 1180419236 /nfs/dbraw/zinc/41/92/36/1180419236.db2.gz RTCADDTWBREFPN-JKSUJKDBSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)COC)C2)CC1 ZINC001713175450 1180708020 /nfs/dbraw/zinc/70/80/20/1180708020.db2.gz CSYSIZZBGZCQIN-BPUTZDHNSA-N 2 0 307.438 0.603 20 30 DCEDRP C=CCNC(=O)CN1CCC[C@@H](NC(=O)Cn2ccnc2C)C1 ZINC001713793547 1181067917 /nfs/dbraw/zinc/06/79/17/1181067917.db2.gz NELAAQIVXLYNJZ-CQSZACIVSA-N 2 0 319.409 0.074 20 30 DCEDRP C#CC[N@H+]1CCC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001714043854 1181221858 /nfs/dbraw/zinc/22/18/58/1181221858.db2.gz CPZMRQSDBKJGPT-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001714194714 1181277164 /nfs/dbraw/zinc/27/71/64/1181277164.db2.gz MPXNGHJGOCLNGM-WLYUNCDWSA-N 2 0 324.469 0.646 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C(C)C)C1=O ZINC001714884379 1181585855 /nfs/dbraw/zinc/58/58/55/1181585855.db2.gz YTJCUACTYVWFTF-LSDHHAIUSA-N 2 0 324.469 0.550 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCCC1CC[NH+](C[C@@H](C)O)CC1 ZINC001715201576 1181714874 /nfs/dbraw/zinc/71/48/74/1181714874.db2.gz HIJUOZQPOHIDCZ-WBVHZDCISA-N 2 0 321.465 0.683 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC#CCOC ZINC001715645919 1181921390 /nfs/dbraw/zinc/92/13/90/1181921390.db2.gz JZECQXPTPMTVNV-HZPDHXFCSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2ocnc2C)CC1 ZINC001715963066 1182121729 /nfs/dbraw/zinc/12/17/29/1182121729.db2.gz UXEPCWJZYARMQJ-CYBMUJFWSA-N 2 0 318.421 0.923 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716217917 1182260916 /nfs/dbraw/zinc/26/09/16/1182260916.db2.gz MEXSIAJXADIZNO-RRFJBIMHSA-N 2 0 324.469 0.455 20 30 DCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001717254750 1182752265 /nfs/dbraw/zinc/75/22/65/1182752265.db2.gz LIHYLLBCWYKPHF-INIZCTEOSA-N 2 0 307.438 0.744 20 30 DCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001717319249 1182778594 /nfs/dbraw/zinc/77/85/94/1182778594.db2.gz ZVXNFELWKIJEJV-HNNXBMFYSA-N 2 0 307.438 0.457 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001717318929 1182778700 /nfs/dbraw/zinc/77/87/00/1182778700.db2.gz OTINLTHLYAQSHY-JKSUJKDBSA-N 2 0 321.465 0.683 20 30 DCEDRP CC#CC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001717350552 1182796055 /nfs/dbraw/zinc/79/60/55/1182796055.db2.gz HSVSCKGROHZHJA-MRXNPFEDSA-N 2 0 319.449 0.295 20 30 DCEDRP C#CC[N@@H+]1CC[C@]2(NC(=O)COC3CC[NH+](C)CC3)CCC[C@H]12 ZINC001717839916 1183025525 /nfs/dbraw/zinc/02/55/25/1183025525.db2.gz DRFLFEITYDCCHY-FUHWJXTLSA-N 2 0 319.449 0.844 20 30 DCEDRP C#CC[N@@H+]1CC[C@@]2(NC(=O)COC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001717839915 1183025896 /nfs/dbraw/zinc/02/58/96/1183025896.db2.gz DRFLFEITYDCCHY-AEFFLSMTSA-N 2 0 319.449 0.844 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001723311659 1184285112 /nfs/dbraw/zinc/28/51/12/1184285112.db2.gz NBHGWOAJFUSYOY-MRXNPFEDSA-N 2 0 319.449 0.749 20 30 DCEDRP C=CCCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001724400794 1184429518 /nfs/dbraw/zinc/42/95/18/1184429518.db2.gz FHILFPRCHYGBFK-NVXWUHKLSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CC[NH2+]C1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001724629800 1184480926 /nfs/dbraw/zinc/48/09/26/1184480926.db2.gz KEKYTFHVTRSJQJ-GDBMZVCRSA-N 2 0 308.470 0.683 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CCO1 ZINC001724827068 1184579151 /nfs/dbraw/zinc/57/91/51/1184579151.db2.gz PVGCVTSGYCASBQ-QGZVFWFLSA-N 2 0 315.417 0.812 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCOCC1 ZINC001724918261 1184620577 /nfs/dbraw/zinc/62/05/77/1184620577.db2.gz FOLXANRANNEUNO-HOTGVXAUSA-N 2 0 319.449 0.892 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)[C@@]23CC[N@H+](C2)CCC3)CCOCC1 ZINC001724921390 1184622093 /nfs/dbraw/zinc/62/20/93/1184622093.db2.gz BVJDUTPLABKELT-INIZCTEOSA-N 2 0 305.422 0.361 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001725051175 1184669456 /nfs/dbraw/zinc/66/94/56/1184669456.db2.gz CGSIPGZMLYAKMC-MRXNPFEDSA-N 2 0 319.449 0.655 20 30 DCEDRP C=CCC[C@H](C)[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001725206969 1184724263 /nfs/dbraw/zinc/72/42/63/1184724263.db2.gz GAMQMWHOBABPJW-LSDHHAIUSA-N 2 0 309.454 0.846 20 30 DCEDRP C=CCOCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001725246242 1184735400 /nfs/dbraw/zinc/73/54/00/1184735400.db2.gz GQMVSUBRRSNPDH-WMLDXEAASA-N 2 0 321.465 0.967 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](CCOCC)C2)CC1 ZINC001725263898 1184744668 /nfs/dbraw/zinc/74/46/68/1184744668.db2.gz FMAKTBYJKCDVBC-HNNXBMFYSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001725518859 1184855039 /nfs/dbraw/zinc/85/50/39/1184855039.db2.gz VCLAKNQTKIDREZ-KGLIPLIRSA-N 2 0 310.442 0.067 20 30 DCEDRP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001725715354 1184965199 /nfs/dbraw/zinc/96/51/99/1184965199.db2.gz FPFQIQDIKQRNHS-CVEARBPZSA-N 2 0 309.454 0.635 20 30 DCEDRP COCC#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001725778330 1184990145 /nfs/dbraw/zinc/99/01/45/1184990145.db2.gz XZKINMBXIUKNIG-OFLPRAFFSA-N 2 0 319.449 0.557 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001731367103 1185300036 /nfs/dbraw/zinc/30/00/36/1185300036.db2.gz CBGFDXCGAHGVJS-IRXDYDNUSA-N 2 0 320.481 0.474 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001731702084 1185449708 /nfs/dbraw/zinc/44/97/08/1185449708.db2.gz KFAZQUMGPQXIBB-LSDHHAIUSA-N 2 0 322.453 0.093 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001731859700 1185534250 /nfs/dbraw/zinc/53/42/50/1185534250.db2.gz YGUUXLKSRTVUEJ-HZPDHXFCSA-N 2 0 307.438 0.416 20 30 DCEDRP COCC#CCN1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001732128342 1185687416 /nfs/dbraw/zinc/68/74/16/1185687416.db2.gz FFNZYESGCGFPMG-SJORKVTESA-N 2 0 319.449 0.701 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001732630990 1185880517 /nfs/dbraw/zinc/88/05/17/1185880517.db2.gz RTTNLLYIGXAZBQ-LSDHHAIUSA-N 2 0 322.453 0.259 20 30 DCEDRP C#CCN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](CCOC)CC1 ZINC001733372434 1186244376 /nfs/dbraw/zinc/24/43/76/1186244376.db2.gz MWXSDORMYLCUSW-UHFFFAOYSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCOCC1 ZINC001733467289 1186278755 /nfs/dbraw/zinc/27/87/55/1186278755.db2.gz QOIJAZLSHVYWMK-INIZCTEOSA-N 2 0 319.449 0.607 20 30 DCEDRP C#CC[NH+]1CC[C@](O)(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001733485693 1186293775 /nfs/dbraw/zinc/29/37/75/1186293775.db2.gz UTQWMWFAYYGGDE-SFHVURJKSA-N 2 0 321.465 0.826 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001733533227 1186324471 /nfs/dbraw/zinc/32/44/71/1186324471.db2.gz IQNLHTWYTJWTHP-HZPDHXFCSA-N 2 0 319.449 0.559 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001733554425 1186331066 /nfs/dbraw/zinc/33/10/66/1186331066.db2.gz WMSJUYKMJVZOLA-CVEARBPZSA-N 2 0 321.465 0.662 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CCOCC1 ZINC001733832375 1186466758 /nfs/dbraw/zinc/46/67/58/1186466758.db2.gz STABITRSXYQDSK-INIZCTEOSA-N 2 0 321.465 0.997 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001733900073 1186492633 /nfs/dbraw/zinc/49/26/33/1186492633.db2.gz JPVWBNDQCGISAD-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[N@H+](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001734271487 1186599954 /nfs/dbraw/zinc/59/99/54/1186599954.db2.gz GBONWPVRNYEQHB-UHFFFAOYSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C[NH2+]CCCO)C2CC2)CC1 ZINC001734308079 1186610997 /nfs/dbraw/zinc/61/09/97/1186610997.db2.gz FQGKLQSWRUWHST-KRWDZBQOSA-N 2 0 321.465 0.541 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001734329079 1186615241 /nfs/dbraw/zinc/61/52/41/1186615241.db2.gz VENGJNAHGOXXSG-CYBMUJFWSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)[C@H]1C ZINC001734411329 1186645874 /nfs/dbraw/zinc/64/58/74/1186645874.db2.gz YXFIZBHUMKOBMS-DOTOQJQBSA-N 2 0 301.434 0.934 20 30 DCEDRP COCC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001734424743 1186650042 /nfs/dbraw/zinc/65/00/42/1186650042.db2.gz GFJHPLRYSDPRHT-HUUCEWRRSA-N 2 0 305.422 0.311 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCCN(CC)Cc1ccnn1C ZINC001753083648 1188493165 /nfs/dbraw/zinc/49/31/65/1188493165.db2.gz MJMTXLGLUFNTAU-INIZCTEOSA-N 2 0 317.437 0.456 20 30 DCEDRP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001753358792 1188572740 /nfs/dbraw/zinc/57/27/40/1188572740.db2.gz BKAHPTJBROIXQP-DLBZAZTESA-N 2 0 321.465 0.758 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001753515374 1188613320 /nfs/dbraw/zinc/61/33/20/1188613320.db2.gz YYDIWEDSJDKSGQ-WMLDXEAASA-N 2 0 322.453 0.257 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001753766911 1188653016 /nfs/dbraw/zinc/65/30/16/1188653016.db2.gz LLJLAAGPNAJXKO-JKSUJKDBSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CCO1 ZINC001755013004 1188996340 /nfs/dbraw/zinc/99/63/40/1188996340.db2.gz OPDVZTKTJWHRNG-KRWDZBQOSA-N 2 0 315.417 0.812 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001755083098 1189016423 /nfs/dbraw/zinc/01/64/23/1189016423.db2.gz JNHXZQBNRZOUIV-MRXNPFEDSA-N 2 0 307.438 0.437 20 30 DCEDRP C=C(C)C[NH2+]CC1(O)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001755154600 1189038072 /nfs/dbraw/zinc/03/80/72/1189038072.db2.gz BRDAQWRANZGAKZ-HNNXBMFYSA-N 2 0 309.454 0.847 20 30 DCEDRP CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001755637305 1189169835 /nfs/dbraw/zinc/16/98/35/1189169835.db2.gz XEYRVRGTFQBZJA-RDJZCZTQSA-N 2 0 321.465 0.874 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001755679945 1189182594 /nfs/dbraw/zinc/18/25/94/1189182594.db2.gz AZXILEAJITVQCS-KBPBESRZSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001755800371 1189220301 /nfs/dbraw/zinc/22/03/01/1189220301.db2.gz HLBJZKWETYALFZ-HZPDHXFCSA-N 2 0 307.438 0.103 20 30 DCEDRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001124836239 751720367 /nfs/dbraw/zinc/72/03/67/751720367.db2.gz DRKXPXLYHROGTC-INIZCTEOSA-N 2 0 303.381 0.977 20 30 DCEDRP CN1CCO[C@H](C(=O)NCC[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001125220532 751842637 /nfs/dbraw/zinc/84/26/37/751842637.db2.gz ISWCUXBPHDHHBI-HNNXBMFYSA-N 2 0 320.368 0.234 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001098532910 747020203 /nfs/dbraw/zinc/02/02/03/747020203.db2.gz KACXHTXHUHFELL-INIZCTEOSA-N 2 0 321.465 0.637 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001167610230 747427939 /nfs/dbraw/zinc/42/79/39/747427939.db2.gz REEQIZCTXFBEBY-HNNXBMFYSA-N 2 0 322.453 0.096 20 30 DCEDRP CC#CC[NH2+]C1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001100798199 747991369 /nfs/dbraw/zinc/99/13/69/747991369.db2.gz UVHUDOHIYIKXAU-UHFFFAOYSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+](C)CCC)C2)nn1 ZINC001105365510 748528548 /nfs/dbraw/zinc/52/85/48/748528548.db2.gz XUNKCDUTGHDBAI-UHFFFAOYSA-N 2 0 320.441 0.669 20 30 DCEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665245 749013754 /nfs/dbraw/zinc/01/37/54/749013754.db2.gz FKYINCPQNLNTOD-HNCZQISISA-N 2 0 317.433 0.452 20 30 DCEDRP C#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC#C)CC2)[C@H]1CC ZINC001087840384 749078102 /nfs/dbraw/zinc/07/81/02/749078102.db2.gz VRCOCOMFRIEYQL-DLBZAZTESA-N 2 0 301.434 0.934 20 30 DCEDRP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(CC)CCO3)C[C@@H]2C1 ZINC001088208320 749289577 /nfs/dbraw/zinc/28/95/77/749289577.db2.gz UZHQHMYWTDXBKO-IXDOHACOSA-N 2 0 319.449 0.511 20 30 DCEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@@H](O)C1 ZINC001083719394 751031524 /nfs/dbraw/zinc/03/15/24/751031524.db2.gz BUCXWJJIQULMFA-XHSDSOJGSA-N 2 0 309.454 0.846 20 30 DCEDRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC#CCOC)C12CCC2 ZINC001203522686 751289618 /nfs/dbraw/zinc/28/96/18/751289618.db2.gz NXSMTQXRPWUFII-HZPDHXFCSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001077979992 752940695 /nfs/dbraw/zinc/94/06/95/752940695.db2.gz JAKHOQLYVAEOEI-BZUAXINKSA-N 2 0 309.454 0.988 20 30 DCEDRP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC001046041258 753443960 /nfs/dbraw/zinc/44/39/60/753443960.db2.gz PKHQEWQIRSPLAX-IAGOWNOFSA-N 2 0 318.465 0.322 20 30 DCEDRP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC001046064133 753457049 /nfs/dbraw/zinc/45/70/49/753457049.db2.gz GFDQAQDAEVALKR-DLBZAZTESA-N 2 0 320.481 0.875 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001128782780 754282619 /nfs/dbraw/zinc/28/26/19/754282619.db2.gz BRGOJRJFNAYGAL-UONOGXRCSA-N 2 0 310.442 0.257 20 30 DCEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001047553706 754387386 /nfs/dbraw/zinc/38/73/86/754387386.db2.gz SPWWXQIICWKRJZ-IKGGRYGDSA-N 2 0 321.465 0.778 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCCO)C2)CC1 ZINC001072095600 762351637 /nfs/dbraw/zinc/35/16/37/762351637.db2.gz LGPHEGWCHZHLCU-NVXWUHKLSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@H]2C1 ZINC001048959761 755041081 /nfs/dbraw/zinc/04/10/81/755041081.db2.gz MUUYBJLSKHCTEM-IXDOHACOSA-N 2 0 301.434 0.884 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CC#CC)C[C@@H]3C2)CC1 ZINC001049235773 755197304 /nfs/dbraw/zinc/19/73/04/755197304.db2.gz VFPZGTFWYUPXHA-HDICACEKSA-N 2 0 313.445 0.745 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCO)CC1 ZINC001096605312 755457443 /nfs/dbraw/zinc/45/74/43/755457443.db2.gz ITKRSMYFZJLQKG-PMPSAXMXSA-N 2 0 305.422 0.045 20 30 DCEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717704 755977710 /nfs/dbraw/zinc/97/77/10/755977710.db2.gz WYPWKXCBSXFMFK-UKRRQHHQSA-N 2 0 305.426 0.681 20 30 DCEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090393955 757391021 /nfs/dbraw/zinc/39/10/21/757391021.db2.gz RXUOVUFXLIQTNU-HUUCEWRRSA-N 2 0 305.422 0.190 20 30 DCEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@@H](O)C1 ZINC001084091940 757670294 /nfs/dbraw/zinc/67/02/94/757670294.db2.gz XVUGTAASPNWPGR-PMPSAXMXSA-N 2 0 309.454 0.988 20 30 DCEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)C[C@@H]21 ZINC001084911426 758119676 /nfs/dbraw/zinc/11/96/76/758119676.db2.gz AXIBTNKXOSLPIN-PMPSAXMXSA-N 2 0 307.438 0.816 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H](C)O)CC1 ZINC001085432517 758873076 /nfs/dbraw/zinc/87/30/76/758873076.db2.gz BPCHVDDSXRFQFY-USXIJHARSA-N 2 0 321.465 0.729 20 30 DCEDRP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001051995964 759098304 /nfs/dbraw/zinc/09/83/04/759098304.db2.gz HRBIEZHPFDZPTQ-SJORKVTESA-N 2 0 318.465 0.322 20 30 DCEDRP C=CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001051995371 759098570 /nfs/dbraw/zinc/09/85/70/759098570.db2.gz CJYMNXWJADLLBX-DLBZAZTESA-N 2 0 320.481 0.875 20 30 DCEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001098392220 759230399 /nfs/dbraw/zinc/23/03/99/759230399.db2.gz MZAGGTZCKFBBBV-UHFFFAOYSA-N 2 0 307.438 0.389 20 30 DCEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074274 760124497 /nfs/dbraw/zinc/12/44/97/760124497.db2.gz KUCMSFXJBIXGFW-LSDHHAIUSA-N 2 0 313.442 0.082 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)CC[N@@H+](C)CCC)C1=O ZINC001148573176 768019631 /nfs/dbraw/zinc/01/96/31/768019631.db2.gz QAPCNJIRCKXKCV-CQSZACIVSA-N 2 0 310.442 0.211 20 30 DCEDRP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@H](C)O2 ZINC001071228431 761725760 /nfs/dbraw/zinc/72/57/60/761725760.db2.gz UPOOMACJGUQZHJ-MAUKXSAKSA-N 2 0 317.433 0.407 20 30 DCEDRP C#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)C[N@@H+](C)CCC)C1 ZINC001130446771 763312718 /nfs/dbraw/zinc/31/27/18/763312718.db2.gz QZWASPDCOMENAA-AWEZNQCLSA-N 2 0 317.437 0.790 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC#CCOC)C1 ZINC001100383225 763535821 /nfs/dbraw/zinc/53/58/21/763535821.db2.gz QRERSSIHNHGMLZ-OFLPRAFFSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001100874523 763837123 /nfs/dbraw/zinc/83/71/23/763837123.db2.gz LDSDEKDLYPNFAA-UHFFFAOYSA-N 2 0 305.422 0.216 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001100890387 763844380 /nfs/dbraw/zinc/84/43/80/763844380.db2.gz YFVXXJOILSVMRV-UHFFFAOYSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C1(C[NH+](C)C)CC1)C[C@@H](C)O2 ZINC001131677842 763945281 /nfs/dbraw/zinc/94/52/81/763945281.db2.gz PTELQDDYHHQION-CRAIPNDOSA-N 2 0 319.449 0.653 20 30 DCEDRP COCC#CC[NH2+]CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001131799121 764035547 /nfs/dbraw/zinc/03/55/47/764035547.db2.gz IXRJYCMTKTZUIR-UHFFFAOYSA-N 2 0 309.454 0.854 20 30 DCEDRP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294418 764911833 /nfs/dbraw/zinc/91/18/33/764911833.db2.gz IEJJHLUBUFJIDR-CQSZACIVSA-N 2 0 312.458 0.457 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642975 765100430 /nfs/dbraw/zinc/10/04/30/765100430.db2.gz CGQOYMYWQWFUTN-HZPDHXFCSA-N 2 0 309.454 0.662 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC001137521317 765535425 /nfs/dbraw/zinc/53/54/25/765535425.db2.gz QRMQUYJKYBSUMN-CVEARBPZSA-N 2 0 309.454 0.988 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134612590 765590551 /nfs/dbraw/zinc/59/05/51/765590551.db2.gz OSQHVRKHMYCRRR-KBPBESRZSA-N 2 0 322.453 0.093 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001115119170 765596028 /nfs/dbraw/zinc/59/60/28/765596028.db2.gz SHHRETKRPHRNFF-AIANPOQGSA-N 2 0 305.422 0.024 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134750319 765654886 /nfs/dbraw/zinc/65/48/86/765654886.db2.gz UMVBPQUHICQDPJ-AWEZNQCLSA-N 2 0 310.442 0.259 20 30 DCEDRP N#CCC(=O)Nc1nc2ccccc2nc1N[C@H]([NH3+])CCC[NH3+] ZINC001170896565 766248605 /nfs/dbraw/zinc/24/86/05/766248605.db2.gz HFSYXJJQEJTGDG-LBPRGKRZSA-N 2 0 313.365 0.918 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=C)C)C[C@@H]2O)CC1 ZINC001090832009 766649582 /nfs/dbraw/zinc/64/95/82/766649582.db2.gz XSDXRKYAUMIYRF-IRXDYDNUSA-N 2 0 319.449 0.459 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001122247426 767751047 /nfs/dbraw/zinc/75/10/47/767751047.db2.gz FWHSDDGHDYINBL-GJZGRUSLSA-N 2 0 307.463 0.685 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](C[C@H](C)O)C[C@H]2C)CC1 ZINC001093224482 768501553 /nfs/dbraw/zinc/50/15/53/768501553.db2.gz YPEDZHWBLXAZCE-HLLBOEOZSA-N 2 0 321.465 0.397 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001202990772 768503876 /nfs/dbraw/zinc/50/38/76/768503876.db2.gz CYRPWKUMSDKXLG-AWEZNQCLSA-N 2 0 324.469 0.600 20 30 DCEDRP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151073223 769252247 /nfs/dbraw/zinc/25/22/47/769252247.db2.gz GRLHSFWSJNLBLF-LSDHHAIUSA-N 2 0 324.469 0.457 20 30 DCEDRP C[C@@H]1C[N@H+](CCCNC(=O)NCC#CC[NH+](C)C)CCCO1 ZINC001234145244 769563835 /nfs/dbraw/zinc/56/38/35/769563835.db2.gz CNCNPLOVEOZMPY-OAHLLOKOSA-N 2 0 310.442 0.352 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001150333877 769738010 /nfs/dbraw/zinc/73/80/10/769738010.db2.gz QOFVSHZRPFOIKJ-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP Cc1cc(C#N)ccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870990 769954886 /nfs/dbraw/zinc/95/48/86/769954886.db2.gz OHSTUILQQXLASL-UHFFFAOYSA-N 2 0 301.438 0.451 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C[C@H]2CCCCO2)CC1 ZINC001176926439 770225218 /nfs/dbraw/zinc/22/52/18/770225218.db2.gz MLUJCEPZXSCKQU-QGZVFWFLSA-N 2 0 321.465 0.997 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001178985438 770922092 /nfs/dbraw/zinc/92/20/92/770922092.db2.gz JOHHGKAPTHHWJZ-CBBWQLFWSA-N 2 0 324.469 0.596 20 30 DCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001179178945 770953946 /nfs/dbraw/zinc/95/39/46/770953946.db2.gz DZNHZNLBBPMSIY-SWOOZJHCSA-N 2 0 317.433 0.452 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001183289382 771632658 /nfs/dbraw/zinc/63/26/58/771632658.db2.gz VNWGJDXLUPDAAE-UONOGXRCSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001183611014 771669428 /nfs/dbraw/zinc/66/94/28/771669428.db2.gz LRQMEKXYWMYBRL-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001158072681 771721545 /nfs/dbraw/zinc/72/15/45/771721545.db2.gz AOAACCIWQRHNNH-UHFFFAOYSA-N 2 0 322.453 0.096 20 30 DCEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158092734 771725124 /nfs/dbraw/zinc/72/51/24/771725124.db2.gz PYSFDZRIKORFJR-XJKSGUPXSA-N 2 0 308.426 0.141 20 30 DCEDRP N#Cc1c(NCCOCCOCC[NH3+])ncc2c1CCC[NH2+]C2 ZINC001159442824 771910520 /nfs/dbraw/zinc/91/05/20/771910520.db2.gz FVJVYJYAIOCJRI-UHFFFAOYSA-N 2 0 319.409 0.393 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159932578 771980168 /nfs/dbraw/zinc/98/01/68/771980168.db2.gz SDCURAIPOSVJRR-TZMCWYRMSA-N 2 0 310.442 0.113 20 30 DCEDRP C=C(C)CN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160690063 772094326 /nfs/dbraw/zinc/09/43/26/772094326.db2.gz XRONZBBLFIHILL-GJZGRUSLSA-N 2 0 324.469 0.858 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001160870525 772130282 /nfs/dbraw/zinc/13/02/82/772130282.db2.gz YQMREYXPVGYBGS-JKSUJKDBSA-N 2 0 307.438 0.749 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001187276203 772158990 /nfs/dbraw/zinc/15/89/90/772158990.db2.gz BLXUIEQKKCNMDW-CQSZACIVSA-N 2 0 310.442 0.211 20 30 DCEDRP C#CCC[N@H+]1CC=C(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001161699556 772268219 /nfs/dbraw/zinc/26/82/19/772268219.db2.gz UHBWLGWJZBWISA-UHFFFAOYSA-N 2 0 307.438 0.726 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191144958 772731890 /nfs/dbraw/zinc/73/18/90/772731890.db2.gz RXPOSXLFKYIZCA-MRXNPFEDSA-N 2 0 319.449 0.797 20 30 DCEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001206929887 773138425 /nfs/dbraw/zinc/13/84/25/773138425.db2.gz HLXHERXKNTUIBA-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001194026701 773140063 /nfs/dbraw/zinc/14/00/63/773140063.db2.gz IYOMOPPHFXPHSG-JKSUJKDBSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001194996807 773302875 /nfs/dbraw/zinc/30/28/75/773302875.db2.gz HWVRLJWLLSRGDC-IAGOWNOFSA-N 2 0 321.465 0.826 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001208410916 773455805 /nfs/dbraw/zinc/45/58/05/773455805.db2.gz HVZHOAPRGHAMEA-UONOGXRCSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCNC(=O)CN1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001196349217 773582281 /nfs/dbraw/zinc/58/22/81/773582281.db2.gz FZWYZFUHTKHZHA-UHFFFAOYSA-N 2 0 324.469 0.553 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001209632213 773627261 /nfs/dbraw/zinc/62/72/61/773627261.db2.gz LFAFLOITQGYYJF-GJZGRUSLSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001152324297 773722161 /nfs/dbraw/zinc/72/21/61/773722161.db2.gz OVYBNBBARVZBBO-HOTGVXAUSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CCNC(=O)[C@@H](C)N1CCCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001197691631 773784931 /nfs/dbraw/zinc/78/49/31/773784931.db2.gz LMTFQRBQGWJJRP-OAHLLOKOSA-N 2 0 322.453 0.000 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211284262 773789883 /nfs/dbraw/zinc/78/98/83/773789883.db2.gz KGYUPLGFOSOKLY-CABCVRRESA-N 2 0 324.469 0.598 20 30 DCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001214956780 774028549 /nfs/dbraw/zinc/02/85/49/774028549.db2.gz FYURRLSHYCMVFE-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP N#Cc1cc2cccnc2nc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218541493 774242030 /nfs/dbraw/zinc/24/20/30/774242030.db2.gz INKGRDTYBTZFBQ-GFCCVEGCSA-N 2 0 308.345 0.249 20 30 DCEDRP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550865 774244313 /nfs/dbraw/zinc/24/43/13/774244313.db2.gz QTGVXHVMDVLPOD-LSDHHAIUSA-N 2 0 307.438 0.816 20 30 DCEDRP N#Cc1c(NC(=O)COC2CC[NH2+]CC2)sc2c1CC[NH2+]C2 ZINC001218555282 774246015 /nfs/dbraw/zinc/24/60/15/774246015.db2.gz ZLPHGNAEZBYEJN-UHFFFAOYSA-N 2 0 320.418 0.973 20 30 DCEDRP CC(C)(C)n1cc(C#N)cc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218561392 774247713 /nfs/dbraw/zinc/24/77/13/774247713.db2.gz ZCUVYPXXDURRHI-GFCCVEGCSA-N 2 0 301.394 0.862 20 30 DCEDRP N#CCc1cccc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001218987678 774340660 /nfs/dbraw/zinc/34/06/60/774340660.db2.gz MVULPGBSDCRUHK-OAHLLOKOSA-N 2 0 301.394 0.442 20 30 DCEDRP N#CCc1cccc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001218987677 774341265 /nfs/dbraw/zinc/34/12/65/774341265.db2.gz MVULPGBSDCRUHK-HNNXBMFYSA-N 2 0 301.394 0.442 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200527881 774361441 /nfs/dbraw/zinc/36/14/41/774361441.db2.gz BRZQJNJOEKEMBI-IAGOWNOFSA-N 2 0 319.449 0.559 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCO1 ZINC001200553920 774363224 /nfs/dbraw/zinc/36/32/24/774363224.db2.gz CDWJNKKWAJBTPC-IXDOHACOSA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200687414 774389942 /nfs/dbraw/zinc/38/99/42/774389942.db2.gz ARGWULROLWINQZ-HZPDHXFCSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219724511 774591617 /nfs/dbraw/zinc/59/16/17/774591617.db2.gz OMZSDYCRMLOWLA-MJBXVCDLSA-N 2 0 301.406 0.404 20 30 DCEDRP C=CCOCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001202504546 774770734 /nfs/dbraw/zinc/77/07/34/774770734.db2.gz UPASTQZZHIFXMT-GDBMZVCRSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CC[C@H]([NH3+])C(=O)NC1(c2cccc(OC)c2)CC[NH2+]CC1 ZINC001221094307 774994212 /nfs/dbraw/zinc/99/42/12/774994212.db2.gz OSQYSIMZRRUTRM-HNNXBMFYSA-N 2 0 301.390 0.741 20 30 DCEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001095429273 775115598 /nfs/dbraw/zinc/11/55/98/775115598.db2.gz OOPMMYUFADISPN-KBMXLJTQSA-N 2 0 317.437 0.966 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001229692897 776213855 /nfs/dbraw/zinc/21/38/55/776213855.db2.gz MKXNKWRNCUTCJP-BRWVUGGUSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCOCC[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230048844 776247130 /nfs/dbraw/zinc/24/71/30/776247130.db2.gz WDRSGEKESXWROD-UHFFFAOYSA-N 2 0 313.442 0.348 20 30 DCEDRP C=CCNC(=O)CN(C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001480864814 939049595 /nfs/dbraw/zinc/04/95/95/939049595.db2.gz UJXLVHZDVNCXIU-CQSZACIVSA-N 2 0 310.442 0.209 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001266879730 939264670 /nfs/dbraw/zinc/26/46/70/939264670.db2.gz XFLARRNFHMPRGF-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)C2CC[NH+](C)CC2)C1=O ZINC001267422589 939453113 /nfs/dbraw/zinc/45/31/13/939453113.db2.gz NJUHHEPCQGXVPP-HNNXBMFYSA-N 2 0 322.453 0.163 20 30 DCEDRP C=CCNC(=O)[C@@H](C)N(CC)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001480965028 939503949 /nfs/dbraw/zinc/50/39/49/939503949.db2.gz JXLAHOLZNRAYHP-KGLIPLIRSA-N 2 0 310.442 0.209 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001420176561 939615576 /nfs/dbraw/zinc/61/55/76/939615576.db2.gz UPNHXIXFCPLUIE-LBPRGKRZSA-N 2 0 305.850 0.784 20 30 DCEDRP C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267668792 939619018 /nfs/dbraw/zinc/61/90/18/939619018.db2.gz CEMNZUYYSNNPKX-HUUCEWRRSA-N 2 0 322.453 0.163 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]C[C@H](C)OC)CC1 ZINC001267832171 939691659 /nfs/dbraw/zinc/69/16/59/939691659.db2.gz YFXIYVGAIHHIRA-GOEBONIOSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001278397718 945275496 /nfs/dbraw/zinc/27/54/96/945275496.db2.gz VSOXZPJGGGLVGA-INMHGKMJSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H]2CC[N@@H+](C[C@H](C)O)C2)CC1 ZINC001481461800 939875615 /nfs/dbraw/zinc/87/56/15/939875615.db2.gz IXOMVWBTCWZCCQ-HOTGVXAUSA-N 2 0 321.465 0.541 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001268220022 939994056 /nfs/dbraw/zinc/99/40/56/939994056.db2.gz REPBFAUFKRADGV-HOTGVXAUSA-N 2 0 309.454 0.708 20 30 DCEDRP C#CCNC(=O)[C@H](C)N1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001268215460 939994304 /nfs/dbraw/zinc/99/43/04/939994304.db2.gz JOZVUUVZSAGILP-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C ZINC001268217528 939994462 /nfs/dbraw/zinc/99/44/62/939994462.db2.gz ZEVFQEMBTIWZFJ-HZPDHXFCSA-N 2 0 311.470 0.953 20 30 DCEDRP C=CCN1CC[C@@H](N2CC[C@@H](NC(=O)C[N@@H+](C)CCC)C2)C1=O ZINC001481708452 940064883 /nfs/dbraw/zinc/06/48/83/940064883.db2.gz SDGRYQOSABLFLY-HUUCEWRRSA-N 2 0 322.453 0.306 20 30 DCEDRP C#CCC[NH2+]CC[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001268373776 940086827 /nfs/dbraw/zinc/08/68/27/940086827.db2.gz FCKDGLQXFNMKLU-HNNXBMFYSA-N 2 0 309.454 0.853 20 30 DCEDRP N#Cc1cc(NC[C@@]2(O)CC[NH2+]C2)ccc1N1CC[NH2+]CC1 ZINC001245966277 945302099 /nfs/dbraw/zinc/30/20/99/945302099.db2.gz LJTGGBISOJGHSX-MRXNPFEDSA-N 2 0 301.394 0.104 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001270165809 940847980 /nfs/dbraw/zinc/84/79/80/940847980.db2.gz QNKOGLVCLFCUHT-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001271883477 941472395 /nfs/dbraw/zinc/47/23/95/941472395.db2.gz BAZTZZWZQQGXBD-CABCVRRESA-N 2 0 324.469 0.503 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001482675542 941619356 /nfs/dbraw/zinc/61/93/56/941619356.db2.gz DPWVGKNQNFZRJU-HUUCEWRRSA-N 2 0 317.437 0.566 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482991481 941761402 /nfs/dbraw/zinc/76/14/02/941761402.db2.gz RTWVPTUSXFLXRC-BEVHLOIGSA-N 2 0 308.426 0.033 20 30 DCEDRP C#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001484025260 943085493 /nfs/dbraw/zinc/08/54/93/943085493.db2.gz IOGFGXZUSXJBJB-INIZCTEOSA-N 2 0 306.454 0.178 20 30 DCEDRP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001484025584 943087306 /nfs/dbraw/zinc/08/73/06/943087306.db2.gz MTIHGWSYGTXLND-INIZCTEOSA-N 2 0 306.454 0.180 20 30 DCEDRP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001484357074 943334409 /nfs/dbraw/zinc/33/44/09/943334409.db2.gz YFEAUWDILIKLHC-HOTGVXAUSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CCO1 ZINC001484683909 943515852 /nfs/dbraw/zinc/51/58/52/943515852.db2.gz LFULNTYFSUGWEK-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001484728696 943537855 /nfs/dbraw/zinc/53/78/55/943537855.db2.gz UHAZQRBVAIVSTI-OAHLLOKOSA-N 2 0 322.453 0.355 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001484839510 943589237 /nfs/dbraw/zinc/58/92/37/943589237.db2.gz LCOVWWYUUMZOER-DOTOQJQBSA-N 2 0 307.438 0.436 20 30 DCEDRP C#CCN1CC[NH+](CCCCCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001485010176 943652267 /nfs/dbraw/zinc/65/22/67/943652267.db2.gz UWAFGJYTQQWFRZ-KRWDZBQOSA-N 2 0 320.481 0.618 20 30 DCEDRP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001485580301 944012564 /nfs/dbraw/zinc/01/25/64/944012564.db2.gz FTJGDLNZPJYTQW-HUUCEWRRSA-N 2 0 309.454 0.967 20 30 DCEDRP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001485580302 944012856 /nfs/dbraw/zinc/01/28/56/944012856.db2.gz FTJGDLNZPJYTQW-LSDHHAIUSA-N 2 0 309.454 0.967 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001485620869 944032553 /nfs/dbraw/zinc/03/25/53/944032553.db2.gz ZIIAZIGWNNUVPU-OSYLJGHBSA-N 2 0 321.465 0.967 20 30 DCEDRP COCC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001316930695 944657191 /nfs/dbraw/zinc/65/71/91/944657191.db2.gz KMJRXXLHMGDHNH-NVXWUHKLSA-N 2 0 321.465 0.899 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001317084127 944785667 /nfs/dbraw/zinc/78/56/67/944785667.db2.gz AXZFSIDUVXHTNQ-AJNGGQMLSA-N 2 0 322.453 0.256 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001317280690 944896842 /nfs/dbraw/zinc/89/68/42/944896842.db2.gz MOMATFZSSXGLSY-LSDHHAIUSA-N 2 0 324.469 0.503 20 30 DCEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246517891 945424484 /nfs/dbraw/zinc/42/44/84/945424484.db2.gz BUUPYJDOTFIZDX-INIZCTEOSA-N 3 0 301.438 0.747 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CCC[C@H](C)O)CC1 ZINC001319590342 945625689 /nfs/dbraw/zinc/62/56/89/945625689.db2.gz QZWYDPGPIUDBPW-HOTGVXAUSA-N 2 0 323.481 0.929 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001319592105 945625849 /nfs/dbraw/zinc/62/58/49/945625849.db2.gz GYBPHAIXOOIXSN-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001319592101 945626527 /nfs/dbraw/zinc/62/65/27/945626527.db2.gz GYBPHAIXOOIXSN-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCN2CCOCC2)C1 ZINC001278599797 945675172 /nfs/dbraw/zinc/67/51/72/945675172.db2.gz BSKYCJIOAMTPLM-HZPDHXFCSA-N 2 0 307.438 0.607 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1conc1C ZINC001321543357 946372809 /nfs/dbraw/zinc/37/28/09/946372809.db2.gz MLNQCQJKCGQTJD-DOMZBBRYSA-N 2 0 304.394 0.675 20 30 DCEDRP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001279005299 946723571 /nfs/dbraw/zinc/72/35/71/946723571.db2.gz AIWZIEFBSPWHTB-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001324826213 947543058 /nfs/dbraw/zinc/54/30/58/947543058.db2.gz NKFPPDWKDSVURZ-WBVHZDCISA-N 2 0 309.454 0.969 20 30 DCEDRP C#CC[NH2+]CC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001263098199 947808615 /nfs/dbraw/zinc/80/86/15/947808615.db2.gz VTCYWZMJFYWHFC-HOTGVXAUSA-N 2 0 306.454 0.226 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC001179546267 947867886 /nfs/dbraw/zinc/86/78/86/947867886.db2.gz IIUMIQXLQPHLRU-HOTGVXAUSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186816537 947943317 /nfs/dbraw/zinc/94/33/17/947943317.db2.gz ABUZOPIOSIWYPH-UONOGXRCSA-N 2 0 310.442 0.209 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001326507776 948181572 /nfs/dbraw/zinc/18/15/72/948181572.db2.gz JXLXMMYAXASMBL-BRWVUGGUSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCCN1CC2(C1)CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)O2 ZINC001327365407 948479852 /nfs/dbraw/zinc/47/98/52/948479852.db2.gz SNDLZGZNZMGIAK-CVEARBPZSA-N 2 0 319.449 0.701 20 30 DCEDRP C=CCC[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCOCC1 ZINC001327670517 948589898 /nfs/dbraw/zinc/58/98/98/948589898.db2.gz XFBVRAPNCUGYDR-UHFFFAOYSA-N 2 0 307.438 0.913 20 30 DCEDRP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001273883359 948655432 /nfs/dbraw/zinc/65/54/32/948655432.db2.gz AHHOCVURUJDUFM-KRWDZBQOSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001263820616 948765613 /nfs/dbraw/zinc/76/56/13/948765613.db2.gz CQVAVQARWJFJLG-HOTGVXAUSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CCC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001264077154 948867132 /nfs/dbraw/zinc/86/71/32/948867132.db2.gz UONKEUGGMQJBQD-SJORKVTESA-N 2 0 321.465 0.779 20 30 DCEDRP C#CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001264584238 949017499 /nfs/dbraw/zinc/01/74/99/949017499.db2.gz PBLBMQZJBRYOTK-UHFFFAOYSA-N 2 0 319.409 0.252 20 30 DCEDRP CC#CC[N@H+](C)CCOCCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001264666113 949062805 /nfs/dbraw/zinc/06/28/05/949062805.db2.gz DXVXVLCAVJLLFV-INIZCTEOSA-N 2 0 309.454 0.758 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001488744079 949186578 /nfs/dbraw/zinc/18/65/78/949186578.db2.gz OITKZYQBOPAVNQ-LXTVHRRPSA-N 2 0 316.405 0.647 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCOCC)C2)CC1 ZINC001265459886 949701195 /nfs/dbraw/zinc/70/11/95/949701195.db2.gz QLLJWKXPIAVURT-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCC[C@H](C)O)CC1 ZINC001329621988 949726185 /nfs/dbraw/zinc/72/61/85/949726185.db2.gz ATGKSCHCRCOTAG-CVEARBPZSA-N 2 0 323.481 0.929 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001265673274 949866346 /nfs/dbraw/zinc/86/63/46/949866346.db2.gz BILWFNBRZGGGIP-HUUCEWRRSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001265977180 950218910 /nfs/dbraw/zinc/21/89/10/950218910.db2.gz VLTLMCSFEYFOCA-RDJZCZTQSA-N 2 0 321.465 0.969 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001490280503 950496555 /nfs/dbraw/zinc/49/65/55/950496555.db2.gz ZYQKHSOOZYMXEZ-KBPBESRZSA-N 2 0 310.442 0.067 20 30 DCEDRP COCC#CC[NH+]1CCC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001490420697 950683923 /nfs/dbraw/zinc/68/39/23/950683923.db2.gz CRNRFJJTVSUCTN-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCOCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001280619069 950991368 /nfs/dbraw/zinc/99/13/68/950991368.db2.gz GNLSVGQPHPIFOT-LSDHHAIUSA-N 2 0 311.426 0.100 20 30 DCEDRP C#CCN(C(=O)C1CN(C)CC[N@H+](C)C1)C1CC[NH+](C)CC1 ZINC000886573456 951303409 /nfs/dbraw/zinc/30/34/09/951303409.db2.gz JEPJNXJGFYZWOS-UHFFFAOYSA-N 2 0 306.454 0.036 20 30 DCEDRP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001281183523 951357507 /nfs/dbraw/zinc/35/75/07/951357507.db2.gz CAJNJDAMTRJVNZ-QGZVFWFLSA-N 2 0 307.438 0.601 20 30 DCEDRP C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001274134191 951440743 /nfs/dbraw/zinc/44/07/43/951440743.db2.gz QELYZWXILRZILG-GEXIGZQTSA-N 2 0 308.426 0.035 20 30 DCEDRP C=C(C)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001281618529 951562952 /nfs/dbraw/zinc/56/29/52/951562952.db2.gz MZUAWQSYZKPOFA-OAHLLOKOSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001281675561 951596412 /nfs/dbraw/zinc/59/64/12/951596412.db2.gz MLBARDASHVOFCW-GJZGRUSLSA-N 2 0 324.469 0.600 20 30 DCEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC#CCOC)[C@@H](C)C1 ZINC001281687376 951598116 /nfs/dbraw/zinc/59/81/16/951598116.db2.gz XOWFEDFQCFVJTN-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH2+]CCOC)CC2)CC1 ZINC001274398956 951607243 /nfs/dbraw/zinc/60/72/43/951607243.db2.gz YWPBJYUQMYDGFN-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCCC[NH+]1CC(N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001274479702 951654664 /nfs/dbraw/zinc/65/46/64/951654664.db2.gz KHKZWGSJSVDNHI-UHFFFAOYSA-N 2 0 320.481 0.877 20 30 DCEDRP CCN1CC[NH+](CCCCNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001332517379 951676628 /nfs/dbraw/zinc/67/66/28/951676628.db2.gz PUOZYHCGSNQTCK-OAHLLOKOSA-N 2 0 309.458 0.541 20 30 DCEDRP C#CCN1CCC[C@H](NC(=O)N2CCN([C@H]3CCOC3)CC2)C1 ZINC001333676608 952130956 /nfs/dbraw/zinc/13/09/56/952130956.db2.gz DYPXWNDXKSPUHE-HOTGVXAUSA-N 2 0 320.437 0.200 20 30 DCEDRP C#CCC[N@@H+](C)C[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001275560665 952263249 /nfs/dbraw/zinc/26/32/49/952263249.db2.gz SDRKCBNJIRTTGH-AWEZNQCLSA-N 2 0 305.426 0.518 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001281890289 953404810 /nfs/dbraw/zinc/40/48/10/953404810.db2.gz JMIHXUNHDSHNEL-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001282289709 953537952 /nfs/dbraw/zinc/53/79/52/953537952.db2.gz XXLBWJMENUCBHQ-CQSZACIVSA-N 2 0 324.469 0.457 20 30 DCEDRP COCC#CC[NH2+]C1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001284812841 955266102 /nfs/dbraw/zinc/26/61/02/955266102.db2.gz HSOJIBKXRDWXSD-UHFFFAOYSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CC[N@@H+](C)CCOCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001316763680 960316835 /nfs/dbraw/zinc/31/68/35/960316835.db2.gz SIMMZYJUKCBGEY-INIZCTEOSA-N 2 0 309.454 0.921 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](CC)CCO)C2)CC1 ZINC001316746311 960362473 /nfs/dbraw/zinc/36/24/73/960362473.db2.gz AKZRVKCWGZAEPR-KRWDZBQOSA-N 2 0 321.465 0.637 20 30 DCEDRP C=C(Br)C[NH2+]C[C@H](O)CNC(=O)[C@H](CC)[NH+](C)C ZINC001379239184 962437816 /nfs/dbraw/zinc/43/78/16/962437816.db2.gz GLYQIMYBJMZZMT-QWRGUYRKSA-N 2 0 322.247 0.302 20 30 DCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(C#N)s1 ZINC001379460404 962975655 /nfs/dbraw/zinc/97/56/55/962975655.db2.gz GNPYVSTXJKBLHB-BXUZGUMPSA-N 2 0 322.434 0.281 20 30 DCEDRP C=C(Cl)C[NH2+][C@@]1(CO)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001381056236 963786673 /nfs/dbraw/zinc/78/66/73/963786673.db2.gz SOEOEJBVZBUITN-HNNXBMFYSA-N 2 0 315.845 0.778 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001394744289 994094589 /nfs/dbraw/zinc/09/45/89/994094589.db2.gz UCACACUTRGFTSS-FRRDWIJNSA-N 2 0 303.834 0.488 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C[C@@H](C)OC)C1 ZINC001502670117 1016017103 /nfs/dbraw/zinc/01/71/03/1016017103.db2.gz LTQJTKXEJUSBLO-OAGGEKHMSA-N 2 0 307.438 0.700 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001502720939 1016040710 /nfs/dbraw/zinc/04/07/10/1016040710.db2.gz KMISCQDHHDWVSS-DZGCQCFKSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001507242448 1016171640 /nfs/dbraw/zinc/17/16/40/1016171640.db2.gz HLJNBQRXGVCIBU-MRXNPFEDSA-N 2 0 303.406 0.452 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001505443550 1016249565 /nfs/dbraw/zinc/24/95/65/1016249565.db2.gz LZHVDJOHWPGXBL-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001507325522 1016252415 /nfs/dbraw/zinc/25/24/15/1016252415.db2.gz ARQQFMCEAFTODZ-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001508029678 1016612444 /nfs/dbraw/zinc/61/24/44/1016612444.db2.gz RETKLLKSVXOYJZ-AWEZNQCLSA-N 2 0 324.469 0.505 20 30 DCEDRP COCC#CCN1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001506656275 1017441205 /nfs/dbraw/zinc/44/12/05/1017441205.db2.gz RLMSOZUANWPBDA-GJZGRUSLSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001506847676 1017609432 /nfs/dbraw/zinc/60/94/32/1017609432.db2.gz QCYKSMFTAMWIGH-JKSUJKDBSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001497219948 1017975450 /nfs/dbraw/zinc/97/54/50/1017975450.db2.gz LPDYMDHPZAEDRJ-OAHLLOKOSA-N 2 0 307.438 0.749 20 30 DCEDRP CC#CCN1CC[NH+](CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001479924192 1017981788 /nfs/dbraw/zinc/98/17/88/1017981788.db2.gz KJAYFWWCESQEDP-QGZVFWFLSA-N 2 0 322.497 0.720 20 30 DCEDRP C=CCOCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001500401491 1018440744 /nfs/dbraw/zinc/44/07/44/1018440744.db2.gz FYDCRDCBUAQAGP-WBVHZDCISA-N 2 0 309.454 0.969 20 30 DCEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001480796408 1018921015 /nfs/dbraw/zinc/92/10/15/1018921015.db2.gz NKLDYFCGZVFZHI-AWEZNQCLSA-N 2 0 305.426 0.566 20 30 DCEDRP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001496097625 1019065450 /nfs/dbraw/zinc/06/54/50/1019065450.db2.gz RNWCNDBQGJVHER-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+][C@H](CC)C(N)=O)CC1 ZINC001496238790 1019186135 /nfs/dbraw/zinc/18/61/35/1019186135.db2.gz MXCIWHUMRJYBFG-UKRRQHHQSA-N 2 0 322.453 0.032 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001501577543 1019302715 /nfs/dbraw/zinc/30/27/15/1019302715.db2.gz ARIPTSVCPRJJNR-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001496921683 1019760490 /nfs/dbraw/zinc/76/04/90/1019760490.db2.gz AGOCKMHTXRMXSR-HZPDHXFCSA-N 2 0 309.454 0.851 20 30 DCEDRP CN(C)C(=O)CNC(NC1CC[NH+](C2CC2)CC1)=[NH+]C1CC1 ZINC000262326138 238172584 /nfs/dbraw/zinc/17/25/84/238172584.db2.gz TZKSDIBQRYPSLD-UHFFFAOYSA-N 2 0 307.442 0.399 20 30 DCEDRP C#CCNC(=O)CC[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000491120722 397500047 /nfs/dbraw/zinc/50/00/47/397500047.db2.gz NARYLHXTTJFTIS-HOTGVXAUSA-N 2 0 309.454 0.853 20 30 DCEDRP C[NH+]=C(NCCn1ccnc1C)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261769848 416335453 /nfs/dbraw/zinc/33/54/53/416335453.db2.gz NWWNTBJMRNYLDC-DOMZBBRYSA-N 2 0 304.442 0.839 20 30 DCEDRP C[NH+]=C(NCCCN1CCC[N@H+](C)CC1)NCc1ccco1 ZINC000264057440 416338937 /nfs/dbraw/zinc/33/89/37/416338937.db2.gz ONFOONCWZINESG-UHFFFAOYSA-N 2 0 307.442 0.972 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000419736917 416407948 /nfs/dbraw/zinc/40/79/48/416407948.db2.gz XQEYCQCTYRKVLW-DZGCQCFKSA-N 2 0 322.453 0.481 20 30 DCEDRP C#CCN1CCN(C(=O)CN2CCC[C@H]2c2ccc[nH]2)CC1 ZINC000490852937 416578014 /nfs/dbraw/zinc/57/80/14/416578014.db2.gz OQBKLAYNAXXVBQ-INIZCTEOSA-N 2 0 300.406 0.929 20 30 DCEDRP C#CCNC(=O)CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000491714873 416617854 /nfs/dbraw/zinc/61/78/54/416617854.db2.gz HZJCMKZOQBTLOO-CVEARBPZSA-N 2 0 307.438 0.483 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000491728415 416620637 /nfs/dbraw/zinc/62/06/37/416620637.db2.gz MLBBJRJBNJAFHK-UHFFFAOYSA-N 2 0 324.469 0.742 20 30 DCEDRP C=CC[C@]1(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CCC[NH2+]1 ZINC000662756240 417891933 /nfs/dbraw/zinc/89/19/33/417891933.db2.gz ILGVYDXRQHVGNJ-SJLPKXTDSA-N 2 0 320.481 0.923 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652692499 417945881 /nfs/dbraw/zinc/94/58/81/417945881.db2.gz WFNXXDNCKDRYQS-UHFFFAOYSA-N 2 0 322.453 0.388 20 30 DCEDRP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](N3CCOCC3)CC2)C1=O ZINC000660476768 418262699 /nfs/dbraw/zinc/26/26/99/418262699.db2.gz FKSLHVWRQFGHNI-HZPDHXFCSA-N 2 0 307.438 0.960 20 30 DCEDRP C(#CC[N@@H+]1CC[C@H]2COC[C@@H]2C1)C[NH+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662037513 418377126 /nfs/dbraw/zinc/37/71/26/418377126.db2.gz UGKWLIMLUIPMJO-MHORFTMASA-N 2 0 304.434 0.926 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001568278010 1160619366 /nfs/dbraw/zinc/61/93/66/1160619366.db2.gz LJTFOSYIHILUDT-UONOGXRCSA-N 2 0 322.453 0.045 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001568362575 1160635445 /nfs/dbraw/zinc/63/54/45/1160635445.db2.gz IHOOGCLJSXMDOO-HOTGVXAUSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000377370994 526925686 /nfs/dbraw/zinc/92/56/86/526925686.db2.gz BBAJHBZUWMDSLA-JKSUJKDBSA-N 2 0 305.422 0.311 20 30 DCEDRP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)NC[C@]1(C)CCCO1 ZINC000261708128 528810845 /nfs/dbraw/zinc/81/08/45/528810845.db2.gz GZDLOJWNKFPIQF-ZBFHGGJFSA-N 2 0 311.474 0.356 20 30 DCEDRP CC[NH+]=C(NCc1cnn(C)c1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261968322 528818878 /nfs/dbraw/zinc/81/88/78/528818878.db2.gz MBAWRASRTTUGDQ-SWLSCSKDSA-N 2 0 304.442 0.958 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCN(C)C(=O)CC[N@@H+](C)CC)CC1 ZINC001664781389 1174458217 /nfs/dbraw/zinc/45/82/17/1174458217.db2.gz LJTAPTACPRHVGJ-UHFFFAOYSA-N 2 0 310.486 0.980 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000669464937 546974991 /nfs/dbraw/zinc/97/49/91/546974991.db2.gz LWGSNLKMVXEJPJ-HIFRSBDPSA-N 2 0 310.442 0.785 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)C[C@@H](C)O)C2)CC1 ZINC001027693571 660626176 /nfs/dbraw/zinc/62/61/76/660626176.db2.gz GAGXEKWZSJXFSF-WBVHZDCISA-N 2 0 321.465 0.635 20 30 DCEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N2CCOCC2)C1 ZINC000980454780 660945477 /nfs/dbraw/zinc/94/54/77/660945477.db2.gz YZURQBBRNUHCEV-HZPDHXFCSA-N 2 0 307.438 0.816 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028037511 661094348 /nfs/dbraw/zinc/09/43/48/661094348.db2.gz ZITVLYAGHIPDKI-GYMHETDLSA-N 2 0 303.406 0.063 20 30 DCEDRP C=CCN1CCO[C@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC000972552898 657762166 /nfs/dbraw/zinc/76/21/66/657762166.db2.gz VGSGDYRQNUUSLM-NVXWUHKLSA-N 2 0 307.438 0.960 20 30 DCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC000969467000 657906367 /nfs/dbraw/zinc/90/63/67/657906367.db2.gz YGMRHGSEXAZCAV-HZPDHXFCSA-N 2 0 305.422 0.311 20 30 DCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CN2CCc3sccc3C2)C1 ZINC000970785633 657907082 /nfs/dbraw/zinc/90/70/82/657907082.db2.gz FVJCXDQQWATPPY-CQSZACIVSA-N 2 0 303.431 0.930 20 30 DCEDRP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001023550904 657978141 /nfs/dbraw/zinc/97/81/41/657978141.db2.gz PPJWYYOOUVPEJT-HOTGVXAUSA-N 2 0 307.438 0.557 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023552283 657981872 /nfs/dbraw/zinc/98/18/72/657981872.db2.gz CMOAXAYIQWTJMN-SJORKVTESA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC000972314340 658555118 /nfs/dbraw/zinc/55/51/18/658555118.db2.gz CNQMLFZKVJOMGI-DOTOQJQBSA-N 2 0 323.437 0.196 20 30 DCEDRP C#CC[NH2+]C1CCC(NC(=O)c2cc(CN(C)C)on2)CC1 ZINC001026518997 659378363 /nfs/dbraw/zinc/37/83/63/659378363.db2.gz UPGSKBGXZUEBJH-UHFFFAOYSA-N 2 0 304.394 1.000 20 30 DCEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](C2CC2)N2CCOCC2)C1 ZINC001019799629 659614897 /nfs/dbraw/zinc/61/48/97/659614897.db2.gz XFWGAGAWERXUGR-HOTGVXAUSA-N 2 0 307.438 0.864 20 30 DCEDRP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3cncc3C)C[C@@]2(C)C1 ZINC000982374777 661382880 /nfs/dbraw/zinc/38/28/80/661382880.db2.gz SWKRMQBOWGXGHQ-CALCHBBNSA-N 2 0 300.406 0.995 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698836 661765239 /nfs/dbraw/zinc/76/52/39/661765239.db2.gz QPXKFRMFTBHTNI-UERKLNTKSA-N 2 0 317.433 0.311 20 30 DCEDRP C=C(C)CN1CCC([NH2+][C@@H]2C(=O)NCC23CCOCC3)CC1 ZINC000924983320 661832702 /nfs/dbraw/zinc/83/27/02/661832702.db2.gz DOTAXXONUYROPU-OAHLLOKOSA-N 2 0 307.438 0.912 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC000947319507 662509207 /nfs/dbraw/zinc/50/92/07/662509207.db2.gz SGMISPZHRONAIM-LSDHHAIUSA-N 2 0 317.437 0.661 20 30 DCEDRP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000989542938 662957231 /nfs/dbraw/zinc/95/72/31/662957231.db2.gz JQUXIASKOZJBPG-UKRRQHHQSA-N 2 0 303.410 0.271 20 30 DCEDRP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001000714805 665920945 /nfs/dbraw/zinc/92/09/45/665920945.db2.gz NDNSZWCUEYSTSY-SJORKVTESA-N 2 0 317.433 0.621 20 30 DCEDRP C#CCC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001000714796 665921012 /nfs/dbraw/zinc/92/10/12/665921012.db2.gz NDNSZWCUEYSTSY-IAGOWNOFSA-N 2 0 317.433 0.621 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900605314 663260168 /nfs/dbraw/zinc/26/01/68/663260168.db2.gz IUELRWVWAQTREF-QGZVFWFLSA-N 2 0 309.454 0.990 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)[C@@H]1CCCN1Cc1ccccn1 ZINC000913519164 664337636 /nfs/dbraw/zinc/33/76/36/664337636.db2.gz QGUNDSRKDXHVFC-INIZCTEOSA-N 2 0 300.406 0.727 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001691170633 1157604667 /nfs/dbraw/zinc/60/46/67/1157604667.db2.gz DSBXZLXJWPXIDD-HOTGVXAUSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC001032837213 666288871 /nfs/dbraw/zinc/28/88/71/666288871.db2.gz LKJNVPFNIBMNKC-ZACQAIPSSA-N 2 0 319.449 0.701 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](C[C@@H]3CCOC3)C2)CC1 ZINC001032207755 666453330 /nfs/dbraw/zinc/45/33/30/666453330.db2.gz ZJCQCGURHXGEQF-HNNXBMFYSA-N 2 0 319.449 0.416 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000945184230 666580407 /nfs/dbraw/zinc/58/04/07/666580407.db2.gz VVZIMNJWMDYYIP-GOEBONIOSA-N 2 0 307.438 0.151 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2C)CC1 ZINC000945184234 666580627 /nfs/dbraw/zinc/58/06/27/666580627.db2.gz VVZIMNJWMDYYIP-ZBFHGGJFSA-N 2 0 307.438 0.151 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490382 666730992 /nfs/dbraw/zinc/73/09/92/666730992.db2.gz RIUAEDWCNBERAU-MRXNPFEDSA-N 2 0 317.437 0.614 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]C[C@@H](C)O)C(C)(C)C2)CC1 ZINC000996674823 666855024 /nfs/dbraw/zinc/85/50/24/666855024.db2.gz WZYGQUIKMUEYJD-GDBMZVCRSA-N 2 0 321.465 0.539 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](C[C@@H](C)O)C2)CC1 ZINC001034044711 666906113 /nfs/dbraw/zinc/90/61/13/666906113.db2.gz DMWWKTDOASENOX-NVXWUHKLSA-N 2 0 321.465 0.635 20 30 DCEDRP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001032409328 667186879 /nfs/dbraw/zinc/18/68/79/667186879.db2.gz KYASLILXWLUVFH-GJZGRUSLSA-N 2 0 317.437 0.920 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1C[C@@H]3CCC[C@H]([NH3+])[C@H]3C1)C2 ZINC000884248047 667509126 /nfs/dbraw/zinc/50/91/26/667509126.db2.gz KFQSNMXYLUBEAC-VMTBSFNOSA-N 2 0 302.422 0.712 20 30 DCEDRP C#CC[NH+]1CCC(N(C)C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001006115449 667549136 /nfs/dbraw/zinc/54/91/36/667549136.db2.gz FFMMYUTXRLRPEE-UHFFFAOYSA-N 2 0 317.437 0.614 20 30 DCEDRP C#CC[N@H+]1CCC[C@H](NC(=O)/C=C(/C)CN2CCOCC2)C1 ZINC000923557373 667563507 /nfs/dbraw/zinc/56/35/07/667563507.db2.gz MCFYUPAWYDBIJH-IRVMHKCDSA-N 2 0 305.422 0.479 20 30 DCEDRP N#Cc1cccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@@H]4C[NH2+]C[C@@H]43)C2)c1 ZINC000872257152 667883183 /nfs/dbraw/zinc/88/31/83/667883183.db2.gz LWUKVPDYZPRCND-OWCLPIDISA-N 2 0 312.373 0.925 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926153184 668380212 /nfs/dbraw/zinc/38/02/12/668380212.db2.gz MROBEAYWCTYFLZ-AIANPOQGSA-N 2 0 309.454 0.700 20 30 DCEDRP C#CC[C@H](COC)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875929507 668399308 /nfs/dbraw/zinc/39/93/08/668399308.db2.gz ZHPUJXSMFSXBQY-BZUAXINKSA-N 2 0 324.469 0.406 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000876781889 668510253 /nfs/dbraw/zinc/51/02/53/668510253.db2.gz KTPMEEWSEDXMSA-JSGCOSHPSA-N 2 0 316.877 0.846 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000876802119 668513988 /nfs/dbraw/zinc/51/39/88/668513988.db2.gz LTOHCWTZEANYPE-ADEWGFFLSA-N 2 0 312.295 0.933 20 30 DCEDRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]1[NH2+]CCc3cc(C#N)ccc31)C2 ZINC000877371573 668610137 /nfs/dbraw/zinc/61/01/37/668610137.db2.gz JQKORRAWHIEGAH-YXJHDRRASA-N 2 0 310.401 0.813 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@H+]2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000878865124 668942785 /nfs/dbraw/zinc/94/27/85/668942785.db2.gz SOBWRJDEPOWANH-UHFFFAOYSA-N 2 0 318.465 0.182 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC#C)[C@@H](C)C2)CC1 ZINC000948070189 670053576 /nfs/dbraw/zinc/05/35/76/670053576.db2.gz NNTUHTKZBJWUDA-DOTOQJQBSA-N 2 0 301.434 0.934 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC000948069314 670053620 /nfs/dbraw/zinc/05/36/20/670053620.db2.gz FTVCLKOVECHDJY-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001755152690 1157961410 /nfs/dbraw/zinc/96/14/10/1157961410.db2.gz LFAWXEFHESRZEO-HNNXBMFYSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC001006446397 670415881 /nfs/dbraw/zinc/41/58/81/670415881.db2.gz YPJHRLOSWWWVFO-HNNXBMFYSA-N 2 0 321.465 0.635 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852360023 671122070 /nfs/dbraw/zinc/12/20/70/671122070.db2.gz SHTYVVSSWRDANB-INIZCTEOSA-N 2 0 322.453 0.494 20 30 DCEDRP CC(C)CCNC(=[NH2+])NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC000303891363 685208694 /nfs/dbraw/zinc/20/86/94/685208694.db2.gz NCPSTRIONPLGBA-UHFFFAOYSA-N 2 0 311.474 0.914 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCN1CCC[NH+](C)CC1 ZINC000303977474 685209668 /nfs/dbraw/zinc/20/96/68/685209668.db2.gz LDQPSKXMTBFCML-MRXNPFEDSA-N 3 0 324.517 0.403 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[S@@](=O)C(C)(C)C ZINC000304752764 685211619 /nfs/dbraw/zinc/21/16/19/685211619.db2.gz KOOFRNBAEAZTQZ-MPBGBICISA-N 2 0 302.488 0.922 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214154 687445212 /nfs/dbraw/zinc/44/52/12/687445212.db2.gz DUOTZGSFVHTMQR-CABCVRRESA-N 2 0 307.438 0.600 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958224180 687456306 /nfs/dbraw/zinc/45/63/06/687456306.db2.gz TXKKTMNSIHXAKJ-GOEBONIOSA-N 2 0 314.389 0.933 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374032 687597061 /nfs/dbraw/zinc/59/70/61/687597061.db2.gz LGZKCWMCRJEREZ-JKSUJKDBSA-N 2 0 309.454 0.703 20 30 DCEDRP C=CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958598071 687785661 /nfs/dbraw/zinc/78/56/61/687785661.db2.gz HOXOZEZNHNLCIY-WFASDCNBSA-N 2 0 304.394 0.356 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CC3CC3)C[C@@H]2O)CC1 ZINC000958724797 687877295 /nfs/dbraw/zinc/87/72/95/687877295.db2.gz STJVNLSQPMSUOF-IRXDYDNUSA-N 2 0 319.449 0.151 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000960345523 688354882 /nfs/dbraw/zinc/35/48/82/688354882.db2.gz JWVDGASPIMINHD-XWTMOSNGSA-N 2 0 324.428 0.726 20 30 DCEDRP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007991110 690783677 /nfs/dbraw/zinc/78/36/77/690783677.db2.gz RDKFUYNCBBHTBQ-DGNOSDGRSA-N 2 0 305.422 0.616 20 30 DCEDRP C=CC[N@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001008830445 690931876 /nfs/dbraw/zinc/93/18/76/690931876.db2.gz XRJCJGGDZSPUJS-HNNXBMFYSA-N 2 0 305.426 0.825 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](C)OC)C2)CC1 ZINC001016335601 692655382 /nfs/dbraw/zinc/65/53/82/692655382.db2.gz FEDPZPYGXBJKPW-ZBFHGGJFSA-N 2 0 307.438 0.557 20 30 DCEDRP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001077027987 695128382 /nfs/dbraw/zinc/12/83/82/695128382.db2.gz UOQJQZXWWPZBBF-ZJIFWQFVSA-N 2 0 309.454 0.844 20 30 DCEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001571436342 1162754036 /nfs/dbraw/zinc/75/40/36/1162754036.db2.gz YAWQVFZBWBOYSD-MRXNPFEDSA-N 2 0 317.433 0.494 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001571542378 1162801965 /nfs/dbraw/zinc/80/19/65/1162801965.db2.gz NPABWOYYGBXAGY-HZPDHXFCSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C(F)(F)F ZINC001571571483 1162815693 /nfs/dbraw/zinc/81/56/93/1162815693.db2.gz CPIPYAVNHZQNJQ-STQMWFEESA-N 2 0 317.355 0.942 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001571571482 1162816345 /nfs/dbraw/zinc/81/63/45/1162816345.db2.gz CPIPYAVNHZQNJQ-QWHCGFSZSA-N 2 0 317.355 0.942 20 30 DCEDRP CCC[N@@H+](CC#CCOC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001691196241 1157611092 /nfs/dbraw/zinc/61/10/92/1157611092.db2.gz IJPRMHRQSIRNQL-INIZCTEOSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CCCO)C2CC2)CC1 ZINC001691236623 1157617566 /nfs/dbraw/zinc/61/75/66/1157617566.db2.gz IOYOGCDKAKNXSL-UHFFFAOYSA-N 2 0 307.438 0.295 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001571664764 1162884162 /nfs/dbraw/zinc/88/41/62/1162884162.db2.gz VLKFLGJCPINEGW-XUJLQICISA-N 2 0 324.469 0.454 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001691730792 1158965289 /nfs/dbraw/zinc/96/52/89/1158965289.db2.gz MXSAIFYUDLRYTQ-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001566033332 1159949717 /nfs/dbraw/zinc/94/97/17/1159949717.db2.gz SGXAZMICRUDSGT-HNNXBMFYSA-N 2 0 309.454 0.942 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]C[C@@H](CC)OC)CC1 ZINC001567082720 1160233241 /nfs/dbraw/zinc/23/32/41/1160233241.db2.gz VEZULEJGNJALFG-GOEBONIOSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001567138701 1160254744 /nfs/dbraw/zinc/25/47/44/1160254744.db2.gz MDZNEXCVEQZWOC-HNNXBMFYSA-N 2 0 307.438 0.416 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001567138702 1160254955 /nfs/dbraw/zinc/25/49/55/1160254955.db2.gz MDZNEXCVEQZWOC-OAHLLOKOSA-N 2 0 307.438 0.416 20 30 DCEDRP COCC#CC[N@H+](CCNC(=O)C[NH+](C)C1CCC1)C1CC1 ZINC001567442969 1160369076 /nfs/dbraw/zinc/36/90/76/1160369076.db2.gz QTYBAFUDHZTGOT-UHFFFAOYSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CCN1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001567920664 1160536406 /nfs/dbraw/zinc/53/64/06/1160536406.db2.gz JFUKVIJEVHASGZ-INIZCTEOSA-N 2 0 307.438 0.511 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CCCC1 ZINC001568246482 1160612220 /nfs/dbraw/zinc/61/22/20/1160612220.db2.gz LRXWFRNHDZZYRZ-INIZCTEOSA-N 2 0 321.465 0.997 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[NH+]1CCCC1 ZINC001568338881 1160631929 /nfs/dbraw/zinc/63/19/29/1160631929.db2.gz JCPLSRDDAIYMCW-MRXNPFEDSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001568646155 1160721687 /nfs/dbraw/zinc/72/16/87/1160721687.db2.gz NNZIAWNTEINGEO-ZIAGYGMSSA-N 2 0 310.442 0.257 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CCOC(C)C)CC1 ZINC001569098873 1160941625 /nfs/dbraw/zinc/94/16/25/1160941625.db2.gz ICDUYRWHNCIINI-HNNXBMFYSA-N 2 0 309.454 0.851 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC#CCOC)CCC2)CC[N@@H+]1C ZINC001570105345 1161423245 /nfs/dbraw/zinc/42/32/45/1161423245.db2.gz RBNZQCUQPUCLHW-JKSUJKDBSA-N 2 0 321.465 0.995 20 30 DCEDRP CC[NH+]1CCN(CC(C)(C)NC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001577775712 1164789356 /nfs/dbraw/zinc/78/93/56/1164789356.db2.gz NKPXGTZHXWBJDO-AWEZNQCLSA-N 2 0 309.458 0.540 20 30 DCEDRP C[C@@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1C[NH3+] ZINC001579440206 1165310510 /nfs/dbraw/zinc/31/05/10/1165310510.db2.gz PTWWKIDIWJXMJF-ZIAGYGMSSA-N 2 0 311.385 0.813 20 30 DCEDRP N#CC1(C[C@H](O)C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)CCC1 ZINC001580038208 1165480948 /nfs/dbraw/zinc/48/09/48/1165480948.db2.gz HJHVXGYRJAHNOU-GJZGRUSLSA-N 2 0 318.425 0.819 20 30 DCEDRP C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC[C@@H]21 ZINC001646151431 1172275477 /nfs/dbraw/zinc/27/54/77/1172275477.db2.gz HILLAIXOYUASMG-QVCPJDEESA-N 2 0 302.422 0.678 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001671246720 1173261214 /nfs/dbraw/zinc/26/12/14/1173261214.db2.gz WRTCGDAETHZNPY-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP C[N@@H+]1C[C@@H]2CN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)C[C@]2(C)C1 ZINC001650413931 1173627957 /nfs/dbraw/zinc/62/79/57/1173627957.db2.gz FAEDFWXLFMZKPV-GMEKZAAPSA-N 2 0 302.422 0.536 20 30 DCEDRP C=CC[NH+]1CCN(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001660930962 1174071593 /nfs/dbraw/zinc/07/15/93/1174071593.db2.gz WTSYGFURHWPNKX-IRXDYDNUSA-N 2 0 320.481 0.923 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001662872421 1174249847 /nfs/dbraw/zinc/24/98/47/1174249847.db2.gz MQDHGGYZBAGHRZ-JKSUJKDBSA-N 2 0 307.438 0.511 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001666454017 1174604175 /nfs/dbraw/zinc/60/41/75/1174604175.db2.gz LJSCEZRBFSWWAR-UONOGXRCSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCOC)[C@H](C)C2)CC1 ZINC001667216358 1174669096 /nfs/dbraw/zinc/66/90/96/1174669096.db2.gz GUSPBXCOUAFQIO-WBVHZDCISA-N 2 0 321.465 0.805 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001667940272 1174736522 /nfs/dbraw/zinc/73/65/22/1174736522.db2.gz YLOJSNFOHQIWMF-JKSUJKDBSA-N 2 0 309.454 0.587 20 30 DCEDRP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001671810845 1175037954 /nfs/dbraw/zinc/03/79/54/1175037954.db2.gz TZTZQJOKVDSHIE-SJLPKXTDSA-N 2 0 321.465 0.806 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCOCC1 ZINC001671934805 1175046210 /nfs/dbraw/zinc/04/62/10/1175046210.db2.gz JGBBEXHMLGKDHB-UHFFFAOYSA-N 2 0 307.438 0.749 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001672663997 1175140233 /nfs/dbraw/zinc/14/02/33/1175140233.db2.gz DNAHNDZRNGFNTK-MRXNPFEDSA-N 2 0 309.454 0.542 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)c2ccn(CC[NH+](C)C)n2)CCC1 ZINC001673168178 1175176804 /nfs/dbraw/zinc/17/68/04/1175176804.db2.gz CKAOBIRGYXWZCR-UHFFFAOYSA-N 2 0 317.437 0.710 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCO1 ZINC001673288003 1175185379 /nfs/dbraw/zinc/18/53/79/1175185379.db2.gz CSCBNWCXGLLPOV-IAGOWNOFSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001673676656 1175222520 /nfs/dbraw/zinc/22/25/20/1175222520.db2.gz VDZMKWHUWOBVIT-INIZCTEOSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCOCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001675559973 1175372877 /nfs/dbraw/zinc/37/28/77/1175372877.db2.gz UVPKNCWTHPZCFC-FPCVCCKLSA-N 2 0 307.438 0.435 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]CC#CCOC)C1 ZINC001676966415 1175508107 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0.552 20 30 DCEDRP C=CCC[NH+]1CCN(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001690073092 1177163150 /nfs/dbraw/zinc/16/31/50/1177163150.db2.gz FTNCIAIRKWEMFV-KRWDZBQOSA-N 2 0 320.481 0.638 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)C[N@@H+](C)CCC)C2)C1=O ZINC001690255498 1177197781 /nfs/dbraw/zinc/19/77/81/1177197781.db2.gz PPNOQBVUHRQMTM-GJZGRUSLSA-N 2 0 322.453 0.306 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001690708042 1177308845 /nfs/dbraw/zinc/30/88/45/1177308845.db2.gz IKGLZBKTLNGNFP-BZUAXINKSA-N 2 0 307.438 0.415 20 30 DCEDRP CC#CC[NH2+][C@H](CC)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001698603992 1177578806 /nfs/dbraw/zinc/57/88/06/1177578806.db2.gz GFVFHQNWJSCCBM-OAHLLOKOSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@H]2CCCN2C(=O)CC[NH+](C)C)C1=O ZINC001698732529 1177623601 /nfs/dbraw/zinc/62/36/01/1177623601.db2.gz UUEHHPUNLBQKHS-HUUCEWRRSA-N 2 0 322.453 0.306 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001699419376 1178129910 /nfs/dbraw/zinc/12/99/10/1178129910.db2.gz YGCRTBDUUWVHOC-QWHCGFSZSA-N 2 0 310.442 0.113 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2cncn2C)CC1 ZINC001699433247 1178135567 /nfs/dbraw/zinc/13/55/67/1178135567.db2.gz OWGFFKLZYZWWCB-AWEZNQCLSA-N 2 0 317.437 0.360 20 30 DCEDRP C#CCC[NH+]1CCC[C@](CO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001700006992 1178425862 /nfs/dbraw/zinc/42/58/62/1178425862.db2.gz IAKHQWLBHWYHSY-WBVHZDCISA-N 2 0 307.438 0.295 20 30 DCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001700236830 1178546322 /nfs/dbraw/zinc/54/63/22/1178546322.db2.gz QZAMHXVIGXMMIG-GOSISDBHSA-N 2 0 321.465 0.992 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH2+]C[C@H](C)O)CC2)CC1 ZINC001700289370 1178566992 /nfs/dbraw/zinc/56/69/92/1178566992.db2.gz JPRCCBRNYRQPGL-HNNXBMFYSA-N 2 0 321.465 0.683 20 30 DCEDRP C=CC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001700337079 1178587151 /nfs/dbraw/zinc/58/71/51/1178587151.db2.gz XOCSAJUMERQJDL-OAHLLOKOSA-N 2 0 307.438 0.457 20 30 DCEDRP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](CC#C)CC1 ZINC001700364354 1178596255 /nfs/dbraw/zinc/59/62/55/1178596255.db2.gz KDYPPLZUSQCFQY-KRWDZBQOSA-N 2 0 301.434 0.888 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001700430963 1178615261 /nfs/dbraw/zinc/61/52/61/1178615261.db2.gz OSOPTXLLTVYDQB-HOTGVXAUSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001700610713 1178679185 /nfs/dbraw/zinc/67/91/85/1178679185.db2.gz NIUUYTSSYMJGOY-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001700963397 1178841022 /nfs/dbraw/zinc/84/10/22/1178841022.db2.gz CBVWZJVZADZXDD-HOTGVXAUSA-N 2 0 309.454 0.491 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001707254275 1180450308 /nfs/dbraw/zinc/45/03/08/1180450308.db2.gz AYBDYPMTXPPBNC-ZBFHGGJFSA-N 2 0 307.438 0.700 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001713120090 1180688581 /nfs/dbraw/zinc/68/85/81/1180688581.db2.gz BBJWRYGHTQAGOK-QGZVFWFLSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cn(C)nc1C ZINC001713602204 1180958341 /nfs/dbraw/zinc/95/83/41/1180958341.db2.gz UBOUPRUCROGJRS-INIZCTEOSA-N 2 0 317.437 0.374 20 30 DCEDRP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001714157332 1181267343 /nfs/dbraw/zinc/26/73/43/1181267343.db2.gz RUTSIOLGWBUMOE-CVEARBPZSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001714278653 1181305249 /nfs/dbraw/zinc/30/52/49/1181305249.db2.gz NEDHIGFESXBDKO-CABCVRRESA-N 2 0 322.453 0.093 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CCCOC)C2)CC1 ZINC001714647062 1181458424 /nfs/dbraw/zinc/45/84/24/1181458424.db2.gz CHUSGUUYWWUAOM-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001715598067 1181886348 /nfs/dbraw/zinc/88/63/48/1181886348.db2.gz JAPNHEUWQDPVEO-IRXDYDNUSA-N 2 0 321.465 0.874 20 30 DCEDRP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@@H]1CN(CC)CCO1 ZINC001715773558 1181988389 /nfs/dbraw/zinc/98/83/89/1181988389.db2.gz HHCSTBOKDJGUAE-ZDUSSCGKSA-N 2 0 303.834 0.898 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001716330249 1182338296 /nfs/dbraw/zinc/33/82/96/1182338296.db2.gz RTWVPTUSXFLXRC-QAMKJQMISA-N 2 0 308.426 0.033 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C)C1=O ZINC001716411890 1182379768 /nfs/dbraw/zinc/37/97/68/1182379768.db2.gz CAOUCCMQLZQXRR-MCIONIFRSA-N 2 0 310.442 0.208 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001716492125 1182411595 /nfs/dbraw/zinc/41/15/95/1182411595.db2.gz KHTFZTBHELEVDQ-JYJNAYRXSA-N 2 0 309.454 0.803 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001716559336 1182440782 /nfs/dbraw/zinc/44/07/82/1182440782.db2.gz HPPLTPRPMYOOPU-UHFFFAOYSA-N 2 0 322.453 0.048 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCOCC1 ZINC001716906417 1182563459 /nfs/dbraw/zinc/56/34/59/1182563459.db2.gz QYMQVQOAJIJSCJ-UHFFFAOYSA-N 2 0 307.438 0.607 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001716994297 1182614635 /nfs/dbraw/zinc/61/46/35/1182614635.db2.gz XRTRBYGINYIQHA-JKSUJKDBSA-N 2 0 319.449 0.416 20 30 DCEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001717202006 1182728740 /nfs/dbraw/zinc/72/87/40/1182728740.db2.gz MMGCJRHCGZDFSF-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)CC[C@H]2CCC[N@H+]2C)CCOCC1 ZINC001717264623 1182757320 /nfs/dbraw/zinc/75/73/20/1182757320.db2.gz KEFUSFQYEPUBIB-OAHLLOKOSA-N 2 0 307.438 0.749 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001717337488 1182789850 /nfs/dbraw/zinc/78/98/50/1182789850.db2.gz LCQBPAKUKPRBKN-KGLIPLIRSA-N 2 0 310.442 0.209 20 30 DCEDRP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001717695100 1182956497 /nfs/dbraw/zinc/95/64/97/1182956497.db2.gz AFWRGADCVNNKJP-JKSUJKDBSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001717793342 1183003824 /nfs/dbraw/zinc/00/38/24/1183003824.db2.gz ZUELJCYRUADOCM-LSDHHAIUSA-N 2 0 317.437 0.661 20 30 DCEDRP C#CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001724669464 1184508707 /nfs/dbraw/zinc/50/87/07/1184508707.db2.gz KSCVCHGNWWUWSY-KRWDZBQOSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001724901934 1184610252 /nfs/dbraw/zinc/61/02/52/1184610252.db2.gz GVUMCJXKCLGHIW-FUHWJXTLSA-N 2 0 319.449 0.295 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001724925033 1184623409 /nfs/dbraw/zinc/62/34/09/1184623409.db2.gz DKYZNUKUKSHKFJ-RRFJBIMHSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[N@H+](C)CC=C)CC1 ZINC001725724139 1184975823 /nfs/dbraw/zinc/97/58/23/1184975823.db2.gz NIJIINRIKDYXOS-MRXNPFEDSA-N 2 0 307.438 0.269 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001725754753 1184982872 /nfs/dbraw/zinc/98/28/72/1184982872.db2.gz IEHVFIPVWCNITH-LSDHHAIUSA-N 2 0 309.454 0.708 20 30 DCEDRP COCC#CC[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001725788472 1184994810 /nfs/dbraw/zinc/99/48/10/1184994810.db2.gz ZWISZBVTXMZNDP-UHFFFAOYSA-N 2 0 305.422 0.311 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001731508665 1185367416 /nfs/dbraw/zinc/36/74/16/1185367416.db2.gz OXUPUUJIVCPKNB-SJORKVTESA-N 2 0 321.465 0.806 20 30 DCEDRP C=CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001732058973 1185651617 /nfs/dbraw/zinc/65/16/17/1185651617.db2.gz DWKQYNBSRUEOCD-HOTGVXAUSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CCCC[NH+]1CC(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001732139098 1185694568 /nfs/dbraw/zinc/69/45/68/1185694568.db2.gz SHOMOHUAGBYEAY-OAHLLOKOSA-N 2 0 309.454 0.969 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001732175697 1185720385 /nfs/dbraw/zinc/72/03/85/1185720385.db2.gz KXSVUWBXZABZSC-JKSUJKDBSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CCNC(=O)CN1CC[C@@H](N(CC)C(=O)CC[N@H+](C)CC)C1 ZINC001732186295 1185728372 /nfs/dbraw/zinc/72/83/72/1185728372.db2.gz RYXYNWMAQGACPE-OAHLLOKOSA-N 2 0 322.453 0.000 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001732455095 1185823860 /nfs/dbraw/zinc/82/38/60/1185823860.db2.gz SOCPMUQMRHWLHC-UONOGXRCSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CC[N@H+]1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001733486233 1186293973 /nfs/dbraw/zinc/29/39/73/1186293973.db2.gz GJIYNONFPITBAV-SFHVURJKSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001733487381 1186295485 /nfs/dbraw/zinc/29/54/85/1186295485.db2.gz TZLUMSFSOBLPFS-QGZVFWFLSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CCCC[NH2+][C@@]1(CO)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001733826321 1186464286 /nfs/dbraw/zinc/46/42/86/1186464286.db2.gz HHPDKIPEHIIDPP-KRWDZBQOSA-N 2 0 309.454 0.992 20 30 DCEDRP CC#CC[NH+]1CCC(CO)(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001733919193 1186497800 /nfs/dbraw/zinc/49/78/00/1186497800.db2.gz VXFDXWKMUWDHNS-OAHLLOKOSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001733982040 1186514463 /nfs/dbraw/zinc/51/44/63/1186514463.db2.gz CBNACOHSTYIAQW-KGLIPLIRSA-N 2 0 322.453 0.093 20 30 DCEDRP CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001734184158 1186572722 /nfs/dbraw/zinc/57/27/22/1186572722.db2.gz RCLXXMVCASQYPO-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[N@@H+]1CCCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001734196599 1186576100 /nfs/dbraw/zinc/57/61/00/1186576100.db2.gz CGOKMFMFGBVCQV-UHFFFAOYSA-N 2 0 321.465 0.902 20 30 DCEDRP C#CC[N@H+](C)CCOCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001734276438 1186601070 /nfs/dbraw/zinc/60/10/70/1186601070.db2.gz AKZFBGZWUCOOTL-UHFFFAOYSA-N 2 0 314.389 0.954 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001750935372 1188359683 /nfs/dbraw/zinc/35/96/83/1188359683.db2.gz XMYYNNHOQZLJAY-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001752633446 1188430577 /nfs/dbraw/zinc/43/05/77/1188430577.db2.gz VHSBMHWNRNTASA-AIEDFZFUSA-N 2 0 322.453 0.254 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001753218793 1188538458 /nfs/dbraw/zinc/53/84/58/1188538458.db2.gz BANBTLIZRPSMLO-AWEZNQCLSA-N 2 0 324.469 0.600 20 30 DCEDRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]CC#CCOC)C1 ZINC001753222839 1188540087 /nfs/dbraw/zinc/54/00/87/1188540087.db2.gz PHJQFKPZPKFHSD-INIZCTEOSA-N 2 0 309.454 0.806 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC#CCOC ZINC001753729230 1188648201 /nfs/dbraw/zinc/64/82/01/1188648201.db2.gz IVFYFRFXNUJCMR-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+][C@H](C)COC)CC1 ZINC001754210131 1188788115 /nfs/dbraw/zinc/78/81/15/1188788115.db2.gz RFHPTWHIMPPHAW-LLYBFZRZSA-N 2 0 307.438 0.629 20 30 DCEDRP CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CC#CCOC ZINC001754467240 1188858529 /nfs/dbraw/zinc/85/85/29/1188858529.db2.gz CSCDGZUTHWDVLA-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001754909619 1188971623 /nfs/dbraw/zinc/97/16/23/1188971623.db2.gz ZIIVDVWZHVAXLN-GJZGRUSLSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001755090579 1189019671 /nfs/dbraw/zinc/01/96/71/1189019671.db2.gz BPSQMEKSGLRGNW-DLBZAZTESA-N 2 0 307.438 0.601 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]C[C@H](F)CC)CC1 ZINC001755646901 1189173924 /nfs/dbraw/zinc/17/39/24/1189173924.db2.gz DBXAMDIFSAQDKK-CABCVRRESA-N 2 0 313.417 0.146 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]C[C@H](F)CC)CC1 ZINC001755646903 1189174226 /nfs/dbraw/zinc/17/42/26/1189174226.db2.gz DBXAMDIFSAQDKK-HUUCEWRRSA-N 2 0 313.417 0.146 20 30 DCEDRP C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001755679021 1189182652 /nfs/dbraw/zinc/18/26/52/1189182652.db2.gz RGFYDRUKTDCGTO-HUUCEWRRSA-N 2 0 317.437 0.661 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001755682424 1189183752 /nfs/dbraw/zinc/18/37/52/1189183752.db2.gz SIQPQYZTEIAORD-UONOGXRCSA-N 2 0 322.453 0.209 20 30 DCEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001755783251 1189210801 /nfs/dbraw/zinc/21/08/01/1189210801.db2.gz NNVZJAVQHQNEJV-AWEZNQCLSA-N 2 0 315.377 0.476 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001167626697 747436476 /nfs/dbraw/zinc/43/64/76/747436476.db2.gz FTOOLBKIJMAIQH-HNNXBMFYSA-N 2 0 322.453 0.095 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001098572449 747446828 /nfs/dbraw/zinc/44/68/28/747446828.db2.gz IHWIKZLEHSWNPQ-UHFFFAOYSA-N 2 0 309.454 0.635 20 30 DCEDRP C=CC[N@@H+](CCO)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001098462197 761961096 /nfs/dbraw/zinc/96/10/96/761961096.db2.gz HFHIAZSOSXQDBR-UHFFFAOYSA-N 2 0 309.454 0.800 20 30 DCEDRP COCC#CC[NH2+]CC1(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001168345555 749926380 /nfs/dbraw/zinc/92/63/80/749926380.db2.gz QFURBCSIXKIEEF-UHFFFAOYSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]C[C@@H](C)OC)C2)CC1 ZINC001101024862 749955898 /nfs/dbraw/zinc/95/58/98/749955898.db2.gz JNNZGSYDUKRLKJ-HPUBIQBYSA-N 2 0 321.465 0.851 20 30 DCEDRP C#CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083525074 750098125 /nfs/dbraw/zinc/09/81/25/750098125.db2.gz YANSMKSUPQNZNP-PMPSAXMXSA-N 2 0 305.422 0.188 20 30 DCEDRP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001077276287 750312138 /nfs/dbraw/zinc/31/21/38/750312138.db2.gz WCBNFTGDKKXCQM-HZPDHXFCSA-N 2 0 314.389 0.994 20 30 DCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001121916481 750942497 /nfs/dbraw/zinc/94/24/97/750942497.db2.gz AEUFMEGCHXWJKZ-HNNXBMFYSA-N 2 0 322.453 0.437 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106633627 751209362 /nfs/dbraw/zinc/20/93/62/751209362.db2.gz QFMSWEWMNKGEQR-BRWVUGGUSA-N 2 0 323.481 0.907 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001106681044 751227822 /nfs/dbraw/zinc/22/78/22/751227822.db2.gz SBLIHFICAPBKTP-BRWVUGGUSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C12CCC2 ZINC001203557944 752691116 /nfs/dbraw/zinc/69/11/16/752691116.db2.gz SKGJBXOTWZBZDQ-HOTGVXAUSA-N 2 0 319.449 0.747 20 30 DCEDRP C#CCCN1CCO[C@@](C)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001107997116 752851886 /nfs/dbraw/zinc/85/18/86/752851886.db2.gz QKSGMOGCQVEYHZ-KRWDZBQOSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001045663976 753285210 /nfs/dbraw/zinc/28/52/10/753285210.db2.gz UDBBKXKBQMVJPH-JKSUJKDBSA-N 2 0 319.449 0.701 20 30 DCEDRP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)C12CCC2 ZINC001078818918 753393177 /nfs/dbraw/zinc/39/31/77/753393177.db2.gz FOMOKXFJSNBUAQ-IAGOWNOFSA-N 2 0 313.445 0.982 20 30 DCEDRP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001047386014 754234520 /nfs/dbraw/zinc/23/45/20/754234520.db2.gz JGAMKYDZTVKCGF-WCVJEAGWSA-N 2 0 309.454 0.796 20 30 DCEDRP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001047638128 754452633 /nfs/dbraw/zinc/45/26/33/754452633.db2.gz CNYOOQHKTOPUFQ-PMPSAXMXSA-N 2 0 309.454 0.940 20 30 DCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048831706 754966988 /nfs/dbraw/zinc/96/69/88/754966988.db2.gz AEIYRXXNVKQNIX-VVLHAWIVSA-N 2 0 317.433 0.263 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](OC)C1 ZINC001081948198 756875468 /nfs/dbraw/zinc/87/54/68/756875468.db2.gz NSDDXWKYRRHYJV-HZPDHXFCSA-N 2 0 312.373 0.787 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001082137985 756935401 /nfs/dbraw/zinc/93/54/01/756935401.db2.gz KIAPJLADZRFYME-HUUCEWRRSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001051995963 759098500 /nfs/dbraw/zinc/09/85/00/759098500.db2.gz HRBIEZHPFDZPTQ-IRXDYDNUSA-N 2 0 318.465 0.322 20 30 DCEDRP C=CCC[NH+]1CCN([C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001052118796 759192199 /nfs/dbraw/zinc/19/21/99/759192199.db2.gz XUYJHFLJYHPFKC-QGZVFWFLSA-N 2 0 320.481 0.877 20 30 DCEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085732056 759244824 /nfs/dbraw/zinc/24/48/24/759244824.db2.gz QGHVZEVAYTYTPP-GARNVTTQSA-N 2 0 319.449 0.958 20 30 DCEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085732057 759245746 /nfs/dbraw/zinc/24/57/46/759245746.db2.gz QGHVZEVAYTYTPP-LPMVOBIJSA-N 2 0 319.449 0.958 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169799644 760848387 /nfs/dbraw/zinc/84/83/87/760848387.db2.gz WPNQRUGLUOTVKH-GJZGRUSLSA-N 2 0 324.469 0.647 20 30 DCEDRP COCC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001108756499 761036521 /nfs/dbraw/zinc/03/65/21/761036521.db2.gz LSIJRZGOCJDJLC-XHSDSOJGSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCCC1)C2 ZINC001108821720 761071589 /nfs/dbraw/zinc/07/15/89/761071589.db2.gz RWFRWPQXLYEERO-BBWFWOEESA-N 2 0 319.449 0.701 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001070274214 761160198 /nfs/dbraw/zinc/16/01/98/761160198.db2.gz XHZUMFLACDHJDG-ZNMIVQPWSA-N 2 0 318.425 0.290 20 30 DCEDRP C#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001070400524 761213097 /nfs/dbraw/zinc/21/30/97/761213097.db2.gz ZZECDKVDFHPQQN-DZGCQCFKSA-N 2 0 315.421 0.543 20 30 DCEDRP C=CCOCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100131769 761517880 /nfs/dbraw/zinc/51/78/80/761517880.db2.gz ILDRZEKDAKSOGL-HUUCEWRRSA-N 2 0 313.442 0.081 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001123694272 768044959 /nfs/dbraw/zinc/04/49/59/768044959.db2.gz JCBPQDGGQBUXDC-GOEBONIOSA-N 2 0 321.469 0.018 20 30 DCEDRP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001114290119 762922311 /nfs/dbraw/zinc/92/23/11/762922311.db2.gz BHSDIFYKXCNUEK-NCOADZHNSA-N 2 0 319.449 0.577 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129421663 762933318 /nfs/dbraw/zinc/93/33/18/762933318.db2.gz BKWWVCHIGAABIM-HUUCEWRRSA-N 2 0 324.469 0.646 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](O)C1 ZINC001099899599 763108442 /nfs/dbraw/zinc/10/84/42/763108442.db2.gz VQWQFMLGFYZISQ-HZPDHXFCSA-N 2 0 318.421 0.645 20 30 DCEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130107384 763127646 /nfs/dbraw/zinc/12/76/46/763127646.db2.gz NRMVUTZMBJIYAT-CABCVRRESA-N 2 0 320.441 0.538 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1cnn(C)c1 ZINC001087009615 768117739 /nfs/dbraw/zinc/11/77/39/768117739.db2.gz POVQGCHRKGXJTO-CWRNSKLLSA-N 2 0 317.437 0.442 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001100343366 763507253 /nfs/dbraw/zinc/50/72/53/763507253.db2.gz CISSJILSDMHRNV-XSCHDIRWSA-N 2 0 322.453 0.113 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001100406009 763556045 /nfs/dbraw/zinc/55/60/45/763556045.db2.gz XKLBFZVKNLQROT-UHFFFAOYSA-N 2 0 322.453 0.257 20 30 DCEDRP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101819668 764349615 /nfs/dbraw/zinc/34/96/15/764349615.db2.gz PSQASEYKCFMECI-KFWWJZLASA-N 2 0 322.453 0.067 20 30 DCEDRP C#CC[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](CC#C)CC3)C[C@]2(C)C1 ZINC001092300553 768260749 /nfs/dbraw/zinc/26/07/49/768260749.db2.gz ZCYNEEAYAKKHFU-MJGOQNOKSA-N 2 0 313.445 0.745 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133870599 765185454 /nfs/dbraw/zinc/18/54/54/765185454.db2.gz UUDVVBDASLFBNI-HUUCEWRRSA-N 2 0 324.469 0.315 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112193031 765471411 /nfs/dbraw/zinc/47/14/11/765471411.db2.gz GZPWSJVHVZAGLS-VXGBXAGGSA-N 2 0 323.359 0.730 20 30 DCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CC[NH+](C)CC1 ZINC001115039631 765560051 /nfs/dbraw/zinc/56/00/51/765560051.db2.gz YEMMXEAHJQJSMA-QLPKVWCKSA-N 2 0 305.422 0.167 20 30 DCEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001115245007 765660180 /nfs/dbraw/zinc/66/01/80/765660180.db2.gz JSIZRZLETNTYQL-MWDXBVQZSA-N 2 0 321.465 0.967 20 30 DCEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001115245008 765660296 /nfs/dbraw/zinc/66/02/96/765660296.db2.gz JSIZRZLETNTYQL-NCOADZHNSA-N 2 0 321.465 0.967 20 30 DCEDRP COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939116 766178441 /nfs/dbraw/zinc/17/84/41/766178441.db2.gz UNPDMRZYBGGVTE-HUUCEWRRSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC001119765113 766803584 /nfs/dbraw/zinc/80/35/84/766803584.db2.gz GHZHHACHZMWJEP-UHFFFAOYSA-N 2 0 318.425 0.664 20 30 DCEDRP N#CCOc1ccc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)cc1 ZINC001151115568 769265490 /nfs/dbraw/zinc/26/54/90/769265490.db2.gz YFCZXBWSPDAGGS-UHFFFAOYSA-N 2 0 316.405 0.891 20 30 DCEDRP C#CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001151307639 769308187 /nfs/dbraw/zinc/30/81/87/769308187.db2.gz BPDCYKZLZQIQEU-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH+]1CCC(CCOC)(NC(=O)CC[NH+](C)C)CC1 ZINC001151307913 769308720 /nfs/dbraw/zinc/30/87/20/769308720.db2.gz FICPAYWRZHXGPZ-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cnc(C)nc2)CC1 ZINC001152324433 769528184 /nfs/dbraw/zinc/52/81/84/769528184.db2.gz UYHLNSDHUMBHGA-UHFFFAOYSA-N 2 0 315.421 0.336 20 30 DCEDRP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153387713 769804204 /nfs/dbraw/zinc/80/42/04/769804204.db2.gz KRBSTBZAJGLYCW-WBVHZDCISA-N 2 0 321.465 0.805 20 30 DCEDRP N#Cc1cc(F)ccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235868961 769952596 /nfs/dbraw/zinc/95/25/96/769952596.db2.gz DDOXEZSHSHPKOA-UHFFFAOYSA-N 2 0 305.401 0.282 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176565504 770127620 /nfs/dbraw/zinc/12/76/20/770127620.db2.gz VYEXSOHNNBCDDW-LSDHHAIUSA-N 2 0 324.469 0.505 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155822543 770631728 /nfs/dbraw/zinc/63/17/28/770631728.db2.gz UFHBVXVEXQJPSL-HNNXBMFYSA-N 2 0 322.453 0.377 20 30 DCEDRP N#Cc1c2c(cnc1N(c1ncccn1)C1C[NH2+]C1)C[NH2+]CCC2 ZINC001155861404 770642067 /nfs/dbraw/zinc/64/20/67/770642067.db2.gz CQKFYJUYYJIOFX-UHFFFAOYSA-N 2 0 321.388 0.889 20 30 DCEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001178536253 770783753 /nfs/dbraw/zinc/78/37/53/770783753.db2.gz SKSKWPOKLUDUPQ-HOTGVXAUSA-N 2 0 307.438 0.749 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001180260044 771087291 /nfs/dbraw/zinc/08/72/91/771087291.db2.gz RFFQRQBYNJJSFZ-OAHLLOKOSA-N 2 0 324.469 0.507 20 30 DCEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC[NH+](CCC(C)(C)O)CC1 ZINC001183045092 771596831 /nfs/dbraw/zinc/59/68/31/771596831.db2.gz SZERJOUWMPVDGR-UHFFFAOYSA-N 2 0 309.454 0.944 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001183867639 771717022 /nfs/dbraw/zinc/71/70/22/771717022.db2.gz HIYYWOHXETWBDL-IAGOWNOFSA-N 2 0 321.465 0.947 20 30 DCEDRP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158421976 771772034 /nfs/dbraw/zinc/77/20/34/771772034.db2.gz HFFIYOZTXPEWJC-QZWWFDLISA-N 2 0 310.401 0.824 20 30 DCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001184423888 771787336 /nfs/dbraw/zinc/78/73/36/771787336.db2.gz FRFKFPBPNFZMQU-GYMHETDLSA-N 2 0 303.406 0.063 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001184559981 771799187 /nfs/dbraw/zinc/79/91/87/771799187.db2.gz PGWLPBXEQFSOOO-IAGOWNOFSA-N 2 0 319.449 0.701 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001185679258 771947491 /nfs/dbraw/zinc/94/74/91/771947491.db2.gz BCLDZPDEESKTHJ-IRXDYDNUSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC12CCOCC2 ZINC001186553961 772053705 /nfs/dbraw/zinc/05/37/05/772053705.db2.gz YUTPAHRRRUBNIN-HZPDHXFCSA-N 2 0 319.449 0.416 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2CCCC[N@H+]2C)C1=O ZINC001161042080 772157552 /nfs/dbraw/zinc/15/75/52/772157552.db2.gz NTUPPWLMPRRVCC-LSDHHAIUSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)CCC)C2)C1=O ZINC001187322638 772165688 /nfs/dbraw/zinc/16/56/88/772165688.db2.gz PPNOQBVUHRQMTM-HUUCEWRRSA-N 2 0 322.453 0.306 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)(COC)CC1 ZINC001162481798 772379013 /nfs/dbraw/zinc/37/90/13/772379013.db2.gz FTWCOMRKJVZNHD-JKSUJKDBSA-N 2 0 321.465 0.662 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC#CCOC)C[C@H]21 ZINC001189659496 772515071 /nfs/dbraw/zinc/51/50/71/772515071.db2.gz BJAVKJWHKBRPKP-JKSUJKDBSA-N 2 0 307.438 0.511 20 30 DCEDRP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190167797 772600813 /nfs/dbraw/zinc/60/08/13/772600813.db2.gz KOUIWKRKQWZUOB-JKSUJKDBSA-N 2 0 307.438 0.818 20 30 DCEDRP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001164597180 772686685 /nfs/dbraw/zinc/68/66/85/772686685.db2.gz XWEAFEORRFGCNY-GJZGRUSLSA-N 2 0 305.422 0.359 20 30 DCEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001164596809 772686881 /nfs/dbraw/zinc/68/68/81/772686881.db2.gz SHJPGVRUEXFBNR-JKSUJKDBSA-N 2 0 319.449 0.749 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)CCc2nccn2C)C1 ZINC001191478454 772771447 /nfs/dbraw/zinc/77/14/47/772771447.db2.gz IRUVKCQIWHZQOC-HNNXBMFYSA-N 2 0 318.421 0.535 20 30 DCEDRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001166961576 772890046 /nfs/dbraw/zinc/89/00/46/772890046.db2.gz NMXPAJQTHZFZCV-RISCZKNCSA-N 2 0 315.377 0.068 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203349368 772905077 /nfs/dbraw/zinc/90/50/77/772905077.db2.gz IHMQOLUCIFZMTE-KGLIPLIRSA-N 2 0 322.453 0.257 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001192353092 772909462 /nfs/dbraw/zinc/90/94/62/772909462.db2.gz ADGYYJAUCOVMNQ-HZPDHXFCSA-N 2 0 307.438 0.511 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001192378703 772911570 /nfs/dbraw/zinc/91/15/70/772911570.db2.gz XESZDAGYFBZXFW-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001193641973 773093832 /nfs/dbraw/zinc/09/38/32/773093832.db2.gz JZAGVIUHQWXJOB-CABCVRRESA-N 2 0 324.469 0.552 20 30 DCEDRP COCC#CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001206928885 773137585 /nfs/dbraw/zinc/13/75/85/773137585.db2.gz MHXVLTIKMWKWKX-INIZCTEOSA-N 2 0 307.438 0.416 20 30 DCEDRP COCC#CC[NH2+]CC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001206953307 773147290 /nfs/dbraw/zinc/14/72/90/773147290.db2.gz ASZHEHDANJYBMM-UHFFFAOYSA-N 2 0 309.454 0.805 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289773 773177908 /nfs/dbraw/zinc/17/79/08/773177908.db2.gz ORXCXFBPQXUQHO-HZPDHXFCSA-N 2 0 318.421 0.645 20 30 DCEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195828118 773489434 /nfs/dbraw/zinc/48/94/34/773489434.db2.gz FLYLLBIHKSEDHR-FVQBIDKESA-N 2 0 309.454 0.844 20 30 DCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001208639388 773508994 /nfs/dbraw/zinc/50/89/94/773508994.db2.gz QHUWJSBFSJFFHI-BNQMIIOLSA-N 2 0 317.433 0.454 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001209251331 773574765 /nfs/dbraw/zinc/57/47/65/773574765.db2.gz NVYRBUSTZCDNNO-ULQDDVLXSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001210277585 773694019 /nfs/dbraw/zinc/69/40/19/773694019.db2.gz VKWLKGHOVCOICQ-BZUAXINKSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210340134 773700115 /nfs/dbraw/zinc/70/01/15/773700115.db2.gz ULSNEVIOMOOTAY-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCNC(=O)CN1CCCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001197172629 773710432 /nfs/dbraw/zinc/71/04/32/773710432.db2.gz OYZZIPLCIVBDEN-AWEZNQCLSA-N 2 0 310.442 0.163 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210750635 773734290 /nfs/dbraw/zinc/73/42/90/773734290.db2.gz GHGNEBKQJRFMCJ-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001214861197 774019186 /nfs/dbraw/zinc/01/91/86/774019186.db2.gz KMISCQDHHDWVSS-UKRRQHHQSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)COC)C2)CC1 ZINC001216843169 774142190 /nfs/dbraw/zinc/14/21/90/774142190.db2.gz ZTIQVCSEDLEOTK-BFYDXBDKSA-N 2 0 321.465 0.803 20 30 DCEDRP C=C1CC[NH2+]C[C@H]1Oc1cc(C[C@H]([NH3+])C(=O)N(C)C)ccc1O ZINC001218211035 774216600 /nfs/dbraw/zinc/21/66/00/774216600.db2.gz PBQYXVZGBLZVMX-XJKSGUPXSA-N 2 0 319.405 0.647 20 30 DCEDRP N#Cc1c(NC(=O)C[C@@H]([NH3+])CCC(N)=O)sc2c1CC[NH2+]C2 ZINC001218552262 774245152 /nfs/dbraw/zinc/24/51/52/774245152.db2.gz DDGKXRSKTHPXAN-QMMMGPOBSA-N 2 0 321.406 0.187 20 30 DCEDRP N#Cc1nc2ccc(NC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)cc2s1 ZINC001218910254 774324413 /nfs/dbraw/zinc/32/44/13/774324413.db2.gz GYLCSZJTPLRDSD-SNVBAGLBSA-N 2 0 313.386 0.915 20 30 DCEDRP COc1cccc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1C#N ZINC001218979201 774340240 /nfs/dbraw/zinc/34/02/40/774340240.db2.gz ZGVSOHLAPOQXMW-ZDUSSCGKSA-N 2 0 317.393 0.256 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200528479 774362765 /nfs/dbraw/zinc/36/27/65/774362765.db2.gz LPWXTKHZDWOIPZ-CVEARBPZSA-N 2 0 305.422 0.169 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCO1 ZINC001200553921 774363372 /nfs/dbraw/zinc/36/33/72/774363372.db2.gz CDWJNKKWAJBTPC-YESZJQIVSA-N 2 0 321.465 0.947 20 30 DCEDRP Cc1cc(C#N)c(F)cc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219112615 774374917 /nfs/dbraw/zinc/37/49/17/774374917.db2.gz OETTXKBJAKBFGH-CQSZACIVSA-N 2 0 319.384 0.695 20 30 DCEDRP COc1cc(C#N)c(F)cc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001219109817 774375095 /nfs/dbraw/zinc/37/50/95/774375095.db2.gz CIIHNJNJCRTKAY-AWEZNQCLSA-N 2 0 306.341 0.971 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200687631 774390330 /nfs/dbraw/zinc/39/03/30/774390330.db2.gz DOTTVWDBVFTBKM-JKSUJKDBSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CCCO1 ZINC001201226472 774467127 /nfs/dbraw/zinc/46/71/27/774467127.db2.gz YMSDMELSVBMGEC-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001201702128 774541924 /nfs/dbraw/zinc/54/19/24/774541924.db2.gz WIPFSHODAXNWFR-HQVVEAJESA-N 2 0 317.433 0.454 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202060217 774596467 /nfs/dbraw/zinc/59/64/67/774596467.db2.gz VLZMOBXXMKPFEW-KGLIPLIRSA-N 2 0 315.845 0.898 20 30 DCEDRP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219801994 774614070 /nfs/dbraw/zinc/61/40/70/774614070.db2.gz BZXFTZDIXIJVRZ-ZNMIVQPWSA-N 2 0 309.454 0.987 20 30 DCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847668 774627178 /nfs/dbraw/zinc/62/71/78/774627178.db2.gz OKDPWYRJROWCSU-YHUYYLMFSA-N 2 0 314.389 0.064 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001202531694 774886186 /nfs/dbraw/zinc/88/61/86/774886186.db2.gz LDAYRBUIGQHSTL-AWEZNQCLSA-N 2 0 310.442 0.209 20 30 DCEDRP N#Cc1ccccc1OCCCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220685375 774891553 /nfs/dbraw/zinc/89/15/53/774891553.db2.gz VKNUHJGQLCZPED-AWEZNQCLSA-N 2 0 314.389 0.252 20 30 DCEDRP COCC#CC[NH+]1CCC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001224558095 775582781 /nfs/dbraw/zinc/58/27/81/775582781.db2.gz ACZBPBGXQVAZAE-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001225379034 775673324 /nfs/dbraw/zinc/67/33/24/775673324.db2.gz WCDQZFUVQLNZKM-RBSFLKMASA-N 2 0 322.453 0.400 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001227961383 776031094 /nfs/dbraw/zinc/03/10/94/776031094.db2.gz VJGVLCPGSRXLIH-UKRRQHHQSA-N 2 0 324.469 0.598 20 30 DCEDRP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+](CC#CCOC)CC1 ZINC001228053315 776041170 /nfs/dbraw/zinc/04/11/70/776041170.db2.gz DCHITPXVBIOOQE-UHFFFAOYSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001114852216 776254913 /nfs/dbraw/zinc/25/49/13/776254913.db2.gz OLZQJDIEGPWSNP-AIANPOQGSA-N 2 0 307.438 0.720 20 30 DCEDRP C#CCN1C[C@@]2(CC[N@@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001273039827 945213692 /nfs/dbraw/zinc/21/36/92/945213692.db2.gz WLSJNMHBIPNQDN-SFHVURJKSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CC[NH2+]C1CCN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001279453686 939176352 /nfs/dbraw/zinc/17/63/52/939176352.db2.gz MMRXTTCMWANICR-MRXNPFEDSA-N 2 0 308.470 0.376 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001267071868 939331551 /nfs/dbraw/zinc/33/15/51/939331551.db2.gz YAROONVYSPQNBL-CQSZACIVSA-N 2 0 310.442 0.067 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001267201360 939383968 /nfs/dbraw/zinc/38/39/68/939383968.db2.gz MUZOBSIUENZCTM-CQSZACIVSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCCOC)CC1 ZINC001267281067 939413555 /nfs/dbraw/zinc/41/35/55/939413555.db2.gz FTUADNWVCGHYNC-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267562002 939500661 /nfs/dbraw/zinc/50/06/61/939500661.db2.gz IINZHPPPOHSBDX-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCNC(=O)[C@H](C)N1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001267634204 939604377 /nfs/dbraw/zinc/60/43/77/939604377.db2.gz KXWLLYNYOKKCNV-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001267965869 939715044 /nfs/dbraw/zinc/71/50/44/939715044.db2.gz DNBXKNHRDZWASH-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268085976 939931684 /nfs/dbraw/zinc/93/16/84/939931684.db2.gz LABFDXVCAOHQQF-UONOGXRCSA-N 2 0 310.442 0.067 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268116715 939950692 /nfs/dbraw/zinc/95/06/92/939950692.db2.gz TWUVEKCKAQJIQI-JKSUJKDBSA-N 2 0 309.454 0.708 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCO)CC1 ZINC001268293378 940026622 /nfs/dbraw/zinc/02/66/22/940026622.db2.gz BKWKFKUHRAATBP-CVEARBPZSA-N 2 0 307.438 0.198 20 30 DCEDRP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001481781906 940134679 /nfs/dbraw/zinc/13/46/79/940134679.db2.gz JGKBQSJLGVKIPD-MRXNPFEDSA-N 2 0 309.454 0.899 20 30 DCEDRP C=C(C[NH+]1CCCCC1)C(=O)N1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001273146801 945337877 /nfs/dbraw/zinc/33/78/77/945337877.db2.gz RZBIMILJLQMYRA-UHFFFAOYSA-N 2 0 320.481 0.734 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+][C@H](CC)C(N)=O)CC1 ZINC001269514700 940722858 /nfs/dbraw/zinc/72/28/58/940722858.db2.gz AJFGMVAOLHTNRZ-HUUCEWRRSA-N 2 0 322.453 0.080 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001270165806 940847800 /nfs/dbraw/zinc/84/78/00/940847800.db2.gz QNKOGLVCLFCUHT-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](CC#C)CC1 ZINC001270338604 940882732 /nfs/dbraw/zinc/88/27/32/940882732.db2.gz KYHMLHAWRIMHQR-UHFFFAOYSA-N 2 0 301.434 0.888 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001271128647 941278415 /nfs/dbraw/zinc/27/84/15/941278415.db2.gz GPCJIOUTWBYCCR-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001271428450 941373099 /nfs/dbraw/zinc/37/30/99/941373099.db2.gz WDFIUDWEFGCPJQ-KBPBESRZSA-N 2 0 310.442 0.067 20 30 DCEDRP CC#CC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001482847175 941688605 /nfs/dbraw/zinc/68/86/05/941688605.db2.gz PZANDRLXWIBYNT-OAHLLOKOSA-N 2 0 309.454 0.853 20 30 DCEDRP CC#CC[NH2+]C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C1CC1 ZINC001483560421 942418261 /nfs/dbraw/zinc/41/82/61/942418261.db2.gz FEOAQNHXFOFIHF-INIZCTEOSA-N 2 0 317.437 0.566 20 30 DCEDRP COCC#CCN1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483650675 942624547 /nfs/dbraw/zinc/62/45/47/942624547.db2.gz HSWRQXQZDFQGLZ-HZPDHXFCSA-N 2 0 305.422 0.169 20 30 DCEDRP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001272615408 942869428 /nfs/dbraw/zinc/86/94/28/942869428.db2.gz BSEBQOMVBOEHML-INIZCTEOSA-N 2 0 319.449 0.560 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+]CCCO)C2)CC1 ZINC001272653863 942890911 /nfs/dbraw/zinc/89/09/11/942890911.db2.gz UBJNXXCXJSFCMX-MRXNPFEDSA-N 2 0 321.465 0.542 20 30 DCEDRP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001484025261 943088013 /nfs/dbraw/zinc/08/80/13/943088013.db2.gz IOGFGXZUSXJBJB-MRXNPFEDSA-N 2 0 306.454 0.178 20 30 DCEDRP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001484246928 943255400 /nfs/dbraw/zinc/25/54/00/943255400.db2.gz ANWBBWFDCRDMLL-ROUUACIJSA-N 2 0 321.465 0.992 20 30 DCEDRP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)CCCn2ccnc2)C1 ZINC001484449476 943392386 /nfs/dbraw/zinc/39/23/86/943392386.db2.gz FPDKIYBNNMAIEN-KRWDZBQOSA-N 2 0 318.421 0.630 20 30 DCEDRP C#CCNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001484754384 943560127 /nfs/dbraw/zinc/56/01/27/943560127.db2.gz CZJJVRLDAKHFBB-HNNXBMFYSA-N 2 0 322.453 0.000 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001485644142 944060855 /nfs/dbraw/zinc/06/08/55/944060855.db2.gz OHPONEFKIYZYFU-HOCLYGCPSA-N 2 0 307.438 0.557 20 30 DCEDRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC#Cc2ccccc2)C1 ZINC001486060875 944521179 /nfs/dbraw/zinc/52/11/79/944521179.db2.gz CLHPKRJOWIHVGT-IRXDYDNUSA-N 2 0 315.417 0.057 20 30 DCEDRP CC#CCN1CC[NH+](CCCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001316961488 944687095 /nfs/dbraw/zinc/68/70/95/944687095.db2.gz LPMYGTMMMXEYSV-QGZVFWFLSA-N 2 0 320.481 0.475 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001317127991 944811304 /nfs/dbraw/zinc/81/13/04/944811304.db2.gz LQBQFXBVGZDVQD-IYBDPMFKSA-N 2 0 307.438 0.749 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001281459097 944814412 /nfs/dbraw/zinc/81/44/12/944814412.db2.gz SYZGEWNGVHSJOH-KGLIPLIRSA-N 2 0 310.442 0.067 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001317280688 944896550 /nfs/dbraw/zinc/89/65/50/944896550.db2.gz MOMATFZSSXGLSY-GJZGRUSLSA-N 2 0 324.469 0.503 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001317381549 944947633 /nfs/dbraw/zinc/94/76/33/944947633.db2.gz MDOKITYRAPYJGJ-MRXNPFEDSA-N 2 0 319.449 0.655 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001277819715 944992496 /nfs/dbraw/zinc/99/24/96/944992496.db2.gz QAPWMTLLLKIJOV-JKSUJKDBSA-N 2 0 309.454 0.946 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001319118721 945499454 /nfs/dbraw/zinc/49/94/54/945499454.db2.gz LTDDHIYFWPFWKH-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001319526795 945611338 /nfs/dbraw/zinc/61/13/38/945611338.db2.gz ZBSBVSZAESKOKT-ZIAGYGMSSA-N 2 0 324.469 0.455 20 30 DCEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC#CCOC)C1 ZINC001278608357 945683299 /nfs/dbraw/zinc/68/32/99/945683299.db2.gz LADMAEUCAHNAFP-HZPDHXFCSA-N 2 0 309.454 0.853 20 30 DCEDRP CC[NH+](CC)CCN(CCOC)C(=O)NCC#CC[NH+](C)C ZINC001251708861 945775989 /nfs/dbraw/zinc/77/59/89/945775989.db2.gz ZEUAQSSAXCHLNH-UHFFFAOYSA-N 2 0 312.458 0.551 20 30 DCEDRP C#CCOC[C@H](O)C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001251821065 945783658 /nfs/dbraw/zinc/78/36/58/945783658.db2.gz FVEMSAAPBALDLA-GOSISDBHSA-N 2 0 324.465 0.822 20 30 DCEDRP CCN(CC[NH2+]CC#CCOC)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001320811073 946026655 /nfs/dbraw/zinc/02/66/55/946026655.db2.gz INIUWGRYYXCHRG-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC001262202610 947600919 /nfs/dbraw/zinc/60/09/19/947600919.db2.gz XZKKOQLCQZEBEE-WYKIDQORSA-N 2 0 304.394 0.618 20 30 DCEDRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC001262202609 947601044 /nfs/dbraw/zinc/60/10/44/947601044.db2.gz XZKKOQLCQZEBEE-NZQAOMJDSA-N 2 0 304.394 0.618 20 30 DCEDRP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001325138649 947675154 /nfs/dbraw/zinc/67/51/54/947675154.db2.gz VBQDXWYWWQWWJY-NVXWUHKLSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001179549990 947867631 /nfs/dbraw/zinc/86/76/31/947867631.db2.gz OYBNYASQYPTIAU-IHRRRGAJSA-N 2 0 310.442 0.208 20 30 DCEDRP CN1CC[NH+](CC2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)CC1 ZINC001326486386 948178782 /nfs/dbraw/zinc/17/87/82/948178782.db2.gz MQWKJAOQNDDJDV-INIZCTEOSA-N 2 0 321.469 0.494 20 30 DCEDRP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001327602884 948566397 /nfs/dbraw/zinc/56/63/97/948566397.db2.gz IPAOMGUYTKQSGU-RDJZCZTQSA-N 2 0 309.454 0.847 20 30 DCEDRP C=C[C@@H](O)C[NH+]1CCC2(CCC(=O)N(CC[NH+](C)C)C2)CC1 ZINC001273881488 948653298 /nfs/dbraw/zinc/65/32/98/948653298.db2.gz OFUDSVJGOOVZFX-OAHLLOKOSA-N 2 0 309.454 0.800 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1OCC ZINC001263967821 948818795 /nfs/dbraw/zinc/81/87/95/948818795.db2.gz CPVZEQCJLLVNRQ-GDBMZVCRSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1OCC ZINC001263971155 948819470 /nfs/dbraw/zinc/81/94/70/948819470.db2.gz WDGHCJKFCQUHFB-HZPDHXFCSA-N 2 0 307.438 0.415 20 30 DCEDRP CC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001264080048 948875736 /nfs/dbraw/zinc/87/57/36/948875736.db2.gz FJBOSPHCWKMUHG-INIZCTEOSA-N 2 0 319.449 0.391 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001328568619 948967719 /nfs/dbraw/zinc/96/77/19/948967719.db2.gz YKDHCWSUCMSPSG-UHFFFAOYSA-N 2 0 321.465 0.829 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001488743215 949186228 /nfs/dbraw/zinc/18/62/28/949186228.db2.gz DRHRNTVPRYQIDB-IXDOHACOSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001265378482 949643827 /nfs/dbraw/zinc/64/38/27/949643827.db2.gz MBLZFMMMEMEEHB-JKSUJKDBSA-N 2 0 309.454 0.707 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001265441863 949689018 /nfs/dbraw/zinc/68/90/18/949689018.db2.gz WYACMFJXZTZGSI-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001265543776 949754701 /nfs/dbraw/zinc/75/47/01/949754701.db2.gz QLXQCFKTYXIPLC-OWCLPIDISA-N 2 0 307.438 0.747 20 30 DCEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001330241131 950220357 /nfs/dbraw/zinc/22/03/57/950220357.db2.gz GAVKOPKYYGTIPK-MRXNPFEDSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001490368306 950605079 /nfs/dbraw/zinc/60/50/79/950605079.db2.gz ZZVLTFTYPLQYCI-INIZCTEOSA-N 2 0 307.438 0.701 20 30 DCEDRP CC#CCN1CC[NH+](CCCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001490473772 950715866 /nfs/dbraw/zinc/71/58/66/950715866.db2.gz USDVBRUGTOQDHO-MRXNPFEDSA-N 2 0 306.454 0.228 20 30 DCEDRP C=C(C)C[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCOCC1 ZINC001281281003 951432342 /nfs/dbraw/zinc/43/23/42/951432342.db2.gz YYLRBRHEXFGPQS-UHFFFAOYSA-N 2 0 307.438 0.913 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCCOC)C[C@H]2C)CC1 ZINC001332066077 951460785 /nfs/dbraw/zinc/46/07/85/951460785.db2.gz UUOHPKPGXSHWQO-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001274250643 951515892 /nfs/dbraw/zinc/51/58/92/951515892.db2.gz JEMHMJNDWMTDGB-HOCLYGCPSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001332325681 951587052 /nfs/dbraw/zinc/58/70/52/951587052.db2.gz YVZKYJJQHNDRRU-CVEARBPZSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001281675565 951595199 /nfs/dbraw/zinc/59/51/99/951595199.db2.gz MLBARDASHVOFCW-HUUCEWRRSA-N 2 0 324.469 0.600 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001281676985 951595309 /nfs/dbraw/zinc/59/53/09/951595309.db2.gz SDKMGSPVSDRYRX-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP C=C[C@@](C)(O)C[N@H+]1CC[C@]2(CCN(Cc3cncn3C)C2=O)C1 ZINC001274617243 951743571 /nfs/dbraw/zinc/74/35/71/951743571.db2.gz WGXNXPVPKUMHML-SJORKVTESA-N 2 0 318.421 0.782 20 30 DCEDRP C=C(C)CC[NH+]1CCC(CO)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001274941560 951896756 /nfs/dbraw/zinc/89/67/56/951896756.db2.gz PIWUJOUUDMPMSI-UHFFFAOYSA-N 2 0 309.454 0.992 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001275135208 951968296 /nfs/dbraw/zinc/96/82/96/951968296.db2.gz GVSCQHFRBGNUBK-QGZVFWFLSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001275502768 952205879 /nfs/dbraw/zinc/20/58/79/952205879.db2.gz NYGVCAZTJVNIJU-KBPBESRZSA-N 2 0 324.469 0.503 20 30 DCEDRP C[NH+](C)CC#CCNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001335968481 952627280 /nfs/dbraw/zinc/62/72/80/952627280.db2.gz GTEMJVQKCADCNH-SFHVURJKSA-N 3 0 301.434 0.778 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001340876873 953201091 /nfs/dbraw/zinc/20/10/91/953201091.db2.gz RJEJCKUROUISFO-CABCVRRESA-N 2 0 322.453 0.481 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001283617891 954487486 /nfs/dbraw/zinc/48/74/86/954487486.db2.gz MYFUBPUSVBWGAF-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[NH2+]CC=C(C)C)CC1 ZINC001284475985 955116743 /nfs/dbraw/zinc/11/67/43/955116743.db2.gz DPJQSVGAROBFTP-QGZVFWFLSA-N 2 0 321.465 0.707 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001284815944 955265568 /nfs/dbraw/zinc/26/55/68/955265568.db2.gz PMWDUBXFSKSEBZ-NFOMZHRRSA-N 2 0 322.453 0.209 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001353534905 956096729 /nfs/dbraw/zinc/09/67/29/956096729.db2.gz LRILOOOHQOQUBY-UHFFFAOYSA-N 2 0 306.410 0.652 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001356620055 956911348 /nfs/dbraw/zinc/91/13/48/956911348.db2.gz AOHBCXORVCSNTG-UHFFFAOYSA-N 2 0 309.458 0.231 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001367582244 958110161 /nfs/dbraw/zinc/11/01/61/958110161.db2.gz NSMWODHQSKFXCK-QWHCGFSZSA-N 2 0 303.834 0.678 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001367582238 958110268 /nfs/dbraw/zinc/11/02/68/958110268.db2.gz NSMWODHQSKFXCK-OLZOCXBDSA-N 2 0 303.834 0.678 20 30 DCEDRP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001367625539 958208721 /nfs/dbraw/zinc/20/87/21/958208721.db2.gz SWSCPQHMUSEWBA-HOTGVXAUSA-N 2 0 318.421 0.465 20 30 DCEDRP C#CCC[NH+]1CCN(CCCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001316958746 960328930 /nfs/dbraw/zinc/32/89/30/960328930.db2.gz IHUDSQHDVLGMAD-QGZVFWFLSA-N 2 0 320.481 0.618 20 30 DCEDRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001379281597 962533918 /nfs/dbraw/zinc/53/39/18/962533918.db2.gz FEDFWGGWYPMJEV-NEPJUHHUSA-N 2 0 322.434 0.138 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001392390034 991861492 /nfs/dbraw/zinc/86/14/92/991861492.db2.gz GGWLRZUVPDQWLB-RWMBFGLXSA-N 2 0 303.834 0.536 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCOCC1 ZINC001502642331 1016012064 /nfs/dbraw/zinc/01/20/64/1016012064.db2.gz VUNCWUURDMWGBD-HOTGVXAUSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001507155031 1016039397 /nfs/dbraw/zinc/03/93/97/1016039397.db2.gz PXLAEUDCDMZNCY-KGLIPLIRSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001507163229 1016046505 /nfs/dbraw/zinc/04/65/05/1016046505.db2.gz TWLMONQCFVPHJB-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001502870897 1016110801 /nfs/dbraw/zinc/11/08/01/1016110801.db2.gz VWMWZKAOLPHNLP-LSDHHAIUSA-N 2 0 309.454 0.846 20 30 DCEDRP C=C(C)CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001503874193 1016182612 /nfs/dbraw/zinc/18/26/12/1016182612.db2.gz JQRCJSWUHADIOO-HNNXBMFYSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[NH2+]CC(C)(C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001505845727 1016607425 /nfs/dbraw/zinc/60/74/25/1016607425.db2.gz ZDIFHNMKDOWUGI-UHFFFAOYSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)C[C@@H]2CCOC2)CC1 ZINC001506065425 1016969525 /nfs/dbraw/zinc/96/95/25/1016969525.db2.gz OVFGEXQIFDCDBJ-CVEARBPZSA-N 2 0 321.465 0.805 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001438993344 1006335393 /nfs/dbraw/zinc/33/53/93/1006335393.db2.gz JOPBZQIRHQSGBZ-QWHCGFSZSA-N 2 0 303.834 0.680 20 30 DCEDRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCC#CC[NH+](C)C)C2)CC1 ZINC001564077745 1012519216 /nfs/dbraw/zinc/51/92/16/1012519216.db2.gz ULKJVNQCSGYGHT-OAHLLOKOSA-N 2 0 321.469 0.019 20 30 DCEDRP C=C(Cl)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001424530847 1012622068 /nfs/dbraw/zinc/62/20/68/1012622068.db2.gz PQAKZVLSRQMZFY-CYBMUJFWSA-N 2 0 315.845 0.634 20 30 DCEDRP C#CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001506843457 1017605919 /nfs/dbraw/zinc/60/59/19/1017605919.db2.gz LFXSKMZRBUDELU-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CCO1 ZINC001506847946 1017610213 /nfs/dbraw/zinc/61/02/13/1017610213.db2.gz TXSSZNNCZJFIQS-NVXWUHKLSA-N 2 0 321.465 0.946 20 30 DCEDRP COCC#CC[N@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001506973946 1017726232 /nfs/dbraw/zinc/72/62/32/1017726232.db2.gz AZFNJSWSAUGEOC-UHFFFAOYSA-N 2 0 309.454 0.899 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001499377955 1017897195 /nfs/dbraw/zinc/89/71/95/1017897195.db2.gz UWGHUAWJFVFKLR-UHFFFAOYSA-N 2 0 303.410 0.320 20 30 DCEDRP C=CCC[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001479931469 1017992807 /nfs/dbraw/zinc/99/28/07/1017992807.db2.gz XZHONOPBBMCRGY-HZPDHXFCSA-N 2 0 308.470 0.637 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497256389 1017998972 /nfs/dbraw/zinc/99/89/72/1017998972.db2.gz QOWVAPDWHZVCRQ-ILXRZTDVSA-N 2 0 324.469 0.503 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001499857819 1018106572 /nfs/dbraw/zinc/10/65/72/1018106572.db2.gz NYZVZRTXHCKXNJ-CABCVRRESA-N 2 0 322.453 0.045 20 30 DCEDRP COCC#CC[NH+]1CCC(C)(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001500003590 1018165816 /nfs/dbraw/zinc/16/58/16/1018165816.db2.gz SCZIMKPWEFZESP-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001500279984 1018374544 /nfs/dbraw/zinc/37/45/44/1018374544.db2.gz JOZFSGUMBDOBQE-RDJZCZTQSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001500279982 1018378026 /nfs/dbraw/zinc/37/80/26/1018378026.db2.gz JOZFSGUMBDOBQE-DOTOQJQBSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+]C/C=C/CNC(=O)CC[NH+]1CCCCC1 ZINC001497767207 1018399153 /nfs/dbraw/zinc/39/91/53/1018399153.db2.gz ZEVNOBQUMNGWFS-ONEGZZNKSA-N 2 0 307.438 0.774 20 30 DCEDRP C#CCC[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001500743199 1018624763 /nfs/dbraw/zinc/62/47/63/1018624763.db2.gz IQBJVMDPAVHEJM-KRWDZBQOSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCOC2CCC2)CC1 ZINC001480595816 1018693106 /nfs/dbraw/zinc/69/31/06/1018693106.db2.gz DIRYKULXJGGZNE-OAHLLOKOSA-N 2 0 321.465 0.995 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CN(C)CC#CCOC ZINC001498456925 1019136339 /nfs/dbraw/zinc/13/63/39/1019136339.db2.gz QOPMGJDFVBEBNT-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[NH2+]CCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001498559215 1019227458 /nfs/dbraw/zinc/22/74/58/1019227458.db2.gz AXBDKPDSPCMICQ-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001502052774 1019661424 /nfs/dbraw/zinc/66/14/24/1019661424.db2.gz CBSOGLZMGMGFOO-HZPDHXFCSA-N 2 0 307.438 0.721 20 30 DCEDRP CN(C)C(=O)CNC(=[NH+]C1CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262334428 238172576 /nfs/dbraw/zinc/17/25/76/238172576.db2.gz VREGGBGNTRFLAY-AWEZNQCLSA-N 2 0 305.426 0.129 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000057137491 395939746 /nfs/dbraw/zinc/93/97/46/395939746.db2.gz FBVHLWNOYVDEFF-KRWDZBQOSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000073436481 396145962 /nfs/dbraw/zinc/14/59/62/396145962.db2.gz XRAIOLRGEIHNHG-CQSZACIVSA-N 2 0 322.453 0.163 20 30 DCEDRP COCCNC(=[NH2+])NCc1ccncc1OCCC[NH+](C)C ZINC000288790425 415690010 /nfs/dbraw/zinc/69/00/10/415690010.db2.gz XQJHLPJAVRWEKN-UHFFFAOYSA-N 2 0 309.414 0.463 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000343735048 415701273 /nfs/dbraw/zinc/70/12/73/415701273.db2.gz DXPSYLFGVIOXNR-ZFWWWQNUSA-N 2 0 322.453 0.352 20 30 DCEDRP O=C(NCC[NH+]1CCC1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000328719155 416128758 /nfs/dbraw/zinc/12/87/58/416128758.db2.gz QBODAMYPJGYJGA-HZPDHXFCSA-N 2 0 324.469 0.964 20 30 DCEDRP C[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)C1=CC[N@H+](C)CC1 ZINC000330789220 416238608 /nfs/dbraw/zinc/23/86/08/416238608.db2.gz RTWYRIOUGJXJRV-ZDUSSCGKSA-N 2 0 320.441 1.421 20 30 DCEDRP CN(CC[NH+](C)C)c1ccc(C#N)c(N(C)CC[NH+](C)C)n1 ZINC000195267017 416325922 /nfs/dbraw/zinc/32/59/22/416325922.db2.gz WIRNBDREJACOFI-UHFFFAOYSA-N 2 0 304.442 0.949 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2C[NH2+]C)CC1 ZINC000419723450 416406480 /nfs/dbraw/zinc/40/64/80/416406480.db2.gz FYODYDTZPHOIIR-HNNXBMFYSA-N 2 0 322.453 0.354 20 30 DCEDRP C[C@@H]1C[C@H](CO)C[NH+](CC#CC[N@@H+]2C[C@H](C)C[C@H](CO)C2)C1 ZINC000420953873 416419840 /nfs/dbraw/zinc/41/98/40/416419840.db2.gz YYCXJPSAWJJUEV-BDXSIMOUSA-N 2 0 308.466 0.890 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000491266132 416592507 /nfs/dbraw/zinc/59/25/07/416592507.db2.gz NUZPIMITMTVWFQ-MRXNPFEDSA-N 2 0 324.469 0.334 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000562800413 416870108 /nfs/dbraw/zinc/87/01/08/416870108.db2.gz QEWWTMWHWXKGBU-OAHLLOKOSA-N 2 0 309.458 0.311 20 30 DCEDRP CC(C)[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)N1CC[NH+](C)CC1 ZINC000565714338 417010597 /nfs/dbraw/zinc/01/05/97/417010597.db2.gz IWLPCMMJRXICJY-CABCVRRESA-N 2 0 309.458 0.396 20 30 DCEDRP C[NH+]1C[C@H]2CCN(CC#CCN3CC[C@H]4C[N@@H+](C)C[C@@H]43)[C@H]2C1 ZINC000644733059 417650831 /nfs/dbraw/zinc/65/08/31/417650831.db2.gz LGGCLXGYBHYWTC-MHORFTMASA-N 2 0 302.466 0.262 20 30 DCEDRP C=CC[C@@]1(C(=O)NC[C@@H](C)N2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000662756466 417892463 /nfs/dbraw/zinc/89/24/63/417892463.db2.gz HXOAJXOPWGXFPD-WBVHZDCISA-N 2 0 308.470 0.827 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001571398964 1159217384 /nfs/dbraw/zinc/21/73/84/1159217384.db2.gz HUMQCDWXFFWXQD-OAHLLOKOSA-N 2 0 309.454 0.947 20 30 DCEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000329819536 336085633 /nfs/dbraw/zinc/08/56/33/336085633.db2.gz XVDXJXFLYFIHKG-YUELXQCFSA-N 2 0 309.458 0.219 20 30 DCEDRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+](C)CC1 ZINC000329919441 336095407 /nfs/dbraw/zinc/09/54/07/336095407.db2.gz DGPJTRVGMWQTMC-AWEZNQCLSA-N 2 0 311.474 0.610 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001568991838 1160910839 /nfs/dbraw/zinc/91/08/39/1160910839.db2.gz LXGRHCNCNMYCTA-ZIAGYGMSSA-N 2 0 310.442 0.256 20 30 DCEDRP COc1ccc(NC(=[NH2+])NC[C@@H]2C[NH+]3CCN2CC3)cc1OC ZINC000262822426 533991006 /nfs/dbraw/zinc/99/10/06/533991006.db2.gz XGQGKPWQBNGVAF-CYBMUJFWSA-N 2 0 319.409 0.430 20 30 DCEDRP C[NH+]=C(NCC[NH+]1CCCCC1)NC[C@]1(O)CCSC1 ZINC000262838549 526356909 /nfs/dbraw/zinc/35/69/09/526356909.db2.gz QZIZZRVEXYDMKA-CQSZACIVSA-N 2 0 300.472 0.505 20 30 DCEDRP C[NH+]=C(NCCn1cncn1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262491589 526368684 /nfs/dbraw/zinc/36/86/84/526368684.db2.gz VCWWNDJLKGSOEQ-AWEZNQCLSA-N 2 0 305.430 0.414 20 30 DCEDRP C[NH+]=C(NC[C@H](C)N1CC[NH+](C)CC1)N(C)C[C@@H]1CCOC1 ZINC000156104766 526374975 /nfs/dbraw/zinc/37/49/75/526374975.db2.gz RMLAXXBPWBYDBM-GJZGRUSLSA-N 2 0 311.474 0.166 20 30 DCEDRP C[NH+]=C(NCc1nnc(C)n1C)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000261967008 526390884 /nfs/dbraw/zinc/39/08/84/526390884.db2.gz LRELOWXTQSNIHY-CQSZACIVSA-N 2 0 319.457 0.617 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264144854 529058206 /nfs/dbraw/zinc/05/82/06/529058206.db2.gz XRQYNMUQTBGKJQ-CQSZACIVSA-N 2 0 317.441 0.398 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)Cc1ccccc1 ZINC000264308408 529100149 /nfs/dbraw/zinc/10/01/49/529100149.db2.gz UMRGRRUJMLMYBG-JKSUJKDBSA-N 2 0 304.438 0.979 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1ccccc1 ZINC000264094667 529100459 /nfs/dbraw/zinc/10/04/59/529100459.db2.gz LPIQHZLDCHNFMA-HNNXBMFYSA-N 2 0 317.437 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@](CO)([NH2+]CC)C2)CC1 ZINC001673708550 1175226994 /nfs/dbraw/zinc/22/69/94/1175226994.db2.gz BJPWZIAJJORHDI-KRWDZBQOSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)CCO)C2)CC1 ZINC001027693551 660626080 /nfs/dbraw/zinc/62/60/80/660626080.db2.gz FICVJRZWTOVMNE-MRXNPFEDSA-N 2 0 307.438 0.247 20 30 DCEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000083129002 660823389 /nfs/dbraw/zinc/82/33/89/660823389.db2.gz FBCOJKCJPNZWOK-UONOGXRCSA-N 2 0 305.470 0.872 20 30 DCEDRP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000980220433 660893472 /nfs/dbraw/zinc/89/34/72/660893472.db2.gz ZRWVBZJGGXGKLD-HRCADAONSA-N 2 0 301.434 0.932 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870941210 667776209 /nfs/dbraw/zinc/77/62/09/667776209.db2.gz RWWONUWJZAKZNN-USWWRNFRSA-N 2 0 323.194 0.677 20 30 DCEDRP C[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000262363174 657896053 /nfs/dbraw/zinc/89/60/53/657896053.db2.gz HFASLNJCOMKQEE-YWPYICTPSA-N 2 0 312.483 0.645 20 30 DCEDRP CC#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000972673249 658221317 /nfs/dbraw/zinc/22/13/17/658221317.db2.gz GECWVAXKQXSTSQ-WBVHZDCISA-N 2 0 305.422 0.265 20 30 DCEDRP C=CC[N@H+]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000982156214 661299628 /nfs/dbraw/zinc/29/96/28/661299628.db2.gz NPSYGVJHCQAYSB-UHFFFAOYSA-N 2 0 305.426 0.779 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001028643496 661716048 /nfs/dbraw/zinc/71/60/48/661716048.db2.gz OVLPZKFGUPNOQW-HUUCEWRRSA-N 2 0 300.406 0.907 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](C[C@H](C)OC)C2)CC1 ZINC001029003005 661929981 /nfs/dbraw/zinc/92/99/81/661929981.db2.gz GMFXIHMFXIFZLO-JKSUJKDBSA-N 2 0 321.465 0.805 20 30 DCEDRP CCOCCCNC(=[NH2+])NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000303886343 662458948 /nfs/dbraw/zinc/45/89/48/662458948.db2.gz NQSHLTFTVRQWHV-HNNXBMFYSA-N 2 0 313.490 0.591 20 30 DCEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000985543348 662476120 /nfs/dbraw/zinc/47/61/20/662476120.db2.gz MFGLONPUCBZCTO-HQVVEAJESA-N 2 0 319.449 0.958 20 30 DCEDRP C#CC[N@@H+](C)C1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000985695466 662501130 /nfs/dbraw/zinc/50/11/30/662501130.db2.gz VUDQJPPLNHAJDU-UHFFFAOYSA-N 2 0 317.437 0.614 20 30 DCEDRP C[NH+]=C(NCC1(O)CCC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000262775409 662576540 /nfs/dbraw/zinc/57/65/40/662576540.db2.gz JBUVYSAHJUZWGP-AWEZNQCLSA-N 2 0 324.469 0.567 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H](C)OC)CC1 ZINC001032800759 665977153 /nfs/dbraw/zinc/97/71/53/665977153.db2.gz YKRVVTPTDQZJAA-PVAVHDDUSA-N 2 0 319.449 0.652 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000911236264 664009074 /nfs/dbraw/zinc/00/90/74/664009074.db2.gz OFCULJYCHIZRDQ-CQSZACIVSA-N 2 0 322.453 0.340 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000730285722 664676793 /nfs/dbraw/zinc/67/67/93/664676793.db2.gz GKFSDTWMDNYGHN-HRCADAONSA-N 2 0 305.422 0.142 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCO)[C@@H]2C)CC1 ZINC000994498673 665116877 /nfs/dbraw/zinc/11/68/77/665116877.db2.gz NTMVIQAFAYWBFG-GDBMZVCRSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000917224932 665122082 /nfs/dbraw/zinc/12/20/82/665122082.db2.gz YTICLHFRDOASND-OAHLLOKOSA-N 2 0 321.469 0.019 20 30 DCEDRP C#CCN(C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000918882809 665187694 /nfs/dbraw/zinc/18/76/94/665187694.db2.gz NWFNBOBBRCUNJS-AWEZNQCLSA-N 2 0 304.438 0.962 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000941571075 666021313 /nfs/dbraw/zinc/02/13/13/666021313.db2.gz KRQPFDCZUZSWPV-INIZCTEOSA-N 2 0 308.470 0.731 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](CCCO)CC2)CC1 ZINC001002144429 666135755 /nfs/dbraw/zinc/13/57/55/666135755.db2.gz FUIBRVPIACNMBZ-UHFFFAOYSA-N 2 0 321.465 0.542 20 30 DCEDRP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946639995 666574313 /nfs/dbraw/zinc/57/43/13/666574313.db2.gz MNSCYLIGHJWLKS-WCXIOVBPSA-N 2 0 319.449 0.509 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033278129 666658995 /nfs/dbraw/zinc/65/89/95/666658995.db2.gz MDNIVWLPLMVGHN-BNQMIIOLSA-N 2 0 319.449 0.958 20 30 DCEDRP C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C[NH+]1CCCC1 ZINC000884195653 667494897 /nfs/dbraw/zinc/49/48/97/667494897.db2.gz VFVKHXVSIAZFKN-UJEKJILKSA-N 2 0 304.438 0.974 20 30 DCEDRP C#CCN1CCC[C@@H](NC(=O)NCCC[N@@H+](C)CCOC)C1 ZINC000884198311 667495713 /nfs/dbraw/zinc/49/57/13/667495713.db2.gz RZEWCEXJUSLSLE-OAHLLOKOSA-N 2 0 310.442 0.352 20 30 DCEDRP C[C@@H]1C[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[N@@H+]1C1CC1 ZINC000884233317 667506116 /nfs/dbraw/zinc/50/61/16/667506116.db2.gz NZCIRSYQRDXSAB-KPFWJWBDSA-N 2 0 302.422 0.867 20 30 DCEDRP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515974 667551702 /nfs/dbraw/zinc/55/17/02/667551702.db2.gz PHYKTUZQZKFRFU-XHSDSOJGSA-N 2 0 301.390 0.839 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000884642231 667581260 /nfs/dbraw/zinc/58/12/60/667581260.db2.gz DMCQUVZLHOZHAC-STQMWFEESA-N 2 0 308.426 0.091 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CCCCCC[NH3+])CC1 ZINC000884642545 667581264 /nfs/dbraw/zinc/58/12/64/667581264.db2.gz LSGXEZYJHXPACX-UHFFFAOYSA-N 2 0 324.469 0.731 20 30 DCEDRP C#CCN(C(=O)COC1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000886571239 667777302 /nfs/dbraw/zinc/77/73/02/667777302.db2.gz OABMVSIPMBXJHB-UHFFFAOYSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CCOCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875474118 668327229 /nfs/dbraw/zinc/32/72/29/668327229.db2.gz NWPIDHQGYQWXRI-HUUCEWRRSA-N 2 0 312.458 0.570 20 30 DCEDRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCO1 ZINC000876543920 668463034 /nfs/dbraw/zinc/46/30/34/668463034.db2.gz OXLNXSGDDNBTKP-XZJROXQQSA-N 2 0 314.389 0.320 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000876776290 668508765 /nfs/dbraw/zinc/50/87/65/668508765.db2.gz HDTKRRIMDCRGOC-ZDUSSCGKSA-N 2 0 302.850 0.599 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000876801487 668514001 /nfs/dbraw/zinc/51/40/01/668514001.db2.gz DGFDCQRTMKIUKJ-ADEWGFFLSA-N 2 0 312.295 0.933 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877329642 668602767 /nfs/dbraw/zinc/60/27/67/668602767.db2.gz WXYUGQKJHIHGPG-OAHLLOKOSA-N 2 0 305.422 0.264 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)C[N@H+]1CCC[C@@H]1C)CCO2 ZINC000949189561 670283678 /nfs/dbraw/zinc/28/36/78/670283678.db2.gz ZDBYEJYELOZHDA-INIZCTEOSA-N 2 0 319.449 0.797 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)C[C@H]1CC[N@@H+](C)C1)CCO2 ZINC000949226002 670290887 /nfs/dbraw/zinc/29/08/87/670290887.db2.gz BRCUPZRGHPXOEL-MRXNPFEDSA-N 2 0 319.449 0.655 20 30 DCEDRP CNC(NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)=[NH+]C ZINC000849043659 670754266 /nfs/dbraw/zinc/75/42/66/670754266.db2.gz ZXGNOHYXIQIPAZ-UHFFFAOYSA-N 2 0 317.437 0.679 20 30 DCEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852856036 671175838 /nfs/dbraw/zinc/17/58/38/671175838.db2.gz SLKSGVDHLFJPPQ-MRXNPFEDSA-N 2 0 307.438 0.462 20 30 DCEDRP CCC[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000852893793 671188514 /nfs/dbraw/zinc/18/85/14/671188514.db2.gz KKTXZEUUCHLNBA-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C[NH+](C)CCOc1cccc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000841051415 671910856 /nfs/dbraw/zinc/91/08/56/671910856.db2.gz PDGDNBZMTOPKPR-IUODEOHRSA-N 2 0 317.393 0.860 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2C[C@H](C)O)CC1 ZINC001024812398 693836460 /nfs/dbraw/zinc/83/64/60/693836460.db2.gz OJHNPWQBAFMATF-DOTOQJQBSA-N 2 0 321.465 0.683 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)CN1CCOCC1 ZINC000304741348 685211888 /nfs/dbraw/zinc/21/18/88/685211888.db2.gz CBDJKTVQQZYJAP-CABCVRRESA-N 2 0 311.474 0.343 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)CN1CCOCC1 ZINC000304741350 685212213 /nfs/dbraw/zinc/21/22/13/685212213.db2.gz CBDJKTVQQZYJAP-GJZGRUSLSA-N 2 0 311.474 0.343 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCO)[C@H](CC)C2)CC1 ZINC001037986057 693978688 /nfs/dbraw/zinc/97/86/88/693978688.db2.gz ZBBQZBXYTLJQPI-WBVHZDCISA-N 2 0 321.465 0.541 20 30 DCEDRP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038534484 694108830 /nfs/dbraw/zinc/10/88/30/694108830.db2.gz HREHUNFFIBRRNA-KRIMKBQASA-N 2 0 303.406 0.063 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC000958345745 687566502 /nfs/dbraw/zinc/56/65/02/687566502.db2.gz RHIJWFKEVUTRGP-CABCVRRESA-N 2 0 321.421 0.940 20 30 DCEDRP C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000958481767 687695435 /nfs/dbraw/zinc/69/54/35/687695435.db2.gz RYDWRMHHOWNMMF-DLBZAZTESA-N 2 0 315.417 0.404 20 30 DCEDRP C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000958558512 687745760 /nfs/dbraw/zinc/74/57/60/687745760.db2.gz IHZXGALVKWOUFV-RDJZCZTQSA-N 2 0 324.384 0.528 20 30 DCEDRP C=CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958598070 687785862 /nfs/dbraw/zinc/78/58/62/687785862.db2.gz HOXOZEZNHNLCIY-SWLSCSKDSA-N 2 0 304.394 0.356 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2C[C@H](C)OC)CC1 ZINC001039042221 694283876 /nfs/dbraw/zinc/28/38/76/694283876.db2.gz NRBUNUFIMRDLMT-HOCLYGCPSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2C[C@@H](CC)OC)CC1 ZINC001039042863 694284375 /nfs/dbraw/zinc/28/43/75/694284375.db2.gz YHPRRXATQMMBQM-DLBZAZTESA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000968714381 690376500 /nfs/dbraw/zinc/37/65/00/690376500.db2.gz KKRHYXIYHZLYSY-ZACQAIPSSA-N 2 0 319.449 0.557 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015826239 692457553 /nfs/dbraw/zinc/45/75/53/692457553.db2.gz COKZGKIBMWMRSJ-OAHLLOKOSA-N 2 0 305.426 0.825 20 30 DCEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001016627078 692734811 /nfs/dbraw/zinc/73/48/11/692734811.db2.gz IYUQZXCUKPOTBF-JKSUJKDBSA-N 2 0 301.434 0.932 20 30 DCEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001019779341 693585872 /nfs/dbraw/zinc/58/58/72/693585872.db2.gz WXBLDUCZDJQFHJ-JSGCOSHPSA-N 2 0 315.845 0.898 20 30 DCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760864 694661522 /nfs/dbraw/zinc/66/15/22/694661522.db2.gz QZJHUWIWKCESIL-HUUCEWRRSA-N 2 0 303.406 0.017 20 30 DCEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC001072914168 694683425 /nfs/dbraw/zinc/68/34/25/694683425.db2.gz YCUKPCCFRFJPRX-OAHLLOKOSA-N 2 0 307.438 0.816 20 30 DCEDRP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001073661781 694761583 /nfs/dbraw/zinc/76/15/83/694761583.db2.gz COOWSAINBFFUKK-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001570496339 1162531509 /nfs/dbraw/zinc/53/15/09/1162531509.db2.gz RVSAZTMIFMEZNG-INIZCTEOSA-N 2 0 321.465 0.827 20 30 DCEDRP COCC#CC[N@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001571333490 1162703329 /nfs/dbraw/zinc/70/33/29/1162703329.db2.gz SXJCVBGUSVIHSE-UHFFFAOYSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CC[NH2+][C@H](CO)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001571434264 1162751246 /nfs/dbraw/zinc/75/12/46/1162751246.db2.gz CFIJVHYLFABKGI-LBPRGKRZSA-N 2 0 301.350 0.134 20 30 DCEDRP CC#CC[NH2+][C@H](CO)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001571440529 1162756898 /nfs/dbraw/zinc/75/68/98/1162756898.db2.gz DIOQROZSUPJPAC-BBRMVZONSA-N 2 0 313.417 0.289 20 30 DCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C ZINC001571462819 1162769134 /nfs/dbraw/zinc/76/91/34/1162769134.db2.gz KTNGJLPNIDSYJJ-GDBMZVCRSA-N 2 0 317.437 0.661 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001571490184 1162780921 /nfs/dbraw/zinc/78/09/21/1162780921.db2.gz ANTULCNDMVIUDD-UONOGXRCSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001571586295 1162830697 /nfs/dbraw/zinc/83/06/97/1162830697.db2.gz LWJKTPMWAAFRNQ-MRXNPFEDSA-N 2 0 309.454 0.683 20 30 DCEDRP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001571603195 1162851089 /nfs/dbraw/zinc/85/10/89/1162851089.db2.gz WCHHTWOEAQBIGQ-IAGOWNOFSA-N 2 0 323.481 0.881 20 30 DCEDRP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001571603251 1162853041 /nfs/dbraw/zinc/85/30/41/1162853041.db2.gz XAHZDAVTTOEERO-CQSZACIVSA-N 2 0 323.462 0.808 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+][C@H](C)COC)CC1 ZINC001754025084 1157462326 /nfs/dbraw/zinc/46/23/26/1157462326.db2.gz DMPLTKUDMSJZKY-LSDHHAIUSA-N 2 0 309.454 0.851 20 30 DCEDRP CC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001691535622 1158317740 /nfs/dbraw/zinc/31/77/40/1158317740.db2.gz IEHKMYNYDWYHSC-INIZCTEOSA-N 2 0 309.454 0.635 20 30 DCEDRP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001691535929 1158318209 /nfs/dbraw/zinc/31/82/09/1158318209.db2.gz MEXYPJZTMIOLCK-KRWDZBQOSA-N 2 0 321.465 0.637 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001565876115 1159919653 /nfs/dbraw/zinc/91/96/53/1159919653.db2.gz AGHCWNKTDIMYOX-KKUMJFAQSA-N 2 0 322.453 0.115 20 30 DCEDRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC#CCOC)CC[C@@H]2C1)[NH+](C)C ZINC001566049396 1159953968 /nfs/dbraw/zinc/95/39/68/1159953968.db2.gz BJSAEMIRXXKNPF-IKGGRYGDSA-N 2 0 321.465 0.757 20 30 DCEDRP COCC#CC[N@H+](C)CCCNC(=O)CCc1cncn1C ZINC001566513215 1160031026 /nfs/dbraw/zinc/03/10/26/1160031026.db2.gz UXPNTDYYBFKPSO-UHFFFAOYSA-N 2 0 306.410 0.441 20 30 DCEDRP C=CCOCC[NH+]1CC[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001567409416 1160354906 /nfs/dbraw/zinc/35/49/06/1160354906.db2.gz HIGOMNWISPUGQB-HOTGVXAUSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CCOCC[NH+]1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001567829915 1160493901 /nfs/dbraw/zinc/49/39/01/1160493901.db2.gz INJDUTOAVYUKES-MRXNPFEDSA-N 2 0 307.438 0.579 20 30 DCEDRP COCC#CC[NH2+]CC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001568007863 1160561287 /nfs/dbraw/zinc/56/12/87/1160561287.db2.gz HAMPIZSWLYXSMR-INIZCTEOSA-N 2 0 321.465 0.997 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001569662547 1161188529 /nfs/dbraw/zinc/18/85/29/1161188529.db2.gz VUAQHVWFNNDVAD-YOEHRIQHSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CCN(C(=O)N[C@@H](CC[NH3+])C(F)F)C1CC[NH+](C)CC1 ZINC001574584004 1163732317 /nfs/dbraw/zinc/73/23/17/1163732317.db2.gz SIHQTZUFSFVEJX-LBPRGKRZSA-N 2 0 302.369 0.708 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC001574673886 1163739781 /nfs/dbraw/zinc/73/97/81/1163739781.db2.gz QSVPRGYNWQWGMQ-GFCCVEGCSA-N 2 0 301.394 0.314 20 30 DCEDRP C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C1=CC[N@H+](C)CC1 ZINC001576186696 1164262888 /nfs/dbraw/zinc/26/28/88/1164262888.db2.gz QJPOLCCABLIDQA-IDSHBHDBSA-N 2 0 302.422 0.892 20 30 DCEDRP CCN(CCC#N)C(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001577710846 1164771854 /nfs/dbraw/zinc/77/18/54/1164771854.db2.gz DWNHFVHMNMZTDO-AWEZNQCLSA-N 2 0 308.426 0.578 20 30 DCEDRP COCC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001578999193 1165184078 /nfs/dbraw/zinc/18/40/78/1165184078.db2.gz UCXUVVUVCKTKCT-INIZCTEOSA-N 2 0 318.421 0.812 20 30 DCEDRP CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001649975544 1173354216 /nfs/dbraw/zinc/35/42/16/1173354216.db2.gz MFMWSVWXUVKYHI-ZUVKWYAVSA-N 2 0 302.422 0.867 20 30 DCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC001666291231 1174597444 /nfs/dbraw/zinc/59/74/44/1174597444.db2.gz UIGPFIGJMXBHPT-WKILWMFISA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001666913911 1174646876 /nfs/dbraw/zinc/64/68/76/1174646876.db2.gz LVBUBOOQRASSBT-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001666921933 1174647205 /nfs/dbraw/zinc/64/72/05/1174647205.db2.gz VDMCDQWGOSLVIU-ZIAGYGMSSA-N 2 0 322.453 0.045 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H](F)C[NH+](CC)CC)CCOCC1 ZINC001671934655 1175046302 /nfs/dbraw/zinc/04/63/02/1175046302.db2.gz CNILQYPOAYMAEY-AWEZNQCLSA-N 2 0 313.417 0.555 20 30 DCEDRP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001671999377 1175058688 /nfs/dbraw/zinc/05/86/88/1175058688.db2.gz XBDKXINAFJNXHH-NVXWUHKLSA-N 2 0 307.438 0.436 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCOC)C1 ZINC001672809240 1175153870 /nfs/dbraw/zinc/15/38/70/1175153870.db2.gz ACPMLCFULLTNOI-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001673690108 1175224085 /nfs/dbraw/zinc/22/40/85/1175224085.db2.gz XJCQIXCFCNIWML-QGZVFWFLSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001674324603 1175270197 /nfs/dbraw/zinc/27/01/97/1175270197.db2.gz SXAHMFHHUQMSRN-UHFFFAOYSA-N 2 0 321.465 0.685 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001674687357 1175291184 /nfs/dbraw/zinc/29/11/84/1175291184.db2.gz PCNMIVPECKQWQA-JKSUJKDBSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001675159578 1175333176 /nfs/dbraw/zinc/33/31/76/1175333176.db2.gz AUTALIMOSJAKCI-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001675708806 1175386768 /nfs/dbraw/zinc/38/67/68/1175386768.db2.gz ZVJNTIXGOYHRTH-HOTGVXAUSA-N 2 0 319.449 0.559 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC#CCOC)C1 ZINC001676966414 1175507714 /nfs/dbraw/zinc/50/77/14/1175507714.db2.gz XVSKYZSUMGPNCS-HZPDHXFCSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CN(CC)CCO1 ZINC001687783873 1176289604 /nfs/dbraw/zinc/28/96/04/1176289604.db2.gz NRBAXNBJBZIDIT-OWCLPIDISA-N 2 0 305.422 0.406 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2cnc(C)o2)CC1 ZINC001690650711 1177294679 /nfs/dbraw/zinc/29/46/79/1177294679.db2.gz PXHGJMXQXCRYMD-ZDUSSCGKSA-N 2 0 318.421 0.923 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1OCC ZINC001692041947 1177407458 /nfs/dbraw/zinc/40/74/58/1177407458.db2.gz ASWBHRGWAXCQCU-ARFHVFGLSA-N 2 0 309.454 0.967 20 30 DCEDRP CC[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC#CCOC ZINC001698615010 1177584588 /nfs/dbraw/zinc/58/45/88/1177584588.db2.gz PNWBKPXHMMZEBC-MRXNPFEDSA-N 2 0 309.454 0.853 20 30 DCEDRP COCC#CC[NH2+]C[C@](C)(NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001698650907 1177600901 /nfs/dbraw/zinc/60/09/01/1177600901.db2.gz FBMNRJIGGXUTEP-YJBOKZPZSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@](C)(C[NH2+]CCO)C2CC2)CC1 ZINC001698652110 1177600937 /nfs/dbraw/zinc/60/09/37/1177600937.db2.gz HSDYCANJCOWFPA-KRWDZBQOSA-N 2 0 307.438 0.198 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001698778136 1177647896 /nfs/dbraw/zinc/64/78/96/1177647896.db2.gz OWTSOXMBUVRTFM-MRXNPFEDSA-N 2 0 309.454 0.854 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001698901060 1177713848 /nfs/dbraw/zinc/71/38/48/1177713848.db2.gz LNJQSWUAYFCMJJ-HZPDHXFCSA-N 2 0 309.454 0.803 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001699011496 1177769546 /nfs/dbraw/zinc/76/95/46/1177769546.db2.gz AJVGTCQMEJOWMO-SJORKVTESA-N 2 0 319.449 0.655 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001699595283 1178210451 /nfs/dbraw/zinc/21/04/51/1178210451.db2.gz PCNNZAJEJYJWJV-QGZVFWFLSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC001699656303 1178240622 /nfs/dbraw/zinc/24/06/22/1178240622.db2.gz YKOCOPXBUNWWPL-UHFFFAOYSA-N 2 0 307.438 0.607 20 30 DCEDRP C=C(C)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001699898493 1178346801 /nfs/dbraw/zinc/34/68/01/1178346801.db2.gz OBYOFCJSZIEWRS-RDJZCZTQSA-N 2 0 309.454 0.988 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001700016956 1178431882 /nfs/dbraw/zinc/43/18/82/1178431882.db2.gz LQEXHRVSZLFUAC-YESZJQIVSA-N 2 0 319.449 0.653 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001700041545 1178455846 /nfs/dbraw/zinc/45/58/46/1178455846.db2.gz VKQDSDDMHLDMHB-CVEARBPZSA-N 2 0 307.438 0.437 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001700584709 1178667560 /nfs/dbraw/zinc/66/75/60/1178667560.db2.gz OVTSNTZUAXNUCO-OSYLJGHBSA-N 2 0 319.449 0.415 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001700826730 1178766838 /nfs/dbraw/zinc/76/68/38/1178766838.db2.gz SUFAOIPTHSTZNM-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001700826729 1178766867 /nfs/dbraw/zinc/76/68/67/1178766867.db2.gz SUFAOIPTHSTZNM-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH2+]CCOCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001701039029 1178895246 /nfs/dbraw/zinc/89/52/46/1178895246.db2.gz CZGOBUIBEBUFCM-UHFFFAOYSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCC[C@@H](C)O)C2)CC1 ZINC001713208212 1180719812 /nfs/dbraw/zinc/71/98/12/1180719812.db2.gz FGXLCESALFIWBN-OIISXLGYSA-N 2 0 321.465 0.729 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001713328497 1180769416 /nfs/dbraw/zinc/76/94/16/1180769416.db2.gz QHIXMLQDTFGRLD-KGLIPLIRSA-N 2 0 322.453 0.093 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001713380478 1180791706 /nfs/dbraw/zinc/79/17/06/1180791706.db2.gz FGSGTQIKMPAGPL-LSDHHAIUSA-N 2 0 322.453 0.401 20 30 DCEDRP CC#CC[N@H+](CCC)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001713551899 1180916835 /nfs/dbraw/zinc/91/68/35/1180916835.db2.gz DWRMMSADBFJLBH-INIZCTEOSA-N 2 0 309.454 0.806 20 30 DCEDRP COCC#CC[NH2+][C@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001713680559 1181013241 /nfs/dbraw/zinc/01/32/41/1181013241.db2.gz OBNKMQHAXPIFNZ-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001713873830 1181124689 /nfs/dbraw/zinc/12/46/89/1181124689.db2.gz CKUGWGHFKCFZTR-HNNXBMFYSA-N 2 0 307.438 0.462 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001714001672 1181195312 /nfs/dbraw/zinc/19/53/12/1181195312.db2.gz ALEVTXNCLHIXCT-KBXIAJHMSA-N 2 0 322.453 0.398 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001714048189 1181224176 /nfs/dbraw/zinc/22/41/76/1181224176.db2.gz LIYKNQHXROLCDY-INIZCTEOSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001714048191 1181224753 /nfs/dbraw/zinc/22/47/53/1181224753.db2.gz LIYKNQHXROLCDY-MRXNPFEDSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CC#CCOC)CC1 ZINC001714881675 1181583567 /nfs/dbraw/zinc/58/35/67/1181583567.db2.gz PHQCZQMMAYOXDA-INIZCTEOSA-N 2 0 319.449 0.418 20 30 DCEDRP C=CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001714887867 1181586933 /nfs/dbraw/zinc/58/69/33/1181586933.db2.gz PGPNZHNUHPMMMP-IRXDYDNUSA-N 2 0 322.497 0.979 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001715099968 1181688933 /nfs/dbraw/zinc/68/89/33/1181688933.db2.gz RGNKPVQFTDEYGO-HOTGVXAUSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001716086376 1182181912 /nfs/dbraw/zinc/18/19/12/1182181912.db2.gz VWPCHEFVWDUZIH-HOCLYGCPSA-N 2 0 307.438 0.341 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001716454747 1182396298 /nfs/dbraw/zinc/39/62/98/1182396298.db2.gz IHWUONBNYZJTQI-HOTGVXAUSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCN1CC[C@H]([N@@H+](C)C[C@@H](C)NC(=O)C[NH+]2CCCC2)C1=O ZINC001716506275 1182419394 /nfs/dbraw/zinc/41/93/94/1182419394.db2.gz YWVKLTUBCCMDGB-CABCVRRESA-N 2 0 322.453 0.306 20 30 DCEDRP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC#CCOC ZINC001716637214 1182472176 /nfs/dbraw/zinc/47/21/76/1182472176.db2.gz OOJIZSXVIFLNTJ-JKSUJKDBSA-N 2 0 309.454 0.805 20 30 DCEDRP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001716918522 1182572873 /nfs/dbraw/zinc/57/28/73/1182572873.db2.gz HTJQIWOOCGUSPI-FUHWJXTLSA-N 2 0 321.465 0.847 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001716992422 1182613921 /nfs/dbraw/zinc/61/39/21/1182613921.db2.gz RNQFLNHHWIRVLW-CABCVRRESA-N 2 0 317.437 0.376 20 30 DCEDRP CC#CC[NH2+]C1CCN(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001717018097 1182625170 /nfs/dbraw/zinc/62/51/70/1182625170.db2.gz YHMOMRVDSBZEFJ-INIZCTEOSA-N 2 0 308.470 0.520 20 30 DCEDRP C=CCC[NH2+]CCN(CCO)C(=O)C12CCC[NH+](CCC1)C2 ZINC001717053588 1182652718 /nfs/dbraw/zinc/65/27/18/1182652718.db2.gz INLYPYJYJLPYFV-UHFFFAOYSA-N 2 0 309.454 0.849 20 30 DCEDRP C=CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001717062293 1182659515 /nfs/dbraw/zinc/65/95/15/1182659515.db2.gz OQDZADQOEAATJC-CVEARBPZSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)C(C)(C)C[NH+]2CCOCC2)CCC1 ZINC001717152977 1182697172 /nfs/dbraw/zinc/69/71/72/1182697172.db2.gz KVCBTVNCZHBLNY-UHFFFAOYSA-N 2 0 321.465 0.997 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CCO1 ZINC001717182380 1182715706 /nfs/dbraw/zinc/71/57/06/1182715706.db2.gz DMULFTCWEUWKBG-QGZVFWFLSA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001717185546 1182717817 /nfs/dbraw/zinc/71/78/17/1182717817.db2.gz CORNPFMDSCROSF-MRXNPFEDSA-N 2 0 307.438 0.703 20 30 DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001717259171 1182754307 /nfs/dbraw/zinc/75/43/07/1182754307.db2.gz XNBKHNPSVPYFLP-KRWDZBQOSA-N 2 0 307.438 0.295 20 30 DCEDRP C=CCC[NH2+]CC1(O)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001717324381 1182782354 /nfs/dbraw/zinc/78/23/54/1182782354.db2.gz LCLAKDAWPZEESU-UHFFFAOYSA-N 2 0 307.438 0.601 20 30 DCEDRP COCC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001717626919 1182930132 /nfs/dbraw/zinc/93/01/32/1182930132.db2.gz PVDRIUYHSUELGB-MRXNPFEDSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[NH2+]CC(C)C)CC1 ZINC001717933748 1183072582 /nfs/dbraw/zinc/07/25/82/1183072582.db2.gz WTOSZHUOEGYPIZ-INIZCTEOSA-N 2 0 309.454 0.397 20 30 DCEDRP COCC#CC[NH2+]CCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001723052423 1184255220 /nfs/dbraw/zinc/25/52/20/1184255220.db2.gz PHFQOTPFHFKADA-UHFFFAOYSA-N 2 0 321.465 0.950 20 30 DCEDRP C#CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](CCO)CC1 ZINC001724065365 1184374319 /nfs/dbraw/zinc/37/43/19/1184374319.db2.gz TUDNCJDPFJOZIT-IYBDPMFKSA-N 2 0 321.465 0.778 20 30 DCEDRP C#CCC[N@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001724402895 1184431382 /nfs/dbraw/zinc/43/13/82/1184431382.db2.gz UEFIBXLNIDIICD-SFHVURJKSA-N 2 0 319.449 0.439 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001724604069 1184470464 /nfs/dbraw/zinc/47/04/64/1184470464.db2.gz VYQYGSBKWNGQQF-WBVHZDCISA-N 2 0 321.465 0.662 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CCO1 ZINC001724812742 1184569146 /nfs/dbraw/zinc/56/91/46/1184569146.db2.gz KAHJIVBHJYDQHM-IRXDYDNUSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCC[NH2+]CC1(O)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001724982460 1184643800 /nfs/dbraw/zinc/64/38/00/1184643800.db2.gz XSKSPWOVXXZINV-UHFFFAOYSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001725696162 1184948558 /nfs/dbraw/zinc/94/85/58/1184948558.db2.gz SAUPHDWKNYKEHQ-RDJZCZTQSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001731364209 1185297868 /nfs/dbraw/zinc/29/78/68/1185297868.db2.gz CAIQBEWMHFOTNI-CALCHBBNSA-N 2 0 320.481 0.616 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001731390562 1185314068 /nfs/dbraw/zinc/31/40/68/1185314068.db2.gz ADCVOVJNZKVQKD-DLBZAZTESA-N 2 0 319.449 0.462 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001731441412 1185334056 /nfs/dbraw/zinc/33/40/56/1185334056.db2.gz GDMQGNFZTGPQPU-AAVRWANBSA-N 2 0 308.426 0.008 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001731661589 1185435128 /nfs/dbraw/zinc/43/51/28/1185435128.db2.gz DTHCAXAVEQCPIM-HNNXBMFYSA-N 2 0 309.454 0.969 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001732171193 1185718799 /nfs/dbraw/zinc/71/87/99/1185718799.db2.gz RDZNFIYWSBFOIU-HNNXBMFYSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CCC[NH+]1CCC(CCNC(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC001732324581 1185765443 /nfs/dbraw/zinc/76/54/43/1185765443.db2.gz FHCKZCSKRGYQSW-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH+]1CCC(CCNC(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001732324582 1185765750 /nfs/dbraw/zinc/76/57/50/1185765750.db2.gz FHCKZCSKRGYQSW-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001732368502 1185781993 /nfs/dbraw/zinc/78/19/93/1185781993.db2.gz VSZMGFPCBFLYTB-RDJZCZTQSA-N 2 0 307.438 0.464 20 30 DCEDRP C#CCC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001733044147 1186115894 /nfs/dbraw/zinc/11/58/94/1186115894.db2.gz VOGUBSPEFNZEKF-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001733246090 1186199677 /nfs/dbraw/zinc/19/96/77/1186199677.db2.gz YKVJSXWDCMRKPQ-UHFFFAOYSA-N 2 0 303.410 0.320 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001733343623 1186234278 /nfs/dbraw/zinc/23/42/78/1186234278.db2.gz QYZNSDNNVBJODR-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001733350268 1186236358 /nfs/dbraw/zinc/23/63/58/1186236358.db2.gz LTDDHIYFWPFWKH-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CCO1 ZINC001733743460 1186427563 /nfs/dbraw/zinc/42/75/63/1186427563.db2.gz NQMHQIWUUGLCEF-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001733749518 1186430529 /nfs/dbraw/zinc/43/05/29/1186430529.db2.gz DBOBHGAFVBSTNW-OAHLLOKOSA-N 2 0 311.426 0.102 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001734167017 1186566423 /nfs/dbraw/zinc/56/64/23/1186566423.db2.gz FTHSNUCVQXLEEM-PHZGNYQRSA-N 2 0 307.438 0.272 20 30 DCEDRP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001734185709 1186573182 /nfs/dbraw/zinc/57/31/82/1186573182.db2.gz XOYURJULEJQZNQ-CABCVRRESA-N 2 0 305.422 0.311 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001734347587 1186619918 /nfs/dbraw/zinc/61/99/18/1186619918.db2.gz SUXAHSWJOZJHEA-CQSZACIVSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C[NH+]2CCCC2)C1=O ZINC001734354635 1186620848 /nfs/dbraw/zinc/62/08/48/1186620848.db2.gz LTIYGFYHMBZPGD-LSDHHAIUSA-N 2 0 322.453 0.306 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001734481621 1186663264 /nfs/dbraw/zinc/66/32/64/1186663264.db2.gz QEYKCQLMZZWQDJ-WBVHZDCISA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001734520825 1186673994 /nfs/dbraw/zinc/67/39/94/1186673994.db2.gz DIMVSDBATKACJI-HNNXBMFYSA-N 2 0 309.454 0.682 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001734528313 1186678397 /nfs/dbraw/zinc/67/83/97/1186678397.db2.gz WGTXMHMCOWJXSA-CVEARBPZSA-N 2 0 309.454 0.682 20 30 DCEDRP CC#CC[NH2+][C@H](CC)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001753473437 1188175601 /nfs/dbraw/zinc/17/56/01/1188175601.db2.gz JASNBJHSHQAUCI-CQSZACIVSA-N 2 0 305.426 0.566 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001752786624 1188441517 /nfs/dbraw/zinc/44/15/17/1188441517.db2.gz WAFRCMBATMASLM-CQSZACIVSA-N 2 0 310.442 0.069 20 30 DCEDRP C=CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001752925867 1188462803 /nfs/dbraw/zinc/46/28/03/1188462803.db2.gz DMHJLISDOGFZPN-CQSZACIVSA-N 2 0 310.442 0.069 20 30 DCEDRP CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC#CCOC ZINC001753486934 1188607742 /nfs/dbraw/zinc/60/77/42/1188607742.db2.gz CXVNPKJBASUATI-INIZCTEOSA-N 2 0 309.454 0.853 20 30 DCEDRP CCC[N@H+](C)CC(=O)NC1(C[NH2+]CC#CCOC)CCCC1 ZINC001753510085 1188611468 /nfs/dbraw/zinc/61/14/68/1188611468.db2.gz KXSHDTMAPBACRZ-UHFFFAOYSA-N 2 0 309.454 0.997 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]C[C@H](C)O)C(C)C)CC1 ZINC001753846136 1188664170 /nfs/dbraw/zinc/66/41/70/1188664170.db2.gz ZQERUJVVNMJFJT-HOCLYGCPSA-N 2 0 309.454 0.443 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001754309104 1188816110 /nfs/dbraw/zinc/81/61/10/1188816110.db2.gz HYDTVZAJDOYYTC-GOEBONIOSA-N 2 0 307.438 0.415 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001754414320 1188849433 /nfs/dbraw/zinc/84/94/33/1188849433.db2.gz ZZKCACFMTDBPLG-KBPBESRZSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]C[C@H]2CCOC2)CC1 ZINC001754416451 1188850099 /nfs/dbraw/zinc/85/00/99/1188850099.db2.gz OQDBKCFTEFLONF-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCC[NH2+]C1CCN(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001754850153 1188948159 /nfs/dbraw/zinc/94/81/59/1188948159.db2.gz VSRBSOQMVTWNJE-MRXNPFEDSA-N 2 0 320.481 0.522 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001755013507 1188996167 /nfs/dbraw/zinc/99/61/67/1188996167.db2.gz WNMPQQAMDHGCSF-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1C ZINC001755160076 1189040109 /nfs/dbraw/zinc/04/01/09/1189040109.db2.gz FGAOVFPPRYYYBF-JKSUJKDBSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001755441949 1189113770 /nfs/dbraw/zinc/11/37/70/1189113770.db2.gz LVLLAMXSDWKLBN-ZBFHGGJFSA-N 2 0 307.438 0.700 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001755587642 1189153139 /nfs/dbraw/zinc/15/31/39/1189153139.db2.gz IBLLOMYVVVLCGZ-MGPQQGTHSA-N 2 0 310.442 0.065 20 30 DCEDRP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001755801207 1189221693 /nfs/dbraw/zinc/22/16/93/1189221693.db2.gz WQVVZVYTJZWQJY-CVEARBPZSA-N 2 0 307.438 0.103 20 30 DCEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001755850076 1189235260 /nfs/dbraw/zinc/23/52/60/1189235260.db2.gz DPWYKDXDCHDLBG-CVEARBPZSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106980821 751706565 /nfs/dbraw/zinc/70/65/65/751706565.db2.gz BTHRGIQAVOFOQK-OWCLPIDISA-N 2 0 307.438 0.272 20 30 DCEDRP C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H](CC)[NH+](C)C)C2)nn1 ZINC001105328832 748139621 /nfs/dbraw/zinc/13/96/21/748139621.db2.gz YYCYUUKYPAVDRE-HNNXBMFYSA-N 2 0 320.441 0.667 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]C[C@H](C)O)C2)CC1 ZINC001086558320 761912692 /nfs/dbraw/zinc/91/26/92/761912692.db2.gz BTIGVMSVTOQYQP-DZKIICNBSA-N 2 0 307.438 0.197 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCCCC[C@H]([NH2+]CCO)C2)CC1 ZINC001088430273 749438370 /nfs/dbraw/zinc/43/83/70/749438370.db2.gz LBUKIYYFNHXRHR-KRWDZBQOSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccn3c(C)cnc3c2)[C@@H](O)C1 ZINC001083461083 749797968 /nfs/dbraw/zinc/79/79/68/749797968.db2.gz MFACKRFMJVSCNM-CABCVRRESA-N 2 0 312.373 0.441 20 30 DCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077127972 750214660 /nfs/dbraw/zinc/21/46/60/750214660.db2.gz RQLYFEHLCGZNTK-ARFHVFGLSA-N 2 0 309.454 0.702 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106882609 751337740 /nfs/dbraw/zinc/33/77/40/751337740.db2.gz XRTRBYGINYIQHA-HZPDHXFCSA-N 2 0 319.449 0.416 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCO)C[C@@H]2C)CC1 ZINC001044872025 752909393 /nfs/dbraw/zinc/90/93/93/752909393.db2.gz MUPYIMBYFWSIHJ-GOEBONIOSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC(C)C)C[C@H]2O)CC1 ZINC001078227119 753122490 /nfs/dbraw/zinc/12/24/90/753122490.db2.gz JUMVJLKMVUHCSQ-IAGOWNOFSA-N 2 0 321.465 0.539 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046082979 753471940 /nfs/dbraw/zinc/47/19/40/753471940.db2.gz ZINXALHOPUEFSM-KRWDZBQOSA-N 2 0 320.481 0.877 20 30 DCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001083831538 753956637 /nfs/dbraw/zinc/95/66/37/753956637.db2.gz QDXRNGKPJFTPQU-OAGGEKHMSA-N 2 0 309.454 0.988 20 30 DCEDRP CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001047501808 754338429 /nfs/dbraw/zinc/33/84/29/754338429.db2.gz WDYJQQILTZOCQT-VGWMRTNUSA-N 2 0 307.438 0.244 20 30 DCEDRP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001047501856 754339194 /nfs/dbraw/zinc/33/91/94/754339194.db2.gz YEDJAXXWWXHUPF-VGWMRTNUSA-N 2 0 309.454 0.796 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047511904 754346298 /nfs/dbraw/zinc/34/62/98/754346298.db2.gz YAUQZNKCSLVFEM-HOTGVXAUSA-N 2 0 309.454 0.798 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC001082558560 757186204 /nfs/dbraw/zinc/18/62/04/757186204.db2.gz XKXOKAKHLFGPOM-DJIMGWMZSA-N 2 0 319.449 0.700 20 30 DCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)CC1 ZINC001050633349 757913181 /nfs/dbraw/zinc/91/31/81/757913181.db2.gz RJCRKHPIKZVKCV-INIZCTEOSA-N 2 0 319.449 0.653 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC#C)CC3)[C@@H]2C1 ZINC001084851356 758082413 /nfs/dbraw/zinc/08/24/13/758082413.db2.gz YTAKZHIJCYISBE-QZTJIDSGSA-N 2 0 313.445 0.888 20 30 DCEDRP C=C(C)C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001051996480 759099874 /nfs/dbraw/zinc/09/98/74/759099874.db2.gz NGRLGBXNBYEISN-SJORKVTESA-N 2 0 320.481 0.875 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147824500 767852842 /nfs/dbraw/zinc/85/28/42/767852842.db2.gz KHBJXHPCSDVAAC-KBPBESRZSA-N 2 0 310.442 0.115 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147900205 767878411 /nfs/dbraw/zinc/87/84/11/767878411.db2.gz JVVAMRAYYPNLRP-OAHLLOKOSA-N 2 0 322.453 0.235 20 30 DCEDRP C#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001070435882 761236437 /nfs/dbraw/zinc/23/64/37/761236437.db2.gz UWMUFUAXIQJTRO-KGLIPLIRSA-N 2 0 315.421 0.400 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1c1cncn1C ZINC001070692031 761399205 /nfs/dbraw/zinc/39/92/05/761399205.db2.gz YUUYETAHUJJWLW-KFWWJZLASA-N 2 0 317.437 0.278 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100140709 761685003 /nfs/dbraw/zinc/68/50/03/761685003.db2.gz AJBUQNTUGHRQSB-IAGOWNOFSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC001099301503 762859499 /nfs/dbraw/zinc/85/94/99/762859499.db2.gz JJEBIBRNHHIOJP-CHWSQXEVSA-N 2 0 317.355 0.940 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001099307665 762860473 /nfs/dbraw/zinc/86/04/73/762860473.db2.gz KJHYJEUYFBQXSP-UTUOFQBUSA-N 2 0 305.344 0.939 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099330696 762865235 /nfs/dbraw/zinc/86/52/35/762865235.db2.gz COALONZCLRJUCB-JHJVBQTASA-N 2 0 317.355 0.940 20 30 DCEDRP COCC#CC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430901 762941353 /nfs/dbraw/zinc/94/13/53/762941353.db2.gz ZJMPLGZIDIIHOF-MRXNPFEDSA-N 2 0 307.438 0.749 20 30 DCEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100075930 763285148 /nfs/dbraw/zinc/28/51/48/763285148.db2.gz CKCUCBQOEHGBLG-GJZGRUSLSA-N 2 0 313.442 0.082 20 30 DCEDRP C=CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100141543 763347037 /nfs/dbraw/zinc/34/70/37/763347037.db2.gz VPNMUBCELKDUIE-JKSUJKDBSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100141108 763348211 /nfs/dbraw/zinc/34/82/11/763348211.db2.gz LWCUBYODHKXGNZ-DLBZAZTESA-N 2 0 321.465 0.827 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130708637 763455267 /nfs/dbraw/zinc/45/52/67/763455267.db2.gz BUFJEQYTABEYAJ-CABCVRRESA-N 2 0 324.469 0.503 20 30 DCEDRP C=CCOCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101460777 764103048 /nfs/dbraw/zinc/10/30/48/764103048.db2.gz XAXGGBDYWANXFX-JZXOWHBKSA-N 2 0 321.465 0.921 20 30 DCEDRP C#CC[N@H+]1C[C@@H](CNC(=O)COC[C@H](C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102384880 764623412 /nfs/dbraw/zinc/62/34/12/764623412.db2.gz GQSGQYXMMVITGG-IXDOHACOSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1=O ZINC001133419702 764958338 /nfs/dbraw/zinc/95/83/38/764958338.db2.gz VGUQBPZUBPMFHS-UONOGXRCSA-N 2 0 310.442 0.065 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583476 765580694 /nfs/dbraw/zinc/58/06/94/765580694.db2.gz LFMZKOBJUXBOBU-KBPBESRZSA-N 2 0 324.469 0.646 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115143779 765606448 /nfs/dbraw/zinc/60/64/48/765606448.db2.gz KVQCEYUBOXYKKT-QLPKVWCKSA-N 2 0 307.438 0.415 20 30 DCEDRP COCC#CC[NH2+]CCNC(=O)CCn1ccnc1C(C)C ZINC001134723501 765644423 /nfs/dbraw/zinc/64/44/23/765644423.db2.gz LMSAKOJNHUBZAZ-UHFFFAOYSA-N 2 0 306.410 0.752 20 30 DCEDRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001124873223 768319365 /nfs/dbraw/zinc/31/93/65/768319365.db2.gz UBGPEFPUSBPGAZ-HNNXBMFYSA-N 2 0 304.369 0.997 20 30 DCEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001170842074 766043313 /nfs/dbraw/zinc/04/33/13/766043313.db2.gz NYDRCTDWJPEXEJ-HNNXBMFYSA-N 2 0 319.453 0.956 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)C[NH+]2CCC(C)CC2)C1=O ZINC001135688563 766050556 /nfs/dbraw/zinc/05/05/56/766050556.db2.gz WFMKNKIYBBAHIW-HNNXBMFYSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001135804904 766124484 /nfs/dbraw/zinc/12/44/84/766124484.db2.gz QWAQLPMUDASOGX-CABCVRRESA-N 2 0 309.454 0.993 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135882173 766150134 /nfs/dbraw/zinc/15/01/34/766150134.db2.gz IOZIOUYAPYABQJ-KGLIPLIRSA-N 2 0 312.458 0.503 20 30 DCEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090542225 766304732 /nfs/dbraw/zinc/30/47/32/766304732.db2.gz BOLBLPHPCKLTEE-HZPDHXFCSA-N 2 0 309.454 0.846 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090610924 766371830 /nfs/dbraw/zinc/37/18/30/766371830.db2.gz WTKXODCAMGFVHG-JKSUJKDBSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001090671030 766452477 /nfs/dbraw/zinc/45/24/77/766452477.db2.gz FUXXYSYGUFDVMM-CVEARBPZSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCOC)CC1 ZINC001146612078 767488508 /nfs/dbraw/zinc/48/85/08/767488508.db2.gz PKJKXRZLJHHEPG-GJZGRUSLSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147724224 767831291 /nfs/dbraw/zinc/83/12/91/767831291.db2.gz HZKFUOIUMDUNJV-MRXNPFEDSA-N 2 0 319.449 0.511 20 30 DCEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092842738 768402014 /nfs/dbraw/zinc/40/20/14/768402014.db2.gz MZTMUJSPSYGTSK-MYPHYYIGSA-N 2 0 319.449 0.720 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001149841699 768878647 /nfs/dbraw/zinc/87/86/47/768878647.db2.gz IWNGVIROXUHRDS-HOTGVXAUSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149848673 768882440 /nfs/dbraw/zinc/88/24/40/768882440.db2.gz NEVYMTAOWQUXAW-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150291137 769058757 /nfs/dbraw/zinc/05/87/57/769058757.db2.gz JMIVTHKOKPAWIS-HZPDHXFCSA-N 2 0 309.454 0.803 20 30 DCEDRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCOCC[NH3+])C[C@H]1C#N ZINC001172968071 769522477 /nfs/dbraw/zinc/52/24/77/769522477.db2.gz IADJZWCTLQADLD-STQMWFEESA-N 2 0 312.414 0.843 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC001152330282 769529518 /nfs/dbraw/zinc/52/95/18/769529518.db2.gz LAOPAFYGTGBGSP-MRXNPFEDSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)COC1CC[NH+](C)CC1)C2 ZINC001095028587 769542576 /nfs/dbraw/zinc/54/25/76/769542576.db2.gz HNNPNAROLGQKKU-JYJNAYRXSA-N 2 0 319.449 0.700 20 30 DCEDRP N#Cc1cc(F)c(CN2CC[NH2+]CCNCC[NH2+]CC2)c(F)c1 ZINC001235874230 769957701 /nfs/dbraw/zinc/95/77/01/769957701.db2.gz NFLDFXCZOAGXKZ-UHFFFAOYSA-N 2 0 323.391 0.421 20 30 DCEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001175938928 769986620 /nfs/dbraw/zinc/98/66/20/769986620.db2.gz JEWFQCVFRVKMTH-OAHLLOKOSA-N 2 0 309.454 0.995 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176071202 770007905 /nfs/dbraw/zinc/00/79/05/770007905.db2.gz CWZVHJNXRQLMEN-HNNXBMFYSA-N 2 0 324.469 0.459 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2cc(C)no2)CC1 ZINC001176925798 770225372 /nfs/dbraw/zinc/22/53/72/770225372.db2.gz BRWWKESAJLHJRI-UHFFFAOYSA-N 2 0 318.421 0.924 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001178985681 770922478 /nfs/dbraw/zinc/92/24/78/770922478.db2.gz UFFHTHSKHGFZLZ-CBBWQLFWSA-N 2 0 322.453 0.044 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179935326 771036760 /nfs/dbraw/zinc/03/67/60/771036760.db2.gz BJLYHVYEKJSMJB-KKUMJFAQSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@@H](C)COC)[C@@H]2C)CC1 ZINC001180203926 771073709 /nfs/dbraw/zinc/07/37/09/771073709.db2.gz BWXSPCQLKVUUSN-ZOBUZTSGSA-N 2 0 321.465 0.946 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCOC)[C@@H]2C)CC1 ZINC001180204634 771074026 /nfs/dbraw/zinc/07/40/26/771074026.db2.gz WNRJMVSYFPRCCL-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP C=C(C[NH+]1CCCC1)C(=O)NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001183086560 771602171 /nfs/dbraw/zinc/60/21/71/771602171.db2.gz XNYPFSBMSBVPLE-FMKPAKJESA-N 2 0 311.426 0.479 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001185610157 771935246 /nfs/dbraw/zinc/93/52/46/771935246.db2.gz SJBRPGLGPJOYPP-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC12CCOCC2 ZINC001186480849 772045257 /nfs/dbraw/zinc/04/52/57/772045257.db2.gz FMRZFJFDGRBVFL-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CC12CCOCC2 ZINC001186530932 772052994 /nfs/dbraw/zinc/05/29/94/772052994.db2.gz RQIDULCLARCSAW-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161051802 772159594 /nfs/dbraw/zinc/15/95/94/772159594.db2.gz BUXWAJLSOZMFMK-KGLIPLIRSA-N 2 0 310.442 0.257 20 30 DCEDRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3ccccc3C#N)C[C@@H]21 ZINC001161082845 772163569 /nfs/dbraw/zinc/16/35/69/772163569.db2.gz PLLGRJSHTHARSH-ULQDDVLXSA-N 2 0 312.417 0.981 20 30 DCEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001164596791 772686779 /nfs/dbraw/zinc/68/67/79/772686779.db2.gz RXDDUMCMEQDGTK-HZPDHXFCSA-N 2 0 319.449 0.749 20 30 DCEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001164596789 772686952 /nfs/dbraw/zinc/68/69/52/772686952.db2.gz RXDDUMCMEQDGTK-CVEARBPZSA-N 2 0 319.449 0.749 20 30 DCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001191431957 772767894 /nfs/dbraw/zinc/76/78/94/772767894.db2.gz XJJRJDYAUACXFH-GARNVTTQSA-N 2 0 317.433 0.406 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C)C1=O ZINC001166858026 772871552 /nfs/dbraw/zinc/87/15/52/772871552.db2.gz LBYDWIDWGCJGFS-KBPBESRZSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152487 772875845 /nfs/dbraw/zinc/87/58/45/772875845.db2.gz HWLQXNVWHMKPCO-KBPBESRZSA-N 2 0 310.442 0.162 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC#CCOC)C12CCC2 ZINC001203576993 772914454 /nfs/dbraw/zinc/91/44/54/772914454.db2.gz MJPCRXROJXLUQZ-HOTGVXAUSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193280999 773037808 /nfs/dbraw/zinc/03/78/08/773037808.db2.gz ZCGHLXVHMBOJHM-GJZGRUSLSA-N 2 0 324.469 0.552 20 30 DCEDRP C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001193446958 773061154 /nfs/dbraw/zinc/06/11/54/773061154.db2.gz FKKOOFVSHGNHOT-BFHYXJOUSA-N 2 0 301.406 0.404 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H](C)COC)C2)CC1 ZINC001194245560 773167502 /nfs/dbraw/zinc/16/75/02/773167502.db2.gz CMYWTUNCYAWUAF-DOTOQJQBSA-N 2 0 321.465 0.899 20 30 DCEDRP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001195221789 773351503 /nfs/dbraw/zinc/35/15/03/773351503.db2.gz HCFVFRQFHCNXST-HUUCEWRRSA-N 2 0 309.454 0.988 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209314307 773590289 /nfs/dbraw/zinc/59/02/89/773590289.db2.gz IECGUSJFMAIWGO-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209447414 773605888 /nfs/dbraw/zinc/60/58/88/773605888.db2.gz ZZEFMQKHXVAPAO-UONOGXRCSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCNC(=O)CN1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196943085 773673471 /nfs/dbraw/zinc/67/34/71/773673471.db2.gz KXHXEBZXSOSGNV-UHFFFAOYSA-N 2 0 322.453 0.165 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@H]2CC[C@@H](C)O2)CC1 ZINC001152324568 773727324 /nfs/dbraw/zinc/72/73/24/773727324.db2.gz XDLOHETVSQIQRS-GDBMZVCRSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213934194 773904792 /nfs/dbraw/zinc/90/47/92/773904792.db2.gz MAUVHNQYDACUOV-ZACQAIPSSA-N 2 0 321.465 0.946 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214889557 774022307 /nfs/dbraw/zinc/02/23/07/774022307.db2.gz MQSMGPHRSSJQSW-BRWVUGGUSA-N 2 0 321.465 0.947 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071267 774023825 /nfs/dbraw/zinc/02/38/25/774023825.db2.gz QRLCYKNKBTVEHF-HZPDHXFCSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216465031 774118353 /nfs/dbraw/zinc/11/83/53/774118353.db2.gz XETJUYKOLJPMBL-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218725022 774289369 /nfs/dbraw/zinc/28/93/69/774289369.db2.gz NAKHKGLLQISOOB-BDJLRTHQSA-N 2 0 301.394 0.851 20 30 DCEDRP N#Cc1nc2ccc(NC(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)cc2s1 ZINC001218910253 774324880 /nfs/dbraw/zinc/32/48/80/774324880.db2.gz GYLCSZJTPLRDSD-JTQLQIEISA-N 2 0 313.386 0.915 20 30 DCEDRP CC(=O)Nc1ccc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cc1C#N ZINC001218916058 774325766 /nfs/dbraw/zinc/32/57/66/774325766.db2.gz YZALLCLWCWQCFF-ZDUSSCGKSA-N 2 0 313.361 0.264 20 30 DCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200528241 774362273 /nfs/dbraw/zinc/36/22/73/774362273.db2.gz IHIJZJVNQFCJSE-JKSUJKDBSA-N 2 0 307.438 0.721 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CCCO1 ZINC001200850485 774416465 /nfs/dbraw/zinc/41/64/65/774416465.db2.gz HQZFVXCEUXSEDI-HNNXBMFYSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)c2occc2C[NH+](C)C)CCCO1 ZINC001201259630 774478770 /nfs/dbraw/zinc/47/87/70/774478770.db2.gz CHRFLIMXRPZRFU-HNNXBMFYSA-N 2 0 319.405 0.795 20 30 DCEDRP C=CCOCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201334184 774494081 /nfs/dbraw/zinc/49/40/81/774494081.db2.gz GTPZGLADZROGQI-HNNXBMFYSA-N 2 0 313.442 0.348 20 30 DCEDRP C=CCCCCC[C@H]([NH3+])C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219746261 774596663 /nfs/dbraw/zinc/59/66/63/774596663.db2.gz HMSIMEXAYCESCJ-ZDUSSCGKSA-N 2 0 320.441 0.851 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001202495614 774721131 /nfs/dbraw/zinc/72/11/31/774721131.db2.gz GVPQOZGUDLWEME-AWEZNQCLSA-N 2 0 322.453 0.211 20 30 DCEDRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O ZINC001220284824 774758079 /nfs/dbraw/zinc/75/80/79/774758079.db2.gz XFDDBZIGVQNTKE-SNVBAGLBSA-N 2 0 321.764 0.698 20 30 DCEDRP C=CCOCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001202504562 774770549 /nfs/dbraw/zinc/77/05/49/774770549.db2.gz UPASTQZZHIFXMT-HOCLYGCPSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)[C@@H](O)C1 ZINC001220568702 774846891 /nfs/dbraw/zinc/84/68/91/774846891.db2.gz ZONVNKCVYYOIDU-CVEARBPZSA-N 2 0 309.454 0.683 20 30 DCEDRP C#CC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220607333 774863781 /nfs/dbraw/zinc/86/37/81/774863781.db2.gz KBAPKFOQQBQFQV-NWDGAFQWSA-N 2 0 310.195 0.916 20 30 DCEDRP C#CC[C@]1(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)CCC[NH2+]1 ZINC001220805682 774920304 /nfs/dbraw/zinc/92/03/04/774920304.db2.gz UVRIZTPQXXSAMB-GMXVVIOVSA-N 2 0 303.328 0.789 20 30 DCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091393 774993445 /nfs/dbraw/zinc/99/34/45/774993445.db2.gz MWVCSTFYBWLCNM-OWCLPIDISA-N 2 0 309.454 0.844 20 30 DCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221408607 775092238 /nfs/dbraw/zinc/09/22/38/775092238.db2.gz JJLPMATVIROEII-IRXDYDNUSA-N 2 0 312.417 0.932 20 30 DCEDRP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222013441 775246009 /nfs/dbraw/zinc/24/60/09/775246009.db2.gz DULWFKDUOMXOPG-BZUAXINKSA-N 2 0 307.438 0.673 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224129107 775539849 /nfs/dbraw/zinc/53/98/49/775539849.db2.gz DXEDYDSEWWREOK-SJORKVTESA-N 2 0 319.449 0.655 20 30 DCEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111197073 775589250 /nfs/dbraw/zinc/58/92/50/775589250.db2.gz HHGGRTMJNGIJCN-OIISXLGYSA-N 2 0 319.449 0.842 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001226608458 775845169 /nfs/dbraw/zinc/84/51/69/775845169.db2.gz IIJRAEUWSADTCM-ZFWWWQNUSA-N 2 0 322.453 0.352 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001227961382 776030551 /nfs/dbraw/zinc/03/05/51/776030551.db2.gz VJGVLCPGSRXLIH-DZGCQCFKSA-N 2 0 324.469 0.598 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114746243 776094478 /nfs/dbraw/zinc/09/44/78/776094478.db2.gz OMRRUHFHRRMEET-NYTXWWLZSA-N 2 0 322.453 0.065 20 30 DCEDRP COCC#CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001229185900 776168130 /nfs/dbraw/zinc/16/81/30/776168130.db2.gz QEHBYRBQKNWEIM-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCOCC[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001230047306 776247037 /nfs/dbraw/zinc/24/70/37/776247037.db2.gz YZWAHUMHQTWMNC-UHFFFAOYSA-N 2 0 307.438 0.865 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001230141365 776257600 /nfs/dbraw/zinc/25/76/00/776257600.db2.gz HXOIVHOGVGRQPV-HZPDHXFCSA-N 2 0 307.438 0.749 20 30 DCEDRP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041288698 777180977 /nfs/dbraw/zinc/18/09/77/777180977.db2.gz ZPHUWAHGBJPLFM-FUHWJXTLSA-N 2 0 301.434 0.886 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001317647549 945141288 /nfs/dbraw/zinc/14/12/88/945141288.db2.gz VTGAGXGYRUZPKN-UHFFFAOYSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001317854266 945209867 /nfs/dbraw/zinc/20/98/67/945209867.db2.gz OOKRXZFHNXCYKW-GJZGRUSLSA-N 2 0 324.469 0.409 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001278307816 945215574 /nfs/dbraw/zinc/21/55/74/945215574.db2.gz HZGWEEBQSPUMLO-ZIAGYGMSSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001266531146 939153746 /nfs/dbraw/zinc/15/37/46/939153746.db2.gz UNUGRFDFZIUSDJ-LSDHHAIUSA-N 2 0 322.453 0.354 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001267056825 939325729 /nfs/dbraw/zinc/32/57/29/939325729.db2.gz WIGBEVORYNUPST-ULQDDVLXSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001267139697 939356043 /nfs/dbraw/zinc/35/60/43/939356043.db2.gz LLUFGTRXDVYELK-OAHLLOKOSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)[C@@H](CC)C(N)=O)CC1 ZINC001267256949 939405280 /nfs/dbraw/zinc/40/52/80/939405280.db2.gz JHFSSTQXAMTVQG-HNNXBMFYSA-N 2 0 322.453 0.034 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001267570656 939511022 /nfs/dbraw/zinc/51/10/22/939511022.db2.gz QYOUBOAPXYWFSN-MRXNPFEDSA-N 2 0 309.454 0.806 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267601920 939544563 /nfs/dbraw/zinc/54/45/63/939544563.db2.gz TYXBUEYPJPHZEJ-CVEARBPZSA-N 2 0 307.438 0.416 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001481247687 939669744 /nfs/dbraw/zinc/66/97/44/939669744.db2.gz SZCFXBFMJWGAQI-KBPBESRZSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)C[NH+]2CCCC2)C1=O ZINC001268100509 939947261 /nfs/dbraw/zinc/94/72/61/939947261.db2.gz NPHRMWXNAJYLRX-GJZGRUSLSA-N 2 0 322.453 0.306 20 30 DCEDRP C#CC[NH2+]C[C@H](O)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001268318854 940056514 /nfs/dbraw/zinc/05/65/14/940056514.db2.gz RSXANFLUBDXMPX-HNNXBMFYSA-N 2 0 303.406 0.104 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001481847834 940159024 /nfs/dbraw/zinc/15/90/24/940159024.db2.gz IXHPJPIPQVXNIG-DZGCQCFKSA-N 2 0 324.469 0.503 20 30 DCEDRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC#CCOC)CC1 ZINC001482026073 940210081 /nfs/dbraw/zinc/21/00/81/940210081.db2.gz FQEGBLYVCBQGCS-WKILWMFISA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+]C[C@H](O)C[NH+](CC)CC ZINC001245998978 945310875 /nfs/dbraw/zinc/31/08/75/945310875.db2.gz IBEXETMKHPMRTM-GJZGRUSLSA-N 2 0 315.458 0.506 20 30 DCEDRP C=CCN1C(=O)COCC12C[NH+](CC1CC[NH+](CC)CC1)C2 ZINC001273143983 945322736 /nfs/dbraw/zinc/32/27/36/945322736.db2.gz NGEHIPIKLYDTQJ-UHFFFAOYSA-N 2 0 307.438 0.818 20 30 DCEDRP C=CCNC(=O)[C@H](C)N1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001269268571 940667644 /nfs/dbraw/zinc/66/76/44/940667644.db2.gz NMVCYERRBSYFGU-GJZGRUSLSA-N 2 0 324.469 0.552 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+][C@H](C)COC)CC1 ZINC001270193972 940853437 /nfs/dbraw/zinc/85/34/37/940853437.db2.gz NVZCBMITKIUQRX-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001482339027 941005664 /nfs/dbraw/zinc/00/56/64/941005664.db2.gz MIFOKURLQWPVMZ-CQSZACIVSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001482691256 941625876 /nfs/dbraw/zinc/62/58/76/941625876.db2.gz BSABBBAMFVZTLE-ZBFHGGJFSA-N 2 0 307.438 0.605 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001482785354 941670522 /nfs/dbraw/zinc/67/05/22/941670522.db2.gz SHXVZGOGFMAECH-INIZCTEOSA-N 2 0 307.438 0.198 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001272330988 942691792 /nfs/dbraw/zinc/69/17/92/942691792.db2.gz AGIMYGNABHQLGH-HZPDHXFCSA-N 2 0 307.438 0.607 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001484355317 943333664 /nfs/dbraw/zinc/33/36/64/943333664.db2.gz FQPSAEFPYQCUSJ-HOTGVXAUSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH2+]CC[C@@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001484551480 943449836 /nfs/dbraw/zinc/44/98/36/943449836.db2.gz JSJJLMFAFNPRJX-MRXNPFEDSA-N 2 0 301.434 0.793 20 30 DCEDRP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001484849854 943596242 /nfs/dbraw/zinc/59/62/42/943596242.db2.gz ZTGZTWSULDZAQR-RDJZCZTQSA-N 2 0 309.454 0.847 20 30 DCEDRP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001485641016 944060299 /nfs/dbraw/zinc/06/02/99/944060299.db2.gz NPTZTLOVLJCDKV-CVEARBPZSA-N 2 0 319.449 0.844 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC#CCOC ZINC001485883425 944380358 /nfs/dbraw/zinc/38/03/58/944380358.db2.gz SQXRVEMNYNHHGE-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001486133475 944587397 /nfs/dbraw/zinc/58/73/97/944587397.db2.gz COCKVOPZNQHBRL-KGLIPLIRSA-N 2 0 310.442 0.208 20 30 DCEDRP CC#CCN1CC[NH+](CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001316961487 944686172 /nfs/dbraw/zinc/68/61/72/944686172.db2.gz LPMYGTMMMXEYSV-KRWDZBQOSA-N 2 0 320.481 0.475 20 30 DCEDRP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001317039957 944755086 /nfs/dbraw/zinc/75/50/86/944755086.db2.gz NXNJNIGICXFQQF-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001317063842 944769505 /nfs/dbraw/zinc/76/95/05/944769505.db2.gz FRADPKUWNGXFKK-HNNXBMFYSA-N 2 0 303.410 0.272 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001317090077 944790079 /nfs/dbraw/zinc/79/00/79/944790079.db2.gz LLBRMGJEHXPVHK-WKILWMFISA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)C1=O ZINC001317128428 944813819 /nfs/dbraw/zinc/81/38/19/944813819.db2.gz OOHQCVRYHSHFND-ZNMIVQPWSA-N 2 0 322.453 0.350 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001317128430 944815639 /nfs/dbraw/zinc/81/56/39/944815639.db2.gz OPJOOSSRICVZAF-IYBDPMFKSA-N 2 0 307.438 0.749 20 30 DCEDRP C=CCN1CC[C@@]2(CCC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1=O ZINC001246704924 945464782 /nfs/dbraw/zinc/46/47/82/945464782.db2.gz QKJXEKIGSVQANY-NVXWUHKLSA-N 2 0 318.465 0.581 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001319271336 945538662 /nfs/dbraw/zinc/53/86/62/945538662.db2.gz YZALHGYRLQOLRW-ZIAGYGMSSA-N 2 0 322.453 0.115 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001319592103 945626811 /nfs/dbraw/zinc/62/68/11/945626811.db2.gz GYBPHAIXOOIXSN-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001323459954 947092453 /nfs/dbraw/zinc/09/24/53/947092453.db2.gz PGEOQTOXTYCELQ-ZDUSSCGKSA-N 2 0 322.453 0.400 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCOCC1 ZINC001325006001 947608144 /nfs/dbraw/zinc/60/81/44/947608144.db2.gz WYRGYNXQYAGATJ-HNNXBMFYSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001325099088 947653158 /nfs/dbraw/zinc/65/31/58/947653158.db2.gz VHFTWQSKESDCMF-RDJZCZTQSA-N 2 0 307.438 0.457 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001263099667 947807709 /nfs/dbraw/zinc/80/77/09/947807709.db2.gz QUJLMEHDNZHFEK-CABCVRRESA-N 2 0 324.469 0.729 20 30 DCEDRP C#CC[NH2+]CC(=O)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC001263110436 947811056 /nfs/dbraw/zinc/81/10/56/947811056.db2.gz VWTFPNDAOMWNSI-ZBFHGGJFSA-N 2 0 303.381 0.858 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001273465713 947905523 /nfs/dbraw/zinc/90/55/23/947905523.db2.gz LTVHZAWIEFBKJV-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001326053844 948034369 /nfs/dbraw/zinc/03/43/69/948034369.db2.gz ZSAGILJDDQHILY-INIZCTEOSA-N 2 0 309.454 0.541 20 30 DCEDRP C=CCN1CC[C@]2(CCC[N@H+]2CCCN2CC[NH+](C)CC2)C1=O ZINC001273728296 948051231 /nfs/dbraw/zinc/05/12/31/948051231.db2.gz LAPCVTAWCAELPT-GOSISDBHSA-N 2 0 320.481 0.877 20 30 DCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC001326589081 948206863 /nfs/dbraw/zinc/20/68/63/948206863.db2.gz NOMRCFGMNBZNSE-BARDWOONSA-N 2 0 308.426 0.895 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)CCO1 ZINC001326988135 948353904 /nfs/dbraw/zinc/35/39/04/948353904.db2.gz KRTYXVNZNTVLKV-KGLIPLIRSA-N 2 0 301.406 0.669 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001327603297 948566322 /nfs/dbraw/zinc/56/63/22/948566322.db2.gz LXRRIFYWDRQUTJ-WBVHZDCISA-N 2 0 309.454 0.539 20 30 DCEDRP C=CCCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001327607556 948570987 /nfs/dbraw/zinc/57/09/87/948570987.db2.gz ORWYTSSJLSPAQD-NVXWUHKLSA-N 2 0 309.454 0.847 20 30 DCEDRP C=CCC[NH2+]CC1(O)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001328208318 948746937 /nfs/dbraw/zinc/74/69/37/948746937.db2.gz YLCFPOBYMKKZAC-OAHLLOKOSA-N 2 0 309.454 0.847 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001263865666 948789063 /nfs/dbraw/zinc/78/90/63/948789063.db2.gz QEBODPYWFOPTHX-RBSFLKMASA-N 2 0 300.406 0.953 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001263865665 948789526 /nfs/dbraw/zinc/78/95/26/948789526.db2.gz QEBODPYWFOPTHX-KKUMJFAQSA-N 2 0 300.406 0.953 20 30 DCEDRP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001264077988 948863391 /nfs/dbraw/zinc/86/33/91/948863391.db2.gz AKHDGAPPDIUZFU-OAHLLOKOSA-N 2 0 307.438 0.247 20 30 DCEDRP C=C(C)C[NH+]1CCC(CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001328530700 948946517 /nfs/dbraw/zinc/94/65/17/948946517.db2.gz SCZWRHHJJKRRJH-INIZCTEOSA-N 2 0 321.465 0.847 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1OCC ZINC001264536244 948997613 /nfs/dbraw/zinc/99/76/13/948997613.db2.gz PUJULKABTIVEMZ-HZPDHXFCSA-N 2 0 319.449 0.559 20 30 DCEDRP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001264583898 949018672 /nfs/dbraw/zinc/01/86/72/949018672.db2.gz FSFQSLQLGYTNFH-UHFFFAOYSA-N 2 0 307.398 0.414 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[N@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001265104486 949309646 /nfs/dbraw/zinc/30/96/46/949309646.db2.gz UOSNDIYLABHOOZ-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001489160576 949568619 /nfs/dbraw/zinc/56/86/19/949568619.db2.gz JZJSSFYOZYLWCG-BRWVUGGUSA-N 2 0 321.465 0.635 20 30 DCEDRP CC#CC[NH2+][C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)C1CC1 ZINC001265374844 949639764 /nfs/dbraw/zinc/63/97/64/949639764.db2.gz VTYROUQHBAVFNG-INIZCTEOSA-N 2 0 317.437 0.566 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001265483016 949719984 /nfs/dbraw/zinc/71/99/84/949719984.db2.gz GQQJKMFCFOOPRP-AJNGGQMLSA-N 2 0 324.469 0.500 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001490306055 950515452 /nfs/dbraw/zinc/51/54/52/950515452.db2.gz MVRLXQYRURIHRZ-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001279508869 950607519 /nfs/dbraw/zinc/60/75/19/950607519.db2.gz HALIHUUEXRZDOG-NVXWUHKLSA-N 2 0 307.438 0.295 20 30 DCEDRP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001330956276 950789047 /nfs/dbraw/zinc/78/90/47/950789047.db2.gz YIOGHSGUPNHGBI-CVEARBPZSA-N 2 0 309.454 0.853 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001490513178 950838606 /nfs/dbraw/zinc/83/86/06/950838606.db2.gz GFQMXZYDECNFNO-MRXNPFEDSA-N 2 0 310.486 0.883 20 30 DCEDRP C#CCC[NH2+][C@H](CNC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001490721295 951030344 /nfs/dbraw/zinc/03/03/44/951030344.db2.gz BADHIHLZDMLSIA-MRXNPFEDSA-N 2 0 307.438 0.605 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001331297450 951062485 /nfs/dbraw/zinc/06/24/85/951062485.db2.gz RREGGWKJEBIRLK-DLBZAZTESA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH2+][C@H](CO)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001331786310 951320135 /nfs/dbraw/zinc/32/01/35/951320135.db2.gz BNUWKGPYIAYHPS-XJKSGUPXSA-N 2 0 313.417 0.289 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001332390206 951626136 /nfs/dbraw/zinc/62/61/36/951626136.db2.gz DRZGHNCEDBXSFY-HNNXBMFYSA-N 2 0 324.469 0.553 20 30 DCEDRP C=C[C@@](C)(O)C[N@H+]1CCC[C@@]12CCN(Cc1cncn1C)C2=O ZINC001274617280 951745288 /nfs/dbraw/zinc/74/52/88/951745288.db2.gz WTVOQKLPRAZDPP-SJORKVTESA-N 2 0 318.421 0.924 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001332855515 951826184 /nfs/dbraw/zinc/82/61/84/951826184.db2.gz DCPGUAKYNQGXCU-UONOGXRCSA-N 2 0 324.469 0.197 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)CC#CCOC ZINC001275160812 951978101 /nfs/dbraw/zinc/97/81/01/951978101.db2.gz ROQSCCANHLVNHU-MRXNPFEDSA-N 2 0 309.454 0.901 20 30 DCEDRP CC#CC[NH2+]CC1CC(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001275299263 952049813 /nfs/dbraw/zinc/04/98/13/952049813.db2.gz NRVOLVYITISHHA-UHFFFAOYSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001281893401 953407399 /nfs/dbraw/zinc/40/73/99/953407399.db2.gz RVYRZZGWFJMRDB-CABCVRRESA-N 2 0 322.453 0.211 20 30 DCEDRP [NH3+][C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[C@@H]1C(F)(F)F ZINC001344733318 953521370 /nfs/dbraw/zinc/52/13/70/953521370.db2.gz UEBWIIHYSFDYMS-RYUDHWBXSA-N 2 0 303.328 0.728 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC#CCOC)CC1 ZINC001282243537 953531838 /nfs/dbraw/zinc/53/18/38/953531838.db2.gz XHMBVJQCWHJVAK-CVEARBPZSA-N 2 0 319.449 0.464 20 30 DCEDRP CC[C@@H](C(=O)N(C)C1CC[NH+](CC#CCOC)CC1)[NH+](C)C ZINC001479893784 954190062 /nfs/dbraw/zinc/19/00/62/954190062.db2.gz YIRKVEVBGOIENK-INIZCTEOSA-N 2 0 309.454 0.899 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001284417792 955075668 /nfs/dbraw/zinc/07/56/68/955075668.db2.gz WYOGDHIYTFMDRG-IRXDYDNUSA-N 2 0 321.465 0.826 20 30 DCEDRP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C2CC[NH+](C)CC2)n1 ZINC001316715494 960320997 /nfs/dbraw/zinc/32/09/97/960320997.db2.gz MMVNZEFHZUIYMR-UHFFFAOYSA-N 2 0 319.409 0.416 20 30 DCEDRP C=CCC[NH+]1CCN(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001316964875 960326934 /nfs/dbraw/zinc/32/69/34/960326934.db2.gz JDIMTLHVZGRTFB-UHFFFAOYSA-N 2 0 308.470 0.781 20 30 DCEDRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001379281661 962535258 /nfs/dbraw/zinc/53/52/58/962535258.db2.gz FEDFWGGWYPMJEV-RYUDHWBXSA-N 2 0 322.434 0.138 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC001379470045 962997435 /nfs/dbraw/zinc/99/74/35/962997435.db2.gz RPSHVDXQTPJKDC-OAHLLOKOSA-N 2 0 304.394 0.077 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001369482456 965054024 /nfs/dbraw/zinc/05/40/24/965054024.db2.gz LFYLDYHLDFCAKJ-AWEZNQCLSA-N 2 0 317.861 0.880 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001507029734 1015902291 /nfs/dbraw/zinc/90/22/91/1015902291.db2.gz YYJPVDAHPQOAJF-WBVHZDCISA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH2+][C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001502747448 1016054159 /nfs/dbraw/zinc/05/41/59/1016054159.db2.gz CPRGMFDCGMBCCE-HOCLYGCPSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CC=C(C)C)CC1 ZINC001507265762 1016198601 /nfs/dbraw/zinc/19/86/01/1016198601.db2.gz UJTUEIALNPHSTM-MRXNPFEDSA-N 2 0 307.438 0.365 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001507325524 1016253257 /nfs/dbraw/zinc/25/32/57/1016253257.db2.gz ARQQFMCEAFTODZ-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001421326140 1003546686 /nfs/dbraw/zinc/54/66/86/1003546686.db2.gz GFPNLRLRFCWOSZ-ZDUSSCGKSA-N 2 0 315.845 0.946 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001407855045 1004903608 /nfs/dbraw/zinc/90/36/08/1004903608.db2.gz DFAIOXGUUJLWLD-KGLIPLIRSA-N 2 0 315.845 0.898 20 30 DCEDRP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CN(CC)CCO1 ZINC001474190940 1017008683 /nfs/dbraw/zinc/00/86/83/1017008683.db2.gz PJOAPQDODJIDMB-IXDOHACOSA-N 2 0 319.449 0.796 20 30 DCEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC001422261190 1009725952 /nfs/dbraw/zinc/72/59/52/1009725952.db2.gz ANCBUZMRNCZYTM-HOTGVXAUSA-N 2 0 316.405 0.219 20 30 DCEDRP C#CC[NH2+]CCCOC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001506495321 1017322031 /nfs/dbraw/zinc/32/20/31/1017322031.db2.gz YFDLKMHFWJSYRM-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP N#Cc1ccccc1C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001445268971 1011600583 /nfs/dbraw/zinc/60/05/83/1011600583.db2.gz LKDGVXMIAGAMFK-INIZCTEOSA-N 2 0 316.405 0.221 20 30 DCEDRP C=C(Cl)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001424422905 1012492955 /nfs/dbraw/zinc/49/29/55/1012492955.db2.gz UFPFRPIZKJNOOJ-HIFRSBDPSA-N 2 0 315.845 0.634 20 30 DCEDRP C=CCOCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001479287307 1017476190 /nfs/dbraw/zinc/47/61/90/1017476190.db2.gz XBXQJMOJKBQQTH-ZNMIVQPWSA-N 2 0 311.426 0.004 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1OCC ZINC001479536747 1017579290 /nfs/dbraw/zinc/57/92/90/1017579290.db2.gz JQYXCMZWTLXPDY-OAGGEKHMSA-N 2 0 309.454 0.659 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001479566346 1017585622 /nfs/dbraw/zinc/58/56/22/1017585622.db2.gz KMMYANKWRRRAHV-UHFFFAOYSA-N 2 0 315.421 0.915 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC001479621277 1017608743 /nfs/dbraw/zinc/60/87/43/1017608743.db2.gz VORDCKAOMXUMPF-UHFFFAOYSA-N 2 0 306.410 0.918 20 30 DCEDRP C#CCC[N@@H+](C)C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001506966860 1017711193 /nfs/dbraw/zinc/71/11/93/1017711193.db2.gz GSZIELYAWRBCJF-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C2(CNC(=O)C[NH+]3CCCC3)CC2)C1=O ZINC001499447911 1017933717 /nfs/dbraw/zinc/93/37/17/1017933717.db2.gz ARGQYMZUSWFLGE-AWEZNQCLSA-N 2 0 320.437 0.108 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCCOC)CC1 ZINC001498455857 1019135373 /nfs/dbraw/zinc/13/53/73/1019135373.db2.gz KWNXHDJLMJJODO-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH2+]CCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001498559216 1019227421 /nfs/dbraw/zinc/22/74/21/1019227421.db2.gz AXBDKPDSPCMICQ-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001498641464 1019295486 /nfs/dbraw/zinc/29/54/86/1019295486.db2.gz CTAUXILBHZIINQ-AWEZNQCLSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001496481765 1019345872 /nfs/dbraw/zinc/34/58/72/1019345872.db2.gz OXVVEZAQXGCWPI-CABCVRRESA-N 2 0 324.469 0.457 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CCC1 ZINC001502025826 1019633536 /nfs/dbraw/zinc/63/35/36/1019633536.db2.gz FWZCAODNSLTDJA-HNNXBMFYSA-N 2 0 307.438 0.607 20 30 DCEDRP COCC#CC[N@H+](C)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001663336311 1174288499 /nfs/dbraw/zinc/28/84/99/1174288499.db2.gz ZFOSRAXEPNJJDR-UHFFFAOYSA-N 2 0 309.454 0.950 20 30 DCEDRP COC[C@@H](C)NC(=[NH2+])NCc1ccncc1OCCC[NH+](C)C ZINC000288783497 238441199 /nfs/dbraw/zinc/44/11/99/238441199.db2.gz WRZPOOKQXXUBFS-CYBMUJFWSA-N 2 0 323.441 0.851 20 30 DCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccn(CCC#N)n1 ZINC000120151277 395881253 /nfs/dbraw/zinc/88/12/53/395881253.db2.gz CTEOXUZAFLUZJL-UHFFFAOYSA-N 2 0 321.429 0.754 20 30 DCEDRP CC1CCN(C(=[NH2+])NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000303376434 396725053 /nfs/dbraw/zinc/72/50/53/396725053.db2.gz OIWNFRRGUHFTQY-HNNXBMFYSA-N 2 0 323.485 0.976 20 30 DCEDRP C[N@H+](CCCO)C1CCN(C(=O)NC[C@H]2CCC[NH+]2C)CC1 ZINC000330870556 396865706 /nfs/dbraw/zinc/86/57/06/396865706.db2.gz QQCWFISPWGXWMU-OAHLLOKOSA-N 2 0 312.458 0.773 20 30 DCEDRP C#CCNC(=O)CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000491202242 397500911 /nfs/dbraw/zinc/50/09/11/397500911.db2.gz NAAFPIGMGQLLFH-HZPDHXFCSA-N 2 0 306.454 0.084 20 30 DCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CCN(CC#N)CC1 ZINC000610145530 397805168 /nfs/dbraw/zinc/80/51/68/397805168.db2.gz MSXFLLMCEVQIHS-UHFFFAOYSA-N 2 0 324.473 0.109 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)CC1 ZINC000490839338 416577718 /nfs/dbraw/zinc/57/77/18/416577718.db2.gz IDXKGXKXYXKTDF-HNNXBMFYSA-N 2 0 315.421 0.367 20 30 DCEDRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424147850 416618468 /nfs/dbraw/zinc/61/84/68/416618468.db2.gz SLWCEFTWBZZIKG-CABCVRRESA-N 2 0 310.442 0.967 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](n3cc(C)cn3)C2)CC1 ZINC000491806158 416629985 /nfs/dbraw/zinc/62/99/85/416629985.db2.gz QMFXMCNGCRVHIL-INIZCTEOSA-N 2 0 315.421 0.216 20 30 DCEDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)CCCCC#N ZINC000554426858 416705770 /nfs/dbraw/zinc/70/57/70/416705770.db2.gz LFLFMKYKCUWCNX-UHFFFAOYSA-N 2 0 304.460 0.435 20 30 DCEDRP C=C[C@@H]1OCCC[C@H]1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000562678748 416870854 /nfs/dbraw/zinc/87/08/54/416870854.db2.gz WJRJOTVWKBEJMW-CABCVRRESA-N 2 0 312.458 0.855 20 30 DCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1COCC[NH2+]1)C(C)C ZINC000626937146 417176783 /nfs/dbraw/zinc/17/67/83/417176783.db2.gz OYJAPEVMXBUFIW-JKSUJKDBSA-N 2 0 324.469 0.973 20 30 DCEDRP C[C@@H]1C[NH+](CC#CC[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)C[C@H](C)[C@H]1O ZINC000661620457 418351457 /nfs/dbraw/zinc/35/14/57/418351457.db2.gz AJHCKUHZNSQKIQ-HKCPWHJYSA-N 2 0 308.466 0.887 20 30 DCEDRP CC(C)[NH+]1CCC(O)(CNC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000329943254 336097892 /nfs/dbraw/zinc/09/78/92/336097892.db2.gz WCXDVTONJIUNDM-UHFFFAOYSA-N 2 0 312.458 0.820 20 30 DCEDRP C[N@@H+]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000330215203 336125274 /nfs/dbraw/zinc/12/52/74/336125274.db2.gz GWEUUQXYKYYHGB-HZPDHXFCSA-N 2 0 324.469 0.916 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCOCC[NH+](C)C)CC1 ZINC000471642222 339350237 /nfs/dbraw/zinc/35/02/37/339350237.db2.gz AUNJQPIJRIVEEI-UHFFFAOYSA-N 2 0 312.458 0.904 20 30 DCEDRP CC[N@H+](C)CCC(=O)NCC[C@H]1CC[NH+](CC#CCOC)C1 ZINC001567711587 1160461025 /nfs/dbraw/zinc/46/10/25/1160461025.db2.gz CKGBBLOGRCDBFU-INIZCTEOSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CC(=C)Cl)CC1 ZINC001568594608 1160698357 /nfs/dbraw/zinc/69/83/57/1160698357.db2.gz BYGLTDQVULDHOS-CQSZACIVSA-N 2 0 313.829 0.151 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCO1 ZINC001570153017 1161451186 /nfs/dbraw/zinc/45/11/86/1161451186.db2.gz CFZUPPHRIDEGEU-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCNC(=O)C[N@@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001570199042 1161489371 /nfs/dbraw/zinc/48/93/71/1161489371.db2.gz VORLVZKUIPULJQ-UHFFFAOYSA-N 2 0 322.453 0.000 20 30 DCEDRP C[NH+]=C(NCCc1cccs1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262787478 526365424 /nfs/dbraw/zinc/36/54/24/526365424.db2.gz MXAOTCLXGVHGQQ-CYBMUJFWSA-N 2 0 307.467 0.455 20 30 DCEDRP C[NH+]=C(NCc1cccc(C(=O)NCC[NH+](C)C)c1)NC1CC1 ZINC000264093714 526384153 /nfs/dbraw/zinc/38/41/53/526384153.db2.gz XFBOCPXCZVIYFG-UHFFFAOYSA-N 2 0 317.437 0.805 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000186017083 526427271 /nfs/dbraw/zinc/42/72/71/526427271.db2.gz ZNUOVCHHGLDBDY-HUUCEWRRSA-N 2 0 324.469 0.733 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(N)=O)cc1 ZINC000264055104 529100435 /nfs/dbraw/zinc/10/04/35/529100435.db2.gz ALGYFMOZIYZBAK-AWEZNQCLSA-N 2 0 303.410 0.674 20 30 DCEDRP N#Cc1cc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ncn1 ZINC000575198923 546298481 /nfs/dbraw/zinc/29/84/81/546298481.db2.gz ZUWIWJMUUHWENB-UHFFFAOYSA-N 2 0 323.404 1.367 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000669464936 546974596 /nfs/dbraw/zinc/97/45/96/546974596.db2.gz LWGSNLKMVXEJPJ-DZGCQCFKSA-N 2 0 310.442 0.785 20 30 DCEDRP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC000978643941 660579432 /nfs/dbraw/zinc/57/94/32/660579432.db2.gz YUFMRYFMFBICCM-NXOAAHMSSA-N 2 0 321.465 0.966 20 30 DCEDRP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000980220441 660893501 /nfs/dbraw/zinc/89/35/01/660893501.db2.gz ZRWVBZJGGXGKLD-XHSDSOJGSA-N 2 0 301.434 0.932 20 30 DCEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N2CCOCC2)C1 ZINC000980454778 660945641 /nfs/dbraw/zinc/94/56/41/660945641.db2.gz YZURQBBRNUHCEV-CVEARBPZSA-N 2 0 307.438 0.816 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001028093518 661152955 /nfs/dbraw/zinc/15/29/55/661152955.db2.gz MRKGKZFVFUGWGC-CVEARBPZSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001023448912 657876641 /nfs/dbraw/zinc/87/66/41/657876641.db2.gz BEIZIOPLGNONCS-LSDHHAIUSA-N 2 0 300.406 0.907 20 30 DCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC000969465536 657910199 /nfs/dbraw/zinc/91/01/99/657910199.db2.gz NUDCEANBNZQNTR-CVEARBPZSA-N 2 0 307.438 0.864 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000891920834 657918519 /nfs/dbraw/zinc/91/85/19/657918519.db2.gz DTEJJFULIDTMDB-NEPJUHHUSA-N 2 0 320.359 0.720 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891921014 657919833 /nfs/dbraw/zinc/91/98/33/657919833.db2.gz HQQIFAOZHLQPQE-QGZVFWFLSA-N 2 0 314.433 0.955 20 30 DCEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000970924887 658085426 /nfs/dbraw/zinc/08/54/26/658085426.db2.gz MRJBPQORKBHZSP-OAHLLOKOSA-N 2 0 301.434 0.791 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1=O ZINC000969985447 658324608 /nfs/dbraw/zinc/32/46/08/658324608.db2.gz IOZBJFZEAPLCOO-KFWWJZLASA-N 2 0 322.453 0.304 20 30 DCEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000999180349 665592148 /nfs/dbraw/zinc/59/21/48/665592148.db2.gz GXMURTYSELGUMZ-CQSZACIVSA-N 2 0 305.426 0.825 20 30 DCEDRP C#CCN1CC([C@H](C)NC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC000970338695 658869935 /nfs/dbraw/zinc/86/99/35/658869935.db2.gz OKDAMZNGCNKLIS-JSGCOSHPSA-N 2 0 300.406 0.824 20 30 DCEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCN3CCOCC3)C[C@H]21 ZINC001026378172 659259878 /nfs/dbraw/zinc/25/98/78/659259878.db2.gz UMERZQJUFXWDPO-ARFHVFGLSA-N 2 0 307.438 0.721 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+]([C@@H](C)COC)C2)CC1 ZINC001009629014 659439480 /nfs/dbraw/zinc/43/94/80/659439480.db2.gz QZGCKQXDKIEXRE-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000999759061 665683628 /nfs/dbraw/zinc/68/36/28/665683628.db2.gz AFXWHUFGNZMQAX-DGNOSDGRSA-N 2 0 305.422 0.616 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025799089 659565007 /nfs/dbraw/zinc/56/50/07/659565007.db2.gz UYDPBWZGEIHWJA-UUAJXVIYSA-N 2 0 319.449 0.862 20 30 DCEDRP C#CCN1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000977300019 659636219 /nfs/dbraw/zinc/63/62/19/659636219.db2.gz DGIBKXMSAHJIBU-OAHLLOKOSA-N 2 0 317.437 0.518 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2C[C@@H](C)OC)CC1 ZINC001028333567 661461690 /nfs/dbraw/zinc/46/16/90/661461690.db2.gz OMXBCXIVLVUDJJ-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000895056056 662054191 /nfs/dbraw/zinc/05/41/91/662054191.db2.gz AXJABSZNSYNDTF-JKSUJKDBSA-N 2 0 322.453 0.182 20 30 DCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)COc1cccc(C#N)c1 ZINC000728611597 662407125 /nfs/dbraw/zinc/40/71/25/662407125.db2.gz QYJMNNRFKZTZBK-UHFFFAOYSA-N 2 0 318.421 0.889 20 30 DCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000986302185 662581374 /nfs/dbraw/zinc/58/13/74/662581374.db2.gz YMUIDPCZOMSLBP-UONOGXRCSA-N 2 0 303.410 0.271 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567270 666020420 /nfs/dbraw/zinc/02/04/20/666020420.db2.gz PWTPFMYBQRNEIW-DOTOQJQBSA-N 2 0 320.481 0.589 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2COCCN2CC2CCC2)CC1 ZINC001003378993 666303145 /nfs/dbraw/zinc/30/31/45/666303145.db2.gz YGXWQECEIMFFNK-KRWDZBQOSA-N 2 0 319.449 0.701 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+]([C@@H](C)COC)C2)CC1 ZINC001032205565 666438063 /nfs/dbraw/zinc/43/80/63/666438063.db2.gz AVJJQNTUYYBGFC-AWEZNQCLSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC001004201279 666475735 /nfs/dbraw/zinc/47/57/35/666475735.db2.gz LUOAFBJKRKJCAS-AWEZNQCLSA-N 2 0 307.438 0.293 20 30 DCEDRP CC[NH+]=C(NCc1nnc2n1CCC2)N[C@H]1CCN(C2CC2)C1 ZINC000083096868 666610808 /nfs/dbraw/zinc/61/08/08/666610808.db2.gz RDDICWNJJKFZPK-LBPRGKRZSA-N 2 0 317.441 0.516 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+]([C@H](C)COC)C2)CC1 ZINC001033684370 666795401 /nfs/dbraw/zinc/79/54/01/666795401.db2.gz NVSYLMRHZVLNJV-WBVHZDCISA-N 2 0 321.465 0.899 20 30 DCEDRP C#CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001032475600 667298844 /nfs/dbraw/zinc/29/88/44/667298844.db2.gz YPRUWAWKYADUIU-GJZGRUSLSA-N 2 0 305.422 0.263 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001035613164 667392879 /nfs/dbraw/zinc/39/28/79/667392879.db2.gz DZJUKBLKGNMQAW-MRXNPFEDSA-N 2 0 307.438 0.557 20 30 DCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[NH+](CC3CC3)CC1)C2 ZINC000884193977 667495017 /nfs/dbraw/zinc/49/50/17/667495017.db2.gz VTADYNCGBQHWMS-CKDBGZEDSA-N 2 0 302.422 0.680 20 30 DCEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000923329520 667506044 /nfs/dbraw/zinc/50/60/44/667506044.db2.gz VHUJODLMEIJSDX-OWCLPIDISA-N 2 0 309.454 0.894 20 30 DCEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884233177 667506528 /nfs/dbraw/zinc/50/65/28/667506528.db2.gz LAGCBWREKXOMKD-ZWNOOHQTSA-N 2 0 302.422 0.725 20 30 DCEDRP C[NH+]=C(NCCN1CCOCC1)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000104168299 667963820 /nfs/dbraw/zinc/96/38/20/667963820.db2.gz LAAVBVAXLPVZSP-OAHLLOKOSA-N 2 0 311.474 0.216 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000876737029 668499205 /nfs/dbraw/zinc/49/92/05/668499205.db2.gz OHEBRSSLDJQWCE-CQSZACIVSA-N 2 0 316.877 0.846 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000876780039 668509635 /nfs/dbraw/zinc/50/96/35/668509635.db2.gz BGLFIELPWHFAFE-OLZOCXBDSA-N 2 0 302.850 0.599 20 30 DCEDRP C#CC[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000775400225 668861899 /nfs/dbraw/zinc/86/18/99/668861899.db2.gz XRCYHLRBDLJNQD-QZTJIDSGSA-N 2 0 301.434 0.949 20 30 DCEDRP CC#CCN1CCOC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000949317588 670311444 /nfs/dbraw/zinc/31/14/44/670311444.db2.gz SYAUDWCREZERHQ-MRXNPFEDSA-N 2 0 319.449 0.797 20 30 DCEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852882917 671184289 /nfs/dbraw/zinc/18/42/89/671184289.db2.gz SIDKWTHNOGFEJW-UHFFFAOYSA-N 3 0 322.497 0.721 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CCCO)CC1 ZINC001024811991 693836382 /nfs/dbraw/zinc/83/63/82/693836382.db2.gz IMVSVBCGDSUIED-QGZVFWFLSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CC[NH2+]C1CCC(NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001026496248 693871920 /nfs/dbraw/zinc/87/19/20/693871920.db2.gz SGQZRMGFMLLFMR-UHFFFAOYSA-N 2 0 317.437 0.709 20 30 DCEDRP COCCNC(=[NH2+])NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000304020039 685209723 /nfs/dbraw/zinc/20/97/23/685209723.db2.gz XWLOTWQJQVTJRX-UHFFFAOYSA-N 2 0 320.437 0.694 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1CNC(NCCN1CCOCC1)=[NH+]C ZINC000304669177 685210574 /nfs/dbraw/zinc/21/05/74/685210574.db2.gz BRZCDQOVDYLFPO-HNNXBMFYSA-N 2 0 311.474 0.358 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[S@@](=O)C(C)(C)C ZINC000304752762 685212105 /nfs/dbraw/zinc/21/21/05/685212105.db2.gz KOOFRNBAEAZTQZ-FKIZINRSSA-N 2 0 302.488 0.922 20 30 DCEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC000958219011 687450515 /nfs/dbraw/zinc/45/05/15/687450515.db2.gz GXRQVTXVCYGFGH-UKRRQHHQSA-N 2 0 300.362 0.543 20 30 DCEDRP C#CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958222678 687454811 /nfs/dbraw/zinc/45/48/11/687454811.db2.gz FWJSUQUHWBXWIY-ZBFHGGJFSA-N 2 0 312.373 0.380 20 30 DCEDRP CC#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958222511 687454889 /nfs/dbraw/zinc/45/48/89/687454889.db2.gz FANAXUIAQPVFHD-HOCLYGCPSA-N 2 0 312.373 0.380 20 30 DCEDRP C#CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC000958345893 687566487 /nfs/dbraw/zinc/56/64/87/687566487.db2.gz UJUYPYONNVIUIA-CABCVRRESA-N 2 0 319.405 0.387 20 30 DCEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961279890 688586919 /nfs/dbraw/zinc/58/69/19/688586919.db2.gz IUFYNWRHTPNWBU-AHRVAXILSA-N 2 0 303.406 0.082 20 30 DCEDRP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC001072760847 694661583 /nfs/dbraw/zinc/66/15/83/694661583.db2.gz QQJLZDULSNNPCZ-LSDHHAIUSA-N 2 0 305.422 0.570 20 30 DCEDRP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001073605451 694750473 /nfs/dbraw/zinc/75/04/73/694750473.db2.gz KZNMNVAMQWAFOU-HZPDHXFCSA-N 2 0 307.438 0.721 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073755492 694777723 /nfs/dbraw/zinc/77/77/23/694777723.db2.gz ALQCYLTVMPUPAA-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP CC#CC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001570718445 1162599141 /nfs/dbraw/zinc/59/91/41/1162599141.db2.gz WJGCSBFITJLXDT-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001571440530 1162756799 /nfs/dbraw/zinc/75/67/99/1162756799.db2.gz DIOQROZSUPJPAC-CJNGLKHVSA-N 2 0 313.417 0.289 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]C[C@@H](C)CC)CC1 ZINC001571448339 1162763735 /nfs/dbraw/zinc/76/37/35/1162763735.db2.gz SSYJKGCYZZMCGJ-HOCLYGCPSA-N 2 0 309.454 0.444 20 30 DCEDRP C=C(C)CC[NH+]1CC[C@](O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001672024140 1157435796 /nfs/dbraw/zinc/43/57/96/1157435796.db2.gz GEZHLRXHMINEPW-WBVHZDCISA-N 2 0 309.454 0.847 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001691123074 1157589243 /nfs/dbraw/zinc/58/92/43/1157589243.db2.gz AGHCWNKTDIMYOX-KFWWJZLASA-N 2 0 322.453 0.115 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001691316754 1157640020 /nfs/dbraw/zinc/64/00/20/1157640020.db2.gz BFDLZYMBKFBZJK-CQSZACIVSA-N 2 0 310.442 0.209 20 30 DCEDRP Cn1c(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)ccc1[C@@H]1CCCC[NH2+]1 ZINC001648979065 1158265567 /nfs/dbraw/zinc/26/55/67/1158265567.db2.gz GVIYHVVBHNEQJF-FRRDWIJNSA-N 2 0 301.394 0.681 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001691571111 1158341266 /nfs/dbraw/zinc/34/12/66/1158341266.db2.gz FNJABYFZZOXGLT-ZNMIVQPWSA-N 2 0 322.453 0.257 20 30 DCEDRP C#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001691609854 1158356402 /nfs/dbraw/zinc/35/64/02/1158356402.db2.gz LYXDSQRIIKCGSC-KRWDZBQOSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1OCC ZINC001691781498 1158675109 /nfs/dbraw/zinc/67/51/09/1158675109.db2.gz SVHBOMVZWCUQGX-HZPDHXFCSA-N 2 0 309.454 0.803 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001565849574 1159910286 /nfs/dbraw/zinc/91/02/86/1159910286.db2.gz JGIAKECQMZHHSC-GASCZTMLSA-N 2 0 307.438 0.462 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001565876116 1159919262 /nfs/dbraw/zinc/91/92/62/1159919262.db2.gz AGHCWNKTDIMYOX-RBSFLKMASA-N 2 0 322.453 0.115 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)C1=O ZINC001566813798 1160160397 /nfs/dbraw/zinc/16/03/97/1160160397.db2.gz OOHQCVRYHSHFND-KKUMJFAQSA-N 2 0 322.453 0.350 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001566903024 1160181135 /nfs/dbraw/zinc/18/11/35/1160181135.db2.gz GFFCVHZUGMPODN-AWEZNQCLSA-N 2 0 310.442 0.069 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001566913112 1160182283 /nfs/dbraw/zinc/18/22/83/1160182283.db2.gz LPWPJUJGWWFDGY-IRXDYDNUSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)C1=O ZINC001567106110 1160242745 /nfs/dbraw/zinc/24/27/45/1160242745.db2.gz RBCRABUZMOJNDR-LSDHHAIUSA-N 2 0 322.453 0.306 20 30 DCEDRP COCC#CC[NH2+]CC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001568007864 1160561127 /nfs/dbraw/zinc/56/11/27/1160561127.db2.gz HAMPIZSWLYXSMR-MRXNPFEDSA-N 2 0 321.465 0.997 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001569662545 1161188189 /nfs/dbraw/zinc/18/81/89/1161188189.db2.gz VUAQHVWFNNDVAD-RHSMWYFYSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCOCC1 ZINC001569730132 1161209690 /nfs/dbraw/zinc/20/96/90/1161209690.db2.gz DHJXCUMQJGYCSF-JKSUJKDBSA-N 2 0 319.449 0.892 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCOCC1 ZINC001569730131 1161209906 /nfs/dbraw/zinc/20/99/06/1161209906.db2.gz DHJXCUMQJGYCSF-HZPDHXFCSA-N 2 0 319.449 0.892 20 30 DCEDRP C=CC[N@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001569761998 1161232599 /nfs/dbraw/zinc/23/25/99/1161232599.db2.gz DKUTVBITACOCJZ-QGZVFWFLSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H](C[NH2+]CCO)C2)CC1 ZINC001569856264 1161286704 /nfs/dbraw/zinc/28/67/04/1161286704.db2.gz RZUIEAYMPJGEHV-GOEBONIOSA-N 2 0 307.438 0.008 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001569856582 1161286794 /nfs/dbraw/zinc/28/67/94/1161286794.db2.gz VITCPHQHOIAINV-LSDHHAIUSA-N 2 0 324.469 0.313 20 30 DCEDRP C=CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001569937377 1161332578 /nfs/dbraw/zinc/33/25/78/1161332578.db2.gz UUIBNHNRAJAGCW-HOTGVXAUSA-N 2 0 309.454 0.990 20 30 DCEDRP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001656784549 1173885999 /nfs/dbraw/zinc/88/59/99/1173885999.db2.gz SQILACRHBGXJDA-JKSUJKDBSA-N 2 0 309.454 0.635 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001662780315 1174240351 /nfs/dbraw/zinc/24/03/51/1174240351.db2.gz XSDNKDZUBKUXFA-ZIAGYGMSSA-N 2 0 310.442 0.257 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001664835420 1174464010 /nfs/dbraw/zinc/46/40/10/1174464010.db2.gz GXRLGEATAGZOMW-MRXNPFEDSA-N 2 0 321.465 0.758 20 30 DCEDRP COCC#CC[NH2+]Cc1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001666341024 1174600195 /nfs/dbraw/zinc/60/01/95/1174600195.db2.gz ISJMKJTWKMLZSE-UHFFFAOYSA-N 2 0 317.433 0.994 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]C[C@H](F)CC)CC1 ZINC001667939507 1174736067 /nfs/dbraw/zinc/73/60/67/1174736067.db2.gz LXWZVFQAGSXTJR-HUUCEWRRSA-N 2 0 313.417 0.146 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001667940270 1174736329 /nfs/dbraw/zinc/73/63/29/1174736329.db2.gz YLOJSNFOHQIWMF-HOTGVXAUSA-N 2 0 309.454 0.587 20 30 DCEDRP COCC#CC[NH2+]C/C=C\CNC(=O)COC1CC[NH+](C)CC1 ZINC001669111390 1174894849 /nfs/dbraw/zinc/89/48/49/1174894849.db2.gz IURDQROVIWRDCV-ARJAWSKDSA-N 2 0 323.437 0.009 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001673671877 1175221990 /nfs/dbraw/zinc/22/19/90/1175221990.db2.gz QGPPYRCTICKVHM-SJLPKXTDSA-N 2 0 321.465 0.826 20 30 DCEDRP CCC[C@@H]1CN(C(=O)NCC#CC[NH+](C)C)CC[N@@H+]1CCOC ZINC001676930535 1175504252 /nfs/dbraw/zinc/50/42/52/1175504252.db2.gz SPFVQHDHABRAEV-MRXNPFEDSA-N 2 0 324.469 0.694 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001685482727 1176034531 /nfs/dbraw/zinc/03/45/31/1176034531.db2.gz BLVAUCKNOLBWDS-HNNXBMFYSA-N 2 0 308.426 0.104 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CCOC)C2)CC1 ZINC001688951061 1176664519 /nfs/dbraw/zinc/66/45/19/1176664519.db2.gz HMRPBYYUGDLOMB-KOMQPUFPSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001689019577 1176676136 /nfs/dbraw/zinc/67/61/36/1176676136.db2.gz ZMLAFBOCCODVAO-OWCLPIDISA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1OCC ZINC001689074855 1176689640 /nfs/dbraw/zinc/68/96/40/1176689640.db2.gz SZWHXRVISHQRCM-HUUCEWRRSA-N 2 0 305.422 0.169 20 30 DCEDRP C#CCC[NH+]1CCN(CCCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001690055626 1177153351 /nfs/dbraw/zinc/15/33/51/1177153351.db2.gz QAYHQXPUARENKF-INIZCTEOSA-N 2 0 306.454 0.228 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001690356632 1177221167 /nfs/dbraw/zinc/22/11/67/1177221167.db2.gz PWCYMFMQRRQPKG-GASCZTMLSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCCOCC)C2)CC1 ZINC001690367770 1177224090 /nfs/dbraw/zinc/22/40/90/1177224090.db2.gz BKEQDXQIKIDYLJ-CALCHBBNSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@](C)(C[NH2+]CCO)C2CC2)CC1 ZINC001698652111 1177600467 /nfs/dbraw/zinc/60/04/67/1177600467.db2.gz HSDYCANJCOWFPA-QGZVFWFLSA-N 2 0 307.438 0.198 20 30 DCEDRP COCC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001698871296 1177701059 /nfs/dbraw/zinc/70/10/59/1177701059.db2.gz MIVYSMYKCDHRSW-JKSUJKDBSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH2+]C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C1CC1 ZINC001699595442 1178209510 /nfs/dbraw/zinc/20/95/10/1178209510.db2.gz PWMDVHLYPBYYSR-HNNXBMFYSA-N 2 0 303.410 0.176 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001699669758 1178246513 /nfs/dbraw/zinc/24/65/13/1178246513.db2.gz KVYRGGVCGPEUAO-KGLIPLIRSA-N 2 0 322.453 0.257 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]C[C@H](C)OC)CC2)CC1 ZINC001699676559 1178247108 /nfs/dbraw/zinc/24/71/08/1178247108.db2.gz VKMOAWHEKRAFFP-AWEZNQCLSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)CC[NH+](C)C)C2)CC1 ZINC001699774555 1178283897 /nfs/dbraw/zinc/28/38/97/1178283897.db2.gz CESUDHRVDTZISC-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCC[C@@H](C)[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001699923880 1178384400 /nfs/dbraw/zinc/38/44/00/1178384400.db2.gz RWJWBGXUIPAXGM-CABCVRRESA-N 2 0 309.454 0.846 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001699943758 1178391430 /nfs/dbraw/zinc/39/14/30/1178391430.db2.gz IMWHXLHGSUAVLB-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001699971718 1178402872 /nfs/dbraw/zinc/40/28/72/1178402872.db2.gz HVDBDNLXBHGAJK-JKSUJKDBSA-N 2 0 321.465 0.969 20 30 DCEDRP CC#CC[NH2+]C1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001699993267 1178411099 /nfs/dbraw/zinc/41/10/99/1178411099.db2.gz MUEZFPLTKYAYKY-NVXWUHKLSA-N 2 0 320.481 0.520 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001700135634 1178490866 /nfs/dbraw/zinc/49/08/66/1178490866.db2.gz FLCYAMYAVJMDCU-UHFFFAOYSA-N 2 0 322.453 0.259 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001700158121 1178505530 /nfs/dbraw/zinc/50/55/30/1178505530.db2.gz RQMYVSQOKSRXGV-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001700286802 1178566604 /nfs/dbraw/zinc/56/66/04/1178566604.db2.gz UNVDFUUULVTUBO-AWEZNQCLSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001700947510 1178823974 /nfs/dbraw/zinc/82/39/74/1178823974.db2.gz SSWAXVBYOBBOCF-AWEZNQCLSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001700965616 1178847462 /nfs/dbraw/zinc/84/74/62/1178847462.db2.gz YKXJBUOUDBKPBO-DLBZAZTESA-N 2 0 323.481 0.881 20 30 DCEDRP C=C(C)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001707179435 1180428367 /nfs/dbraw/zinc/42/83/67/1180428367.db2.gz MLOISFUXZWHKCO-GFCCVEGCSA-N 2 0 319.409 0.416 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001713173446 1180707658 /nfs/dbraw/zinc/70/76/58/1180707658.db2.gz XJTAEKVLFWCBGM-LUKYLMHMSA-N 2 0 321.465 0.993 20 30 DCEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001713203315 1180718042 /nfs/dbraw/zinc/71/80/42/1180718042.db2.gz IEVHAJLRTUDCIA-GASCZTMLSA-N 2 0 303.410 0.318 20 30 DCEDRP COCC#CCN1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001713804805 1181081507 /nfs/dbraw/zinc/08/15/07/1181081507.db2.gz WVORQKQQCPQAIW-HNNXBMFYSA-N 2 0 305.422 0.313 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001714278659 1181305206 /nfs/dbraw/zinc/30/52/06/1181305206.db2.gz NEDHIGFESXBDKO-LSDHHAIUSA-N 2 0 322.453 0.093 20 30 DCEDRP COCC#CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001715095331 1181685874 /nfs/dbraw/zinc/68/58/74/1181685874.db2.gz PWNANRAWJHHIEC-HZPDHXFCSA-N 2 0 321.465 0.995 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC#CCOC ZINC001715214102 1181718944 /nfs/dbraw/zinc/71/89/44/1181718944.db2.gz WMMDGKRTJPSREY-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP COCC#CC[N@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001715520783 1181839022 /nfs/dbraw/zinc/83/90/22/1181839022.db2.gz QHMUAZQMKITPCK-INIZCTEOSA-N 2 0 309.454 0.901 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+][C@@H](CC)C(N)=O)CC1 ZINC001715709501 1181950938 /nfs/dbraw/zinc/95/09/38/1181950938.db2.gz SLFPSZJFOSQKDS-ZFWWWQNUSA-N 2 0 322.453 0.080 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001715962899 1182121312 /nfs/dbraw/zinc/12/13/12/1182121312.db2.gz RMLOIELMQBARNW-HZPDHXFCSA-N 2 0 309.454 0.851 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001716095465 1182187473 /nfs/dbraw/zinc/18/74/73/1182187473.db2.gz AUHVGXWUFYUNSZ-OAHLLOKOSA-N 2 0 309.454 0.589 20 30 DCEDRP COCC#CC[NH2+]CCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001716586176 1182456023 /nfs/dbraw/zinc/45/60/23/1182456023.db2.gz NJCJWFFWIOUOGW-IYBDPMFKSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001716920098 1182574326 /nfs/dbraw/zinc/57/43/26/1182574326.db2.gz NYCUSIUNIHILHY-GOEBONIOSA-N 2 0 313.417 0.243 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001716964066 1182604679 /nfs/dbraw/zinc/60/46/79/1182604679.db2.gz VXNWQKXUUZGBAJ-CVEARBPZSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+]CCN(CCO)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001717056866 1182655339 /nfs/dbraw/zinc/65/53/39/1182655339.db2.gz VDAOPKVZYOEFGS-UHFFFAOYSA-N 2 0 309.454 0.542 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001717185531 1182717831 /nfs/dbraw/zinc/71/78/31/1182717831.db2.gz CBIVUDHBGRJKDS-INIZCTEOSA-N 2 0 307.438 0.703 20 30 DCEDRP C=C(C)CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001717250548 1182747952 /nfs/dbraw/zinc/74/79/52/1182747952.db2.gz RJRHCMVFAJYMDQ-DOTOQJQBSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001717279172 1182763435 /nfs/dbraw/zinc/76/34/35/1182763435.db2.gz INZVHCZDUUYXLK-UONOGXRCSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)C[C@H](C)O)CC1 ZINC001717376132 1182807654 /nfs/dbraw/zinc/80/76/54/1182807654.db2.gz KWMQRXSAFHWZKS-RDJZCZTQSA-N 2 0 321.465 0.635 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CC#CCOC)CC1 ZINC001717498449 1182865325 /nfs/dbraw/zinc/86/53/25/1182865325.db2.gz BIOBQAPNDYFINN-INIZCTEOSA-N 2 0 319.449 0.418 20 30 DCEDRP C#CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001717617205 1182926676 /nfs/dbraw/zinc/92/66/76/1182926676.db2.gz VCUZLUGYPMQCAC-LSDHHAIUSA-N 2 0 307.438 0.557 20 30 DCEDRP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001717783720 1182998745 /nfs/dbraw/zinc/99/87/45/1182998745.db2.gz COEZZHFVQAFMRY-KRWDZBQOSA-N 2 0 317.433 0.445 20 30 DCEDRP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001717944637 1183084132 /nfs/dbraw/zinc/08/41/32/1183084132.db2.gz NBGAJVYYRZCWLT-MRXNPFEDSA-N 2 0 309.454 0.637 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)CC[NH+](C)C)C1=O ZINC001723975279 1184366097 /nfs/dbraw/zinc/36/60/97/1184366097.db2.gz UUEHHPUNLBQKHS-GJZGRUSLSA-N 2 0 322.453 0.306 20 30 DCEDRP C#CCC[N@H+]1CC[C@](O)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001724427236 1184439313 /nfs/dbraw/zinc/43/93/13/1184439313.db2.gz MLBRNFIRZHPMAA-KRWDZBQOSA-N 2 0 307.438 0.439 20 30 DCEDRP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001724428325 1184440122 /nfs/dbraw/zinc/44/01/22/1184440122.db2.gz VHEIIZLVIJVREE-DOTOQJQBSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001724830506 1184580435 /nfs/dbraw/zinc/58/04/35/1184580435.db2.gz IKUBZJIDXVVHKA-KRWDZBQOSA-N 2 0 320.481 0.570 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001724907127 1184613865 /nfs/dbraw/zinc/61/38/65/1184613865.db2.gz UVUAWVHBPHIQFD-QGZVFWFLSA-N 2 0 319.449 0.581 20 30 DCEDRP COCC#CC[N@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001725427840 1184817830 /nfs/dbraw/zinc/81/78/30/1184817830.db2.gz VFTRLZHNIXYRGF-UHFFFAOYSA-N 2 0 307.438 0.655 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]C[C@@H](C)OC)CC1 ZINC001725523080 1184856901 /nfs/dbraw/zinc/85/69/01/1184856901.db2.gz LIJJKSDWLOUEAU-LSDHHAIUSA-N 2 0 309.454 0.803 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)CC#CCOC ZINC001731287027 1185243901 /nfs/dbraw/zinc/24/39/01/1185243901.db2.gz XXQGMYVRZXNKRF-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001731364210 1185297809 /nfs/dbraw/zinc/29/78/09/1185297809.db2.gz CAIQBEWMHFOTNI-IAGOWNOFSA-N 2 0 320.481 0.616 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](CC)OC)C2)CC1 ZINC001731460404 1185343418 /nfs/dbraw/zinc/34/34/18/1185343418.db2.gz BWFXAKVUJKAFMK-BRWVUGGUSA-N 2 0 321.465 0.993 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001731911339 1185566881 /nfs/dbraw/zinc/56/68/81/1185566881.db2.gz OGGXXRGPLTXVPF-BFHYXJOUSA-N 2 0 310.442 0.065 20 30 DCEDRP COCC#CCN1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001732128339 1185687933 /nfs/dbraw/zinc/68/79/33/1185687933.db2.gz FFNZYESGCGFPMG-DLBZAZTESA-N 2 0 319.449 0.701 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001732455096 1185824242 /nfs/dbraw/zinc/82/42/42/1185824242.db2.gz SOCPMUQMRHWLHC-ZIAGYGMSSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001733352648 1186237338 /nfs/dbraw/zinc/23/73/38/1186237338.db2.gz ZISDKRYSTNPLMP-CABCVRRESA-N 2 0 322.453 0.354 20 30 DCEDRP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@H](C)OC)CC1 ZINC001733374841 1186246244 /nfs/dbraw/zinc/24/62/44/1186246244.db2.gz BYWSOCBHOBRXSS-JKSUJKDBSA-N 2 0 321.465 0.899 20 30 DCEDRP C=CC[NH2+]C1CCN(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001733582160 1186341735 /nfs/dbraw/zinc/34/17/35/1186341735.db2.gz ZGCYDTJZRJCDDX-HNNXBMFYSA-N 2 0 308.470 0.684 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001733820076 1186461077 /nfs/dbraw/zinc/46/10/77/1186461077.db2.gz DOISRUUATBKOKQ-XYJFISCASA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001733917987 1186497130 /nfs/dbraw/zinc/49/71/30/1186497130.db2.gz FCSLSXGQJJDANU-CVEARBPZSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CCC[NH2+]CC1CC(NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001733950042 1186506958 /nfs/dbraw/zinc/50/69/58/1186506958.db2.gz DVDMDBRUUMWSMS-UHFFFAOYSA-N 2 0 321.465 0.853 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001733983715 1186515312 /nfs/dbraw/zinc/51/53/12/1186515312.db2.gz KLWIZSJLYAVQEU-GJZGRUSLSA-N 2 0 307.438 0.747 20 30 DCEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001734125072 1186555192 /nfs/dbraw/zinc/55/51/92/1186555192.db2.gz DNKAJCQKKTWBRF-HUUCEWRRSA-N 2 0 307.438 0.415 20 30 DCEDRP COCC#CC[N@H+]1CC=C(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001734628705 1186711342 /nfs/dbraw/zinc/71/13/42/1186711342.db2.gz RYKGBRCKICWXKG-UHFFFAOYSA-N 2 0 319.449 0.869 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001752375371 1188419400 /nfs/dbraw/zinc/41/94/00/1188419400.db2.gz MVYRLJKTTVJMPM-UHFFFAOYSA-N 2 0 320.481 0.620 20 30 DCEDRP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001752790411 1188441432 /nfs/dbraw/zinc/44/14/32/1188441432.db2.gz XXHREWLKOXRJPF-JKSUJKDBSA-N 2 0 309.454 0.969 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001752983846 1188471705 /nfs/dbraw/zinc/47/17/05/1188471705.db2.gz PWGHLGCOVJAHPJ-CVEARBPZSA-N 2 0 309.454 0.993 20 30 DCEDRP C#CC[NH2+]C[C@](C)(NC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001753525724 1188614354 /nfs/dbraw/zinc/61/43/54/1188614354.db2.gz GWMOQAZETCAPQY-KRWDZBQOSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C1 ZINC001754600218 1188887174 /nfs/dbraw/zinc/88/71/74/1188887174.db2.gz ZROBRARLUCNBCL-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCOCC[N@H+]1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001754683615 1188906005 /nfs/dbraw/zinc/90/60/05/1188906005.db2.gz LLMIWQLHCOBSIE-INIZCTEOSA-N 2 0 307.438 0.865 20 30 DCEDRP C=CCC[NH+]1CCC[C@](CO)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001754857163 1188951403 /nfs/dbraw/zinc/95/14/03/1188951403.db2.gz AOBPFLCCGNRPBB-WBVHZDCISA-N 2 0 309.454 0.847 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001754909618 1188971411 /nfs/dbraw/zinc/97/14/11/1188971411.db2.gz ZIIVDVWZHVAXLN-CABCVRRESA-N 2 0 322.453 0.211 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001755002002 1188992312 /nfs/dbraw/zinc/99/23/12/1188992312.db2.gz JFJIUGVULVLXTL-CVEARBPZSA-N 2 0 305.422 0.169 20 30 DCEDRP CC#CC[NH2+]CC1(NC(=O)Cc2[nH]cnc2C)CCOCC1 ZINC001755099695 1189023065 /nfs/dbraw/zinc/02/30/65/1189023065.db2.gz OCIQGHWGJNMFPZ-UHFFFAOYSA-N 2 0 304.394 0.539 20 30 DCEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001755391167 1189100683 /nfs/dbraw/zinc/10/06/83/1189100683.db2.gz GTXRQNDXWJRIRY-GJZGRUSLSA-N 2 0 309.454 0.967 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+](C)C(C)C ZINC001755571980 1189150019 /nfs/dbraw/zinc/15/00/19/1189150019.db2.gz AEPZQIAXPQQAGR-MRXNPFEDSA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001755573082 1189150698 /nfs/dbraw/zinc/15/06/98/1189150698.db2.gz MGSWSZBXPBFWLU-LSDHHAIUSA-N 2 0 322.453 0.067 20 30 DCEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001755788163 1189213818 /nfs/dbraw/zinc/21/38/18/1189213818.db2.gz NCARPANKRLTXAU-KRWDZBQOSA-N 2 0 317.433 0.446 20 30 DCEDRP C[N@@H+]1CCO[C@H]2CN(c3ncc4c(c3C#N)CCC[NH2+]C4)C[C@@H]21 ZINC001164670352 719370246 /nfs/dbraw/zinc/37/02/46/719370246.db2.gz UQMUXCIZHMFSMF-HOTGVXAUSA-N 2 0 313.405 0.508 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106980820 751706414 /nfs/dbraw/zinc/70/64/14/751706414.db2.gz BTHRGIQAVOFOQK-BZUAXINKSA-N 2 0 307.438 0.272 20 30 DCEDRP C=CCC[N@@H+](CCO)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001098536424 747060789 /nfs/dbraw/zinc/06/07/89/747060789.db2.gz KEPKCGWXEDTLNU-UHFFFAOYSA-N 2 0 321.465 0.944 20 30 DCEDRP C=CCC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001098561347 747342031 /nfs/dbraw/zinc/34/20/31/747342031.db2.gz AICCLQUHBNSLND-UHFFFAOYSA-N 2 0 309.454 0.944 20 30 DCEDRP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083248285 747422333 /nfs/dbraw/zinc/42/23/33/747422333.db2.gz YSQHZYVODXRWDS-OWCLPIDISA-N 2 0 307.438 0.816 20 30 DCEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)CCC[NH+](C)C)C2)nn1 ZINC001105315643 748124612 /nfs/dbraw/zinc/12/46/12/748124612.db2.gz YNFVIOVSEDEYBZ-UHFFFAOYSA-N 2 0 318.425 0.116 20 30 DCEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1CC ZINC001087576661 748985883 /nfs/dbraw/zinc/98/58/83/748985883.db2.gz VNLHUOUPONXZCS-GOEBONIOSA-N 2 0 317.437 0.661 20 30 DCEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001088427214 749436750 /nfs/dbraw/zinc/43/67/50/749436750.db2.gz PTXGYFFHASVVQG-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+]C[C@H](C)O)CC2)CC1 ZINC001168307936 749907464 /nfs/dbraw/zinc/90/74/64/749907464.db2.gz NGVSEUPVFWFRII-HNNXBMFYSA-N 2 0 321.465 0.589 20 30 DCEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105942024 750592030 /nfs/dbraw/zinc/59/20/30/750592030.db2.gz VDSUMPVRODJNEV-BZUAXINKSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001046039413 750855141 /nfs/dbraw/zinc/85/51/41/750855141.db2.gz XWJZLHPEQUQTGI-JKSUJKDBSA-N 2 0 306.454 0.178 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001121916482 750942736 /nfs/dbraw/zinc/94/27/36/750942736.db2.gz AEUFMEGCHXWJKZ-OAHLLOKOSA-N 2 0 322.453 0.437 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106323216 751108604 /nfs/dbraw/zinc/10/86/04/751108604.db2.gz YUPQMTTWXGAUQR-BRWVUGGUSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127327877 751123139 /nfs/dbraw/zinc/12/31/39/751123139.db2.gz ZNGSMDCVFQZJJR-AWEZNQCLSA-N 2 0 322.453 0.095 20 30 DCEDRP C#CC[NH+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046075857 753468236 /nfs/dbraw/zinc/46/82/36/753468236.db2.gz GVOFSQATQCCXSO-IRXDYDNUSA-N 2 0 318.465 0.180 20 30 DCEDRP C#CCCN1CCO[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001108049665 753483941 /nfs/dbraw/zinc/48/39/41/753483941.db2.gz OKAHFOJZUFMKGR-KRWDZBQOSA-N 2 0 319.449 0.845 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+](CC3CC3)C[C@@H]2O)CC1 ZINC001047638283 754452615 /nfs/dbraw/zinc/45/26/15/754452615.db2.gz LCAPJYBCSKAUTG-IRXDYDNUSA-N 2 0 319.449 0.245 20 30 DCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048824320 754962322 /nfs/dbraw/zinc/96/23/22/754962322.db2.gz YUOQATZTKHLGKH-IXDOHACOSA-N 2 0 301.434 0.742 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049215862 755187322 /nfs/dbraw/zinc/18/73/22/755187322.db2.gz NSVLTUPCDAVKBV-YESZJQIVSA-N 2 0 321.465 0.921 20 30 DCEDRP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)COC1CC[NH+](C)CC1 ZINC001049828258 755415694 /nfs/dbraw/zinc/41/56/94/755415694.db2.gz OAEDPPFEBSHFHN-IRXDYDNUSA-N 2 0 319.449 0.796 20 30 DCEDRP C=CC[NH2+][C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC001054656783 756602017 /nfs/dbraw/zinc/60/20/17/756602017.db2.gz PLPHWMCTPHUBLV-ZFWWWQNUSA-N 2 0 305.426 0.681 20 30 DCEDRP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001090398757 757907922 /nfs/dbraw/zinc/90/79/22/757907922.db2.gz IFYQVWHILMQAIW-GJZGRUSLSA-N 2 0 300.362 0.685 20 30 DCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](CC#C)CC1 ZINC001085432922 758873323 /nfs/dbraw/zinc/87/33/23/758873323.db2.gz XCPPCCCQARJXHS-IAGOWNOFSA-N 2 0 301.434 0.982 20 30 DCEDRP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C1CCC1)C[C@H](C)O2 ZINC001071175825 761685312 /nfs/dbraw/zinc/68/53/12/761685312.db2.gz LRGRSLKESKWJSK-YJBOKZPZSA-N 2 0 319.449 0.796 20 30 DCEDRP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2 ZINC001112563311 761694259 /nfs/dbraw/zinc/69/42/59/761694259.db2.gz QBGIBJNRUBKMJC-RDJZCZTQSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC001071241432 761732611 /nfs/dbraw/zinc/73/26/11/761732611.db2.gz UYWZRAXDPRITNK-WBVHZDCISA-N 2 0 307.438 0.960 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC001071241515 761733343 /nfs/dbraw/zinc/73/33/43/761733343.db2.gz WDYJTJICVBGIBR-SJLPKXTDSA-N 2 0 319.449 0.797 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C(F)(F)F ZINC001099254884 762847538 /nfs/dbraw/zinc/84/75/38/762847538.db2.gz ZJHHXUOJBOQQAD-FDYHWXHSSA-N 2 0 317.355 0.939 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)C1CCCCC1 ZINC001129770125 763007437 /nfs/dbraw/zinc/00/74/37/763007437.db2.gz BHZLYYRXDDRLMP-IRXDYDNUSA-N 2 0 321.465 0.731 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100126648 763336003 /nfs/dbraw/zinc/33/60/03/763336003.db2.gz KOPVCRVRRRCVGM-HZPDHXFCSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCOCC[NH2+]CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196791 763699808 /nfs/dbraw/zinc/69/98/08/763699808.db2.gz XVMOQAWHPQQCIJ-UHFFFAOYSA-N 2 0 315.377 0.789 20 30 DCEDRP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001131379185 763789976 /nfs/dbraw/zinc/78/99/76/763789976.db2.gz RZRSUVBATUQSFA-UHFFFAOYSA-N 2 0 324.469 0.555 20 30 DCEDRP C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@@H](C)O2 ZINC001131681684 763935419 /nfs/dbraw/zinc/93/54/19/763935419.db2.gz GIVZIMFDKLBZDZ-WBVHZDCISA-N 2 0 307.438 0.653 20 30 DCEDRP C=CC[NH+](CCO)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001098477854 764141115 /nfs/dbraw/zinc/14/11/15/764141115.db2.gz MDHRNMWMWIREND-OAHLLOKOSA-N 2 0 309.454 0.800 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132286262 764353176 /nfs/dbraw/zinc/35/31/76/764353176.db2.gz GAVCMIPPNKMMKF-CYBMUJFWSA-N 2 0 310.442 0.257 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102045952 764506012 /nfs/dbraw/zinc/50/60/12/764506012.db2.gz DNZVUTRZFTVVET-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC#CCOC)C[C@H]1C ZINC001102475449 764657476 /nfs/dbraw/zinc/65/74/76/764657476.db2.gz PLDZXGZJWWIMBF-HZPDHXFCSA-N 2 0 309.454 0.662 20 30 DCEDRP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580576 764712260 /nfs/dbraw/zinc/71/22/60/764712260.db2.gz COIWAICZJMCOJJ-BZUAXINKSA-N 2 0 307.438 0.272 20 30 DCEDRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001133869728 765196247 /nfs/dbraw/zinc/19/62/47/765196247.db2.gz KERLUGCEZNAYTA-BBRMVZONSA-N 2 0 300.406 0.962 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134759314 765658074 /nfs/dbraw/zinc/65/80/74/765658074.db2.gz LTOCQWQOEMKEDH-LSDHHAIUSA-N 2 0 324.469 0.647 20 30 DCEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135652014 766023121 /nfs/dbraw/zinc/02/31/21/766023121.db2.gz SZNCOEKHPKQMRY-LSDHHAIUSA-N 2 0 319.453 0.955 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135743903 766085043 /nfs/dbraw/zinc/08/50/43/766085043.db2.gz RHDAZSBXPKHJSU-KBPBESRZSA-N 2 0 312.458 0.503 20 30 DCEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001135805309 766124253 /nfs/dbraw/zinc/12/42/53/766124253.db2.gz XPFSRNNGDPJOPD-GJZGRUSLSA-N 2 0 309.454 0.993 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H](O)C1 ZINC001090525370 766152646 /nfs/dbraw/zinc/15/26/46/766152646.db2.gz KWKZADZICWNVOT-LSDHHAIUSA-N 2 0 319.405 0.530 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001160003429 766347552 /nfs/dbraw/zinc/34/75/52/766347552.db2.gz ODQSDDCZTUFSEV-ZDUSSCGKSA-N 2 0 310.442 0.257 20 30 DCEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001090706273 766494162 /nfs/dbraw/zinc/49/41/62/766494162.db2.gz HBUAMBAVSMABSE-IRXDYDNUSA-N 2 0 321.465 0.846 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=C)C)C[C@@H]2O)CC1 ZINC001090832010 766649759 /nfs/dbraw/zinc/64/97/59/766649759.db2.gz XSDXRKYAUMIYRF-SJORKVTESA-N 2 0 319.449 0.459 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171160885 766865946 /nfs/dbraw/zinc/86/59/46/766865946.db2.gz JVDHPEIDLBDGOH-HOTGVXAUSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1)C(C)C ZINC001121909666 767664023 /nfs/dbraw/zinc/66/40/23/767664023.db2.gz YFFJIRGNWLWIBE-ZMSDIMECSA-N 2 0 309.454 0.914 20 30 DCEDRP C#CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001092910689 768415380 /nfs/dbraw/zinc/41/53/80/768415380.db2.gz IRVUMHFOJIQQKH-ZACQAIPSSA-N 2 0 321.465 0.803 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150596037 769133870 /nfs/dbraw/zinc/13/38/70/769133870.db2.gz HBTFNDMABVGLPC-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001151049439 769245808 /nfs/dbraw/zinc/24/58/08/769245808.db2.gz OUQPQHJWDBIVJU-CYBMUJFWSA-N 2 0 304.369 0.855 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001175057166 769848659 /nfs/dbraw/zinc/84/86/59/769848659.db2.gz VKHNQHNFGKORRF-AWEZNQCLSA-N 2 0 312.458 0.505 20 30 DCEDRP C=CC[NH2+]CCN(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236387161 770008800 /nfs/dbraw/zinc/00/88/00/770008800.db2.gz VJGJXMKMYSILJA-UHFFFAOYSA-N 2 0 324.513 0.786 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C[C@@H]2CCOC2)CC1 ZINC001176926852 770226843 /nfs/dbraw/zinc/22/68/43/770226843.db2.gz XUHPISCUJQFPPM-HNNXBMFYSA-N 2 0 307.438 0.464 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2cnn(C)c2)CC1 ZINC001176926981 770226948 /nfs/dbraw/zinc/22/69/48/770226948.db2.gz ZYBYWXOELNICQE-UHFFFAOYSA-N 2 0 317.437 0.361 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)C[N@@H+](C)C(C)C)C1=O ZINC001176972023 770264235 /nfs/dbraw/zinc/26/42/35/770264235.db2.gz LBDNPWYFMRLIEO-AWEZNQCLSA-N 2 0 310.442 0.209 20 30 DCEDRP N#Cc1c(NC[C@]23C[NH2+]C[C@H]2COC3)ncc2c1CCC[NH2+]C2 ZINC001155510296 770530166 /nfs/dbraw/zinc/53/01/66/770530166.db2.gz RFXMNFFIOUBXFU-GUYCJALGSA-N 2 0 313.405 0.637 20 30 DCEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001178536255 770783009 /nfs/dbraw/zinc/78/30/09/770783009.db2.gz SKSKWPOKLUDUPQ-JKSUJKDBSA-N 2 0 307.438 0.749 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001179304392 770983579 /nfs/dbraw/zinc/98/35/79/770983579.db2.gz ZNCUOZHIECHSNU-ZQDZILKHSA-N 2 0 322.453 0.350 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)CCC[NH+](C)C ZINC001179400795 770998138 /nfs/dbraw/zinc/99/81/38/770998138.db2.gz XJHMHAJVMGGPLO-UHFFFAOYSA-N 2 0 324.469 0.344 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001180226836 771078382 /nfs/dbraw/zinc/07/83/82/771078382.db2.gz OPXVNBVTDKSNJN-KKUMJFAQSA-N 2 0 324.469 0.596 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)C[NH+]1CCCC1 ZINC001180274652 771091082 /nfs/dbraw/zinc/09/10/82/771091082.db2.gz PAAIKIALJMVTAF-UHFFFAOYSA-N 2 0 322.453 0.098 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001182693599 771535315 /nfs/dbraw/zinc/53/53/15/771535315.db2.gz YJHHDTIJHLHIEM-QLFBSQMISA-N 2 0 322.453 0.209 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC#CCOC)C1 ZINC001183040350 771596166 /nfs/dbraw/zinc/59/61/66/771596166.db2.gz PMIDOVOGMDFSMK-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)C1 ZINC001157538635 771627795 /nfs/dbraw/zinc/62/77/95/771627795.db2.gz PGISTYKKLOIOBL-FWYOQMDTSA-N 2 0 316.380 0.586 20 30 DCEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)COCC[NH+](C)C ZINC001158749876 771817477 /nfs/dbraw/zinc/81/74/77/771817477.db2.gz DQHIDDILQNNABZ-MRXNPFEDSA-N 2 0 309.454 0.901 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001185382392 771909285 /nfs/dbraw/zinc/90/92/85/771909285.db2.gz ZYLSJENIGUITIZ-JKSUJKDBSA-N 2 0 321.465 0.805 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001185501540 771922868 /nfs/dbraw/zinc/92/28/68/771922868.db2.gz GLBGVPRQOYNRSA-JKSUJKDBSA-N 2 0 309.454 0.662 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159932575 771980508 /nfs/dbraw/zinc/98/05/08/771980508.db2.gz SDCURAIPOSVJRR-GXTWGEPZSA-N 2 0 310.442 0.113 20 30 DCEDRP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001160997939 772146986 /nfs/dbraw/zinc/14/69/86/772146986.db2.gz XIOVZJXEJDOAJC-QGZVFWFLSA-N 2 0 319.449 0.867 20 30 DCEDRP CC#CC[NH2+]C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001203709506 772535123 /nfs/dbraw/zinc/53/51/23/772535123.db2.gz USDZTDGNTKAKEJ-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001163851163 772581813 /nfs/dbraw/zinc/58/18/13/772581813.db2.gz HTATYNKNIPTPIV-AWEZNQCLSA-N 2 0 324.469 0.647 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001190675575 772662888 /nfs/dbraw/zinc/66/28/88/772662888.db2.gz REJDOXVHGINEDE-INIZCTEOSA-N 2 0 307.438 0.653 20 30 DCEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001164596807 772686939 /nfs/dbraw/zinc/68/69/39/772686939.db2.gz SHJPGVRUEXFBNR-HOTGVXAUSA-N 2 0 319.449 0.749 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166971128 772894353 /nfs/dbraw/zinc/89/43/53/772894353.db2.gz IRLFPZNFUOGBKD-UHFFFAOYSA-N 2 0 310.442 0.116 20 30 DCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001192425357 772916085 /nfs/dbraw/zinc/91/60/85/772916085.db2.gz GCACMCZMIVBOHQ-CVEARBPZSA-N 2 0 307.438 0.653 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203730452 772922009 /nfs/dbraw/zinc/92/20/09/772922009.db2.gz KVWOCCHNCLOTPF-HOTGVXAUSA-N 2 0 319.449 0.749 20 30 DCEDRP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001192844586 772968976 /nfs/dbraw/zinc/96/89/76/772968976.db2.gz YQPGGXPGVLFEOP-OWCLPIDISA-N 2 0 309.454 0.987 20 30 DCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001194026699 773140572 /nfs/dbraw/zinc/14/05/72/773140572.db2.gz IYOMOPPHFXPHSG-HOTGVXAUSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCOC)C2)CC1 ZINC001194247627 773168178 /nfs/dbraw/zinc/16/81/78/773168178.db2.gz YQCUISISNQKCCS-INIZCTEOSA-N 2 0 307.438 0.511 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001208063830 773391724 /nfs/dbraw/zinc/39/17/24/773391724.db2.gz WUMMBQVZOGJAHT-IRXDYDNUSA-N 2 0 319.449 0.559 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209150120 773565457 /nfs/dbraw/zinc/56/54/57/773565457.db2.gz LFINKQFJKQZJGN-NVXWUHKLSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209408366 773601416 /nfs/dbraw/zinc/60/14/16/773601416.db2.gz MCUMHDRZKXALRJ-HNNXBMFYSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210217711 773686396 /nfs/dbraw/zinc/68/63/96/773686396.db2.gz LSJBYJLFWDPVQG-CABCVRRESA-N 2 0 324.469 0.600 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210811462 773741987 /nfs/dbraw/zinc/74/19/87/773741987.db2.gz OJUJAHZLEZRSAL-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152445588 773907411 /nfs/dbraw/zinc/90/74/11/773907411.db2.gz KBUZZUKYBLXFRT-UHFFFAOYSA-N 2 0 310.442 0.233 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001215476700 774076145 /nfs/dbraw/zinc/07/61/45/774076145.db2.gz QXKNQYZZPVVEET-IIAWOOMASA-N 2 0 324.469 0.311 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)COC)C2)CC1 ZINC001216843170 774142443 /nfs/dbraw/zinc/14/24/43/774142443.db2.gz ZTIQVCSEDLEOTK-HLLBOEOZSA-N 2 0 321.465 0.803 20 30 DCEDRP N#Cc1ncc(NC(=O)[C@@H]([NH3+])CCC[NH3+])cc1C(F)(F)F ZINC001218658438 774274747 /nfs/dbraw/zinc/27/47/47/774274747.db2.gz CKZNCURAYORFSG-VIFPVBQESA-N 2 0 301.272 0.977 20 30 DCEDRP C#Cc1cnc(NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)c(C#C)n1 ZINC001218658023 774274829 /nfs/dbraw/zinc/27/48/29/774274829.db2.gz ZASLGTJIBWUXRZ-AWEZNQCLSA-N 2 0 313.405 0.873 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CCCO1 ZINC001201872926 774571119 /nfs/dbraw/zinc/57/11/19/774571119.db2.gz UGTFCXMKBMIHAX-CQSZACIVSA-N 2 0 316.405 0.602 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCCO1 ZINC001201908629 774577368 /nfs/dbraw/zinc/57/73/68/774577368.db2.gz NKOXSGMDCVLRNE-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219732146 774593215 /nfs/dbraw/zinc/59/32/15/774593215.db2.gz OVRZXYVCLNRVAA-KFWWJZLASA-N 2 0 315.433 0.794 20 30 DCEDRP C=CCCC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219830458 774623400 /nfs/dbraw/zinc/62/34/00/774623400.db2.gz XGXJJBYKGVJLOW-OAGGEKHMSA-N 2 0 309.454 0.988 20 30 DCEDRP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771362 774911266 /nfs/dbraw/zinc/91/12/66/774911266.db2.gz QBISHRAFAYUZEQ-ZNMIVQPWSA-N 2 0 307.438 0.598 20 30 DCEDRP N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC001220889587 774945493 /nfs/dbraw/zinc/94/54/93/774945493.db2.gz MSXWPARHSQMUML-XYPHTWIQSA-N 2 0 312.417 0.947 20 30 DCEDRP COCC#CC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001227900698 776021969 /nfs/dbraw/zinc/02/19/69/776021969.db2.gz YBOQVZPVCWYJSF-INIZCTEOSA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001266546334 939158766 /nfs/dbraw/zinc/15/87/66/939158766.db2.gz TXJXWOYHQOCYBN-HUUCEWRRSA-N 2 0 322.453 0.069 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001266822529 939246282 /nfs/dbraw/zinc/24/62/82/939246282.db2.gz ACJLNMLLHFUTRU-HZPDHXFCSA-N 2 0 307.438 0.416 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266867769 939260457 /nfs/dbraw/zinc/26/04/57/939260457.db2.gz PJQPFJCEDRNUFJ-IXDOHACOSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266867768 939260466 /nfs/dbraw/zinc/26/04/66/939260466.db2.gz PJQPFJCEDRNUFJ-BRWVUGGUSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001267148534 939358787 /nfs/dbraw/zinc/35/87/87/939358787.db2.gz LDNKHYHZSBZZCF-KGLIPLIRSA-N 2 0 306.410 0.723 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001267148535 939359173 /nfs/dbraw/zinc/35/91/73/939359173.db2.gz LDNKHYHZSBZZCF-UONOGXRCSA-N 2 0 306.410 0.723 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1=O ZINC001267429055 939454219 /nfs/dbraw/zinc/45/42/19/939454219.db2.gz MHURLDJNHQWDSZ-HUUCEWRRSA-N 2 0 322.453 0.163 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267560612 939500706 /nfs/dbraw/zinc/50/07/06/939500706.db2.gz BCZWGTMBADFMHW-LSDHHAIUSA-N 2 0 322.453 0.211 20 30 DCEDRP CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](CC#CCOC)C1)[NH+](C)C ZINC001481440427 939792840 /nfs/dbraw/zinc/79/28/40/939792840.db2.gz ZJJZYHHYXIHEJN-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001481461593 939875246 /nfs/dbraw/zinc/87/52/46/939875246.db2.gz FKWPEVGKWTUTFG-HNNXBMFYSA-N 2 0 307.438 0.152 20 30 DCEDRP C=CCCC[NH+]1CCN(CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001481473772 939887714 /nfs/dbraw/zinc/88/77/14/939887714.db2.gz HGPXVRLBIIYAQY-KRWDZBQOSA-N 2 0 322.497 0.980 20 30 DCEDRP C#CCN1C[C@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001273145355 945327721 /nfs/dbraw/zinc/32/77/21/945327721.db2.gz WJWKWVUXBDMNGC-DOTOQJQBSA-N 2 0 305.422 0.265 20 30 DCEDRP COCC#CCN1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269097039 940618087 /nfs/dbraw/zinc/61/80/87/940618087.db2.gz NLJVRUCSMVKGNO-DLBZAZTESA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001284519524 940716064 /nfs/dbraw/zinc/71/60/64/940716064.db2.gz KCDCMVCHHDWHBD-INIZCTEOSA-N 2 0 309.454 0.637 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001269718821 940763154 /nfs/dbraw/zinc/76/31/54/940763154.db2.gz DRZJDLTVXVVFGQ-SJLPKXTDSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001284737072 940807113 /nfs/dbraw/zinc/80/71/13/940807113.db2.gz KHRCKQVJYYCUJE-VXGBXAGGSA-N 2 0 305.344 0.940 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001270065909 940828082 /nfs/dbraw/zinc/82/80/82/940828082.db2.gz AKQMSNANRSOREJ-MRXNPFEDSA-N 2 0 307.438 0.701 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)CC#CCOC ZINC001505452659 941481474 /nfs/dbraw/zinc/48/14/74/941481474.db2.gz LJWJDDMFQQGDJF-MRXNPFEDSA-N 2 0 309.454 0.901 20 30 DCEDRP C#CCC[NH2+]C1CCN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001271932990 941483352 /nfs/dbraw/zinc/48/33/52/941483352.db2.gz YOPZITOTTSJZQE-QGZVFWFLSA-N 2 0 322.497 0.766 20 30 DCEDRP C=CCC[NH2+]C1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001271933039 941483498 /nfs/dbraw/zinc/48/34/98/941483498.db2.gz ZXLKJEWVRRPOJC-HNNXBMFYSA-N 2 0 308.470 0.684 20 30 DCEDRP CC#CCN1CCC[C@@](CO)(NC(=O)Cn2cncc2C)C1 ZINC001271973595 941496629 /nfs/dbraw/zinc/49/66/29/941496629.db2.gz LXEKMKXHLRYYNE-MRXNPFEDSA-N 2 0 304.394 0.158 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]CCCO)C(C)C)CC1 ZINC001482570680 941510627 /nfs/dbraw/zinc/51/06/27/941510627.db2.gz DQNFFRWZVDUPJQ-INIZCTEOSA-N 2 0 309.454 0.444 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)c1sccc1C[NH+](C)C ZINC001482736753 941649726 /nfs/dbraw/zinc/64/97/26/941649726.db2.gz ZVMAPGQZNOTYPY-ZDUSSCGKSA-N 2 0 309.435 0.513 20 30 DCEDRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH2+]CC#CCOC)C1 ZINC001483257567 942211977 /nfs/dbraw/zinc/21/19/77/942211977.db2.gz FARNXHXUONKHSO-HOTGVXAUSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCO)C1CCCC1 ZINC001484000429 943078785 /nfs/dbraw/zinc/07/87/85/943078785.db2.gz FURGXSOZPCARRW-SJORKVTESA-N 2 0 321.465 0.731 20 30 DCEDRP C#CCC[N@H+]1CC[C@@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001484063070 943128193 /nfs/dbraw/zinc/12/81/93/943128193.db2.gz OBAPSSTZQKJHRC-QGZVFWFLSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCOCC1 ZINC001484190655 943179799 /nfs/dbraw/zinc/17/97/99/943179799.db2.gz XHKFVJYDHFGRDN-UHFFFAOYSA-N 2 0 305.422 0.361 20 30 DCEDRP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484234171 943235223 /nfs/dbraw/zinc/23/52/23/943235223.db2.gz SQNIPOXTAGJCPB-KRWDZBQOSA-N 2 0 309.454 0.847 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001484347078 943331008 /nfs/dbraw/zinc/33/10/08/943331008.db2.gz MFEUWQZCGHZFFY-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C ZINC001484459866 943404625 /nfs/dbraw/zinc/40/46/25/943404625.db2.gz YYSXAPRVUITJTE-ZACQAIPSSA-N 2 0 319.449 0.796 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001491110122 943763543 /nfs/dbraw/zinc/76/35/43/943763543.db2.gz FEBVRZSFQVRVMN-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001276586231 944224853 /nfs/dbraw/zinc/22/48/53/944224853.db2.gz FMIMNROOVMSGOQ-BZUAXINKSA-N 2 0 321.465 0.803 20 30 DCEDRP C#CCN1C[C@@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001272887783 944300014 /nfs/dbraw/zinc/30/00/14/944300014.db2.gz KAWLTRWBLYFZSD-KRWDZBQOSA-N 2 0 305.422 0.265 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001316962987 944689309 /nfs/dbraw/zinc/68/93/09/944689309.db2.gz IZMBWEHVOJHAAM-HZPDHXFCSA-N 2 0 308.470 0.637 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001277676653 944939836 /nfs/dbraw/zinc/93/98/36/944939836.db2.gz AHVSBHLQJVTAAN-CVEARBPZSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246311271 945379545 /nfs/dbraw/zinc/37/95/45/945379545.db2.gz LDEMYWLBATXUAC-KBPBESRZSA-N 2 0 311.426 0.324 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)C[C@@H]2CCOC2)CC1 ZINC001320090834 945738793 /nfs/dbraw/zinc/73/87/93/945738793.db2.gz QBKIRSNZYOVIMO-INIZCTEOSA-N 2 0 321.465 0.758 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]C[C@@H](C)OC)CC1 ZINC001273205016 945827430 /nfs/dbraw/zinc/82/74/30/945827430.db2.gz RDEDPXPZKQCAIQ-HUUCEWRRSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CC2(O)CCOCC2)CC1 ZINC001252966040 946046826 /nfs/dbraw/zinc/04/68/26/946046826.db2.gz SHVCHUZFODNSTD-UHFFFAOYSA-N 2 0 323.481 0.820 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001321609159 946398190 /nfs/dbraw/zinc/39/81/90/946398190.db2.gz LQUXUYMCZLRIRM-KGLIPLIRSA-N 2 0 324.469 0.646 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCCO)C2CC2)CC1 ZINC001323112490 946937324 /nfs/dbraw/zinc/93/73/24/946937324.db2.gz IFKOPESXCJQDSA-INIZCTEOSA-N 2 0 307.438 0.198 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001324518391 947447917 /nfs/dbraw/zinc/44/79/17/947447917.db2.gz TXJLZABIFDRGOR-KRWDZBQOSA-N 2 0 321.465 0.997 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001179476036 947849441 /nfs/dbraw/zinc/84/94/41/947849441.db2.gz HDCLSPYKFQTHBJ-HOCLYGCPSA-N 2 0 307.438 0.557 20 30 DCEDRP CC#CC[NH2+]C1CCN(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001325806438 947929729 /nfs/dbraw/zinc/92/97/29/947929729.db2.gz YKFWZVKNUNUBML-MRXNPFEDSA-N 2 0 320.481 0.522 20 30 DCEDRP CC(C)[C@H](C(=O)NCC[NH+]1CCC(NCC#N)CC1)[NH+](C)C ZINC001325805765 947930418 /nfs/dbraw/zinc/93/04/18/947930418.db2.gz LWNZZJSRRPSOJA-OAHLLOKOSA-N 2 0 309.458 0.266 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001327563742 948552125 /nfs/dbraw/zinc/55/21/25/948552125.db2.gz NFGZGKMIHFJKFT-JZXOWHBKSA-N 2 0 321.465 0.683 20 30 DCEDRP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001327590950 948562946 /nfs/dbraw/zinc/56/29/46/948562946.db2.gz JCRPSSVPCHPIJN-KRWDZBQOSA-N 2 0 309.454 0.847 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001327898646 948656068 /nfs/dbraw/zinc/65/60/68/948656068.db2.gz CQGNOVHGMVTTHY-JKSUJKDBSA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001328172915 948730780 /nfs/dbraw/zinc/73/07/80/948730780.db2.gz WWHKYINKRXXTLS-MRXNPFEDSA-N 2 0 321.465 0.827 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001264008351 948828314 /nfs/dbraw/zinc/82/83/14/948828314.db2.gz MHWMOYVSEMOVAH-IKGGRYGDSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001488880125 949346724 /nfs/dbraw/zinc/34/67/24/949346724.db2.gz MLQPYAHHGYRDMS-DSPLQEQRSA-N 2 0 321.465 0.993 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCOCC)C2)CC1 ZINC001265235457 949479058 /nfs/dbraw/zinc/47/90/58/949479058.db2.gz PSXITCAIIJQFOA-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1COCCN1C1CCCC1 ZINC001329514618 949650566 /nfs/dbraw/zinc/65/05/66/949650566.db2.gz FREBJLFATYSASV-GDBMZVCRSA-N 2 0 307.438 0.700 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001490280508 950498058 /nfs/dbraw/zinc/49/80/58/950498058.db2.gz ZYQKHSOOZYMXEZ-KGLIPLIRSA-N 2 0 310.442 0.067 20 30 DCEDRP C=C(Cl)C[NH2+]CCN(CCO)C(=O)C12CCC[NH+]1CCC2 ZINC001279753276 950689029 /nfs/dbraw/zinc/68/90/29/950689029.db2.gz FHKNLIFLULSXTM-UHFFFAOYSA-N 2 0 315.845 0.778 20 30 DCEDRP C#CCN1CCN(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001490494608 950746167 /nfs/dbraw/zinc/74/61/67/950746167.db2.gz LGXWOVPELYXEDL-SJORKVTESA-N 2 0 318.465 0.370 20 30 DCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCCC[NH+]1CCOCC1)C2 ZINC001331321858 951073003 /nfs/dbraw/zinc/07/30/03/951073003.db2.gz CADRGVDPHCLGHL-CKDBGZEDSA-N 2 0 320.437 0.354 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CCCO)C2)CC1 ZINC001274296532 951542595 /nfs/dbraw/zinc/54/25/95/951542595.db2.gz DPVQASPTBNYSOY-ZBFHGGJFSA-N 2 0 307.438 0.151 20 30 DCEDRP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001332677760 951759116 /nfs/dbraw/zinc/75/91/16/951759116.db2.gz UJOSBBHYBUTBRA-DLBZAZTESA-N 2 0 323.481 0.881 20 30 DCEDRP CC#CC[NH+]1CCC(CO)(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001274941239 951897031 /nfs/dbraw/zinc/89/70/31/951897031.db2.gz KSCJTQSXXOUXTL-IYBDPMFKSA-N 2 0 321.465 0.826 20 30 DCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001335301677 952515978 /nfs/dbraw/zinc/51/59/78/952515978.db2.gz QJDOXPCPFSRRNW-AWEZNQCLSA-N 2 0 308.426 0.769 20 30 DCEDRP C#CC[NH2+]CCCOC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001276170665 952965030 /nfs/dbraw/zinc/96/50/30/952965030.db2.gz KUXLPZPABZZQCY-INIZCTEOSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001340221401 953154932 /nfs/dbraw/zinc/15/49/32/953154932.db2.gz DDZIWCVPACEDPB-HOCLYGCPSA-N 3 0 308.470 0.955 20 30 DCEDRP C=CCCC[C@H]([NH3+])C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC001340658773 953185891 /nfs/dbraw/zinc/18/58/91/953185891.db2.gz KJOORIPEVHGVDE-HNNXBMFYSA-N 2 0 324.469 0.777 20 30 DCEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1C[NH2+]CCN1C)C(C)C ZINC001341661531 953243309 /nfs/dbraw/zinc/24/33/09/953243309.db2.gz DBFAGKGJGXRXFY-HOTGVXAUSA-N 2 0 308.470 0.705 20 30 DCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1C[NH2+]CCN1C)C(C)C ZINC001341661532 953243877 /nfs/dbraw/zinc/24/38/77/953243877.db2.gz DBFAGKGJGXRXFY-HZPDHXFCSA-N 2 0 308.470 0.705 20 30 DCEDRP C=CC[C@@]1(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)CCC[NH2+]1 ZINC001343591530 953356243 /nfs/dbraw/zinc/35/62/43/953356243.db2.gz GLMWWBOZKQCSSB-UAGQMJEPSA-N 2 0 323.437 0.027 20 30 DCEDRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C#CC3CC[NH2+]CC3)C2)C1 ZINC001347157767 954035584 /nfs/dbraw/zinc/03/55/84/954035584.db2.gz SIXHZWZBWUTGIE-BBWFWOEESA-N 2 0 319.449 0.734 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[NH2+]CCC12CCOCC2 ZINC001353225048 955986160 /nfs/dbraw/zinc/98/61/60/955986160.db2.gz HFTCEVAPNLHIIC-UHFFFAOYSA-N 2 0 305.422 0.361 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]C[C@@H]2CCCCO2)CC1 ZINC001491682246 959041693 /nfs/dbraw/zinc/04/16/93/959041693.db2.gz JHIPIUZZYZLDPE-RDJZCZTQSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2cnn(C)c2)CC1 ZINC001491682248 959043063 /nfs/dbraw/zinc/04/30/63/959043063.db2.gz JLLNYWXBAJHNSN-AWEZNQCLSA-N 2 0 317.437 0.360 20 30 DCEDRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC#CCOC ZINC001316740390 960127939 /nfs/dbraw/zinc/12/79/39/960127939.db2.gz IUKULVFZYLHRCF-HRCADAONSA-N 2 0 307.438 0.557 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001379884119 962212121 /nfs/dbraw/zinc/21/21/21/962212121.db2.gz XKXOPMFTGOGMKY-OLZOCXBDSA-N 2 0 303.834 0.490 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC001379470044 962997080 /nfs/dbraw/zinc/99/70/80/962997080.db2.gz RPSHVDXQTPJKDC-HNNXBMFYSA-N 2 0 304.394 0.077 20 30 DCEDRP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001507036923 1015907788 /nfs/dbraw/zinc/90/77/88/1015907788.db2.gz NKOKWIXKYFBIRP-DOTOQJQBSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001502567593 1015974091 /nfs/dbraw/zinc/97/40/91/1015974091.db2.gz HPHPZCKJPGTANH-NVXWUHKLSA-N 2 0 309.454 0.988 20 30 DCEDRP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001502586022 1015984654 /nfs/dbraw/zinc/98/46/54/1015984654.db2.gz CSQOCHLMJXNTPN-KRWDZBQOSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+]C(C)C)CCOCC2)CC1 ZINC001502644104 1016012505 /nfs/dbraw/zinc/01/25/05/1016012505.db2.gz VWJSSWGNGPCNDT-UHFFFAOYSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001505389990 1016204937 /nfs/dbraw/zinc/20/49/37/1016204937.db2.gz IDCQAFCEPVFUOP-UHFFFAOYSA-N 2 0 321.465 0.685 20 30 DCEDRP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001505606966 1016351308 /nfs/dbraw/zinc/35/13/08/1016351308.db2.gz YNYWSUDSGLBTCF-KBPBESRZSA-N 2 0 305.426 0.564 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCOCC)CC1 ZINC001505762162 1016532220 /nfs/dbraw/zinc/53/22/20/1016532220.db2.gz YKHAIADMPAFFFR-CABCVRRESA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001508029680 1016613760 /nfs/dbraw/zinc/61/37/60/1016613760.db2.gz RETKLLKSVXOYJZ-CQSZACIVSA-N 2 0 324.469 0.505 20 30 DCEDRP C#CC[NH2+]CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001514581245 1016981102 /nfs/dbraw/zinc/98/11/02/1016981102.db2.gz JRMKWYVANLPORE-MRXNPFEDSA-N 2 0 302.422 0.694 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001506888508 1017644964 /nfs/dbraw/zinc/64/49/64/1017644964.db2.gz IQZKXZUBKVQOQG-WKILWMFISA-N 2 0 319.449 0.749 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001506896794 1017650276 /nfs/dbraw/zinc/65/02/76/1017650276.db2.gz YKNCSSFLGJQGMZ-CTYIDZIISA-N 2 0 322.453 0.115 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001499620507 1018002631 /nfs/dbraw/zinc/00/26/31/1018002631.db2.gz XDTLJRUKNNLZCC-AEFFLSMTSA-N 2 0 319.449 0.512 20 30 DCEDRP C#CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001500418324 1018444636 /nfs/dbraw/zinc/44/46/36/1018444636.db2.gz TYCXVTTXTKMRNR-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001480344315 1018451149 /nfs/dbraw/zinc/45/11/49/1018451149.db2.gz CFEHUVAMXLMRKX-HNNXBMFYSA-N 2 0 317.437 0.662 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480388431 1018485851 /nfs/dbraw/zinc/48/58/51/1018485851.db2.gz XSXQUBHGJSNYOZ-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCOC(C)C)C2)CC1 ZINC001480624902 1018719910 /nfs/dbraw/zinc/71/99/10/1018719910.db2.gz XMDWHYLDIJPNAE-KRWDZBQOSA-N 2 0 321.465 0.947 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]CC#CCOC)C1 ZINC001480709919 1018794535 /nfs/dbraw/zinc/79/45/35/1018794535.db2.gz TZCAVTVTADHORM-HOTGVXAUSA-N 2 0 309.454 0.995 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001498306486 1018927984 /nfs/dbraw/zinc/92/79/84/1018927984.db2.gz QMDOYOVBTJKNRM-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[N@H+]1CC[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001494066470 1019958946 /nfs/dbraw/zinc/95/89/46/1019958946.db2.gz LRUFTKXIAZJRPQ-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP CN1CC[NH+]=C1NCc1ccc(CNC2=[NH+]CCN2C)cc1 ZINC000262475829 529779042 /nfs/dbraw/zinc/77/90/42/529779042.db2.gz BXIPKSCUOLFFHP-UHFFFAOYSA-N 2 0 300.410 0.469 20 30 DCEDRP CCNC(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)=[NH+]CC ZINC000066245384 396004345 /nfs/dbraw/zinc/00/43/45/396004345.db2.gz RHHTUSNNVSKAMY-INIZCTEOSA-N 2 0 304.438 0.981 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000077823451 396235003 /nfs/dbraw/zinc/23/50/03/396235003.db2.gz XSCSVKIOMOAQOA-UHFFFAOYSA-N 2 0 310.442 0.393 20 30 DCEDRP N#CC[C@@]1(O)CC[NH+](CCCCC[N@H+]2CC[C@](O)(CC#N)C2)C1 ZINC000592150792 397107368 /nfs/dbraw/zinc/10/73/68/397107368.db2.gz GPLXUEXPUVMDKW-IAGOWNOFSA-N 2 0 320.437 0.858 20 30 DCEDRP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2)C1 ZINC000598595237 397253228 /nfs/dbraw/zinc/25/32/28/397253228.db2.gz HFNSAOBPCHRIGM-JKSUJKDBSA-N 2 0 308.470 0.999 20 30 DCEDRP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000491120724 397500168 /nfs/dbraw/zinc/50/01/68/397500168.db2.gz NARYLHXTTJFTIS-JKSUJKDBSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000343734767 415701520 /nfs/dbraw/zinc/70/15/20/415701520.db2.gz DXPSYLFGVIOXNR-HIFRSBDPSA-N 2 0 322.453 0.352 20 30 DCEDRP C[C@@H](NC(=O)NCC1(O)CC[NH+](C)CC1)C1=CC[N@H+](C)CC1 ZINC000329274227 416159232 /nfs/dbraw/zinc/15/92/32/416159232.db2.gz BBCFTZIJKAVBGP-CYBMUJFWSA-N 2 0 310.442 0.597 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000419722059 416405884 /nfs/dbraw/zinc/40/58/84/416405884.db2.gz DCHHIKABMVZTKQ-AWEZNQCLSA-N 2 0 310.442 0.243 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000491417048 416599131 /nfs/dbraw/zinc/59/91/31/416599131.db2.gz MKTCCDBDWMDUBN-UHFFFAOYSA-N 2 0 315.425 0.078 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000490687189 416570432 /nfs/dbraw/zinc/57/04/32/416570432.db2.gz ACBUFJWSDIXVPI-INIZCTEOSA-N 2 0 319.449 0.512 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)N2CC[NH+](CC)CC2)CC1 ZINC000490649656 416571682 /nfs/dbraw/zinc/57/16/82/416571682.db2.gz ITSFLJHUWANJCZ-MRXNPFEDSA-N 2 0 320.481 0.474 20 30 DCEDRP C#CCN1CCN(C(=O)CN2CC[C@@H](C[N@@H+](C)CCC)C2)CC1 ZINC000490779200 416574969 /nfs/dbraw/zinc/57/49/69/416574969.db2.gz SJGBPIQIWVLNLJ-KRWDZBQOSA-N 2 0 320.481 0.428 20 30 DCEDRP C#CCN1CCN(C(=O)CN2CC[C@H](C[N@@H+](C)CCC)C2)CC1 ZINC000490779201 416576005 /nfs/dbraw/zinc/57/60/05/416576005.db2.gz SJGBPIQIWVLNLJ-QGZVFWFLSA-N 2 0 320.481 0.428 20 30 DCEDRP C=CC[C@@]1(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCC[NH2+]1 ZINC000662737466 417879872 /nfs/dbraw/zinc/87/98/72/417879872.db2.gz ZOVXPSZDLHLHEU-YJBOKZPZSA-N 2 0 320.481 0.969 20 30 DCEDRP C=CC[C@@]1(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)CCC[NH2+]1 ZINC000662746779 417882056 /nfs/dbraw/zinc/88/20/56/417882056.db2.gz ROUMZUQITAIXFC-RDJZCZTQSA-N 2 0 307.438 0.865 20 30 DCEDRP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001656784548 1173885111 /nfs/dbraw/zinc/88/51/11/1173885111.db2.gz SQILACRHBGXJDA-HZPDHXFCSA-N 2 0 309.454 0.635 20 30 DCEDRP CSC1(C[NH2+]C[C@H](O)CN(C)CCC#N)CC[NH+](C)CC1 ZINC000521427604 333381664 /nfs/dbraw/zinc/38/16/64/333381664.db2.gz KFRLMZQZLNXYAD-AWEZNQCLSA-N 2 0 314.499 0.610 20 30 DCEDRP COCC#CC[N@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001570215999 1159210274 /nfs/dbraw/zinc/21/02/74/1159210274.db2.gz RCHKXEXJTDJVBQ-UHFFFAOYSA-N 2 0 307.438 0.512 20 30 DCEDRP CC[N@@H+](CC#CCOC)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001566554390 1160057618 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CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN(C)CC(F)(F)F ZINC000304757474 685211566 /nfs/dbraw/zinc/21/15/66/685211566.db2.gz OXUWCXMUHXNTFG-LLVKDONJSA-N 2 0 309.380 0.869 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1CC ZINC001037970180 693976200 /nfs/dbraw/zinc/97/62/00/693976200.db2.gz MORAXNJFSRMKIR-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP C=CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958171748 687403458 /nfs/dbraw/zinc/40/34/58/687403458.db2.gz LERXYJFRGLJBBL-LSDHHAIUSA-N 2 0 307.438 0.457 20 30 DCEDRP C=CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000958481139 687694804 /nfs/dbraw/zinc/69/48/04/687694804.db2.gz NLOYMNMPMWNZBJ-DLBZAZTESA-N 2 0 317.433 0.957 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CCCO)CC[C@H]2C)CC1 ZINC000968682942 690365518 /nfs/dbraw/zinc/36/55/18/690365518.db2.gz WKNANCZBGUFZNR-WBVHZDCISA-N 2 0 321.465 0.541 20 30 DCEDRP C#CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001001424690 690544484 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20 30 DCEDRP C#CC[NH2+]CCCOCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001571353595 1162715627 /nfs/dbraw/zinc/71/56/27/1162715627.db2.gz CPEPTCIMXMPAFC-HZPDHXFCSA-N 2 0 307.438 0.749 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC#CCOC)C1CC1 ZINC001670480025 1157448592 /nfs/dbraw/zinc/44/85/92/1157448592.db2.gz LSQWJNIKXBTTIZ-IAGOWNOFSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001753994589 1157456764 /nfs/dbraw/zinc/45/67/64/1157456764.db2.gz BOPVOFWUVRAPQS-CYBMUJFWSA-N 2 0 310.442 0.115 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001691163742 1157602445 /nfs/dbraw/zinc/60/24/45/1157602445.db2.gz DHKBYTLPZBELLC-RBSFLKMASA-N 2 0 322.453 0.209 20 30 DCEDRP C#CCC[N@@H+](CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001691236349 1157617904 /nfs/dbraw/zinc/61/79/04/1157617904.db2.gz AWRNATAWPHKSCZ-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001571664765 1162883338 /nfs/dbraw/zinc/88/33/38/1162883338.db2.gz VLKFLGJCPINEGW-ZBCRRDGASA-N 2 0 324.469 0.454 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCCn2ccnc2)CCO1 ZINC001755017653 1157908512 /nfs/dbraw/zinc/90/85/12/1157908512.db2.gz NBTVLJCVFNVKHW-OAHLLOKOSA-N 2 0 304.394 0.504 20 30 DCEDRP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)CN1CCOCC1 ZINC001755200441 1158011311 /nfs/dbraw/zinc/01/13/11/1158011311.db2.gz KQQZILVYAIDHBN-SJORKVTESA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001755443791 1158141781 /nfs/dbraw/zinc/14/17/81/1158141781.db2.gz DEFWXJLDIKZXSI-GJZGRUSLSA-N 2 0 309.454 0.803 20 30 DCEDRP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001566036263 1159952279 /nfs/dbraw/zinc/95/22/79/1159952279.db2.gz XMYRZSGXXGQKFP-INIZCTEOSA-N 2 0 309.454 0.637 20 30 DCEDRP C=CCNC(=O)C[N@H+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001566471068 1159999033 /nfs/dbraw/zinc/99/90/33/1159999033.db2.gz KMNKWQPFDCLPKP-UHFFFAOYSA-N 2 0 322.453 0.355 20 30 DCEDRP CC[N@@H+](CC#CCOC)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001566554392 1160056084 /nfs/dbraw/zinc/05/60/84/1160056084.db2.gz DGMCBPSEWVVROK-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001566905290 1160181549 /nfs/dbraw/zinc/18/15/49/1160181549.db2.gz OVYCKPTZFOJESN-IAGOWNOFSA-N 2 0 321.465 0.806 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001567142966 1160255397 /nfs/dbraw/zinc/25/53/97/1160255397.db2.gz GSNRMDNDLZZCRG-HNNXBMFYSA-N 2 0 317.437 0.520 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001567399697 1160346825 /nfs/dbraw/zinc/34/68/25/1160346825.db2.gz CILLKBCCLMRYBF-DLBZAZTESA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[NH2+][C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)C(C)C ZINC001568465930 1160652044 /nfs/dbraw/zinc/65/20/44/1160652044.db2.gz MWIWFKDJYPJAKO-INIZCTEOSA-N 2 0 319.453 0.812 20 30 DCEDRP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCOC)CC1 ZINC001569596349 1161161492 /nfs/dbraw/zinc/16/14/92/1161161492.db2.gz XJEQLOMZKCZOFZ-OAHLLOKOSA-N 2 0 307.438 0.511 20 30 DCEDRP C=CCCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001569749239 1161222930 /nfs/dbraw/zinc/22/29/30/1161222930.db2.gz RFLMGDRPOSGUDS-WMZOPIPTSA-N 2 0 321.465 0.847 20 30 DCEDRP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001569765821 1161234768 /nfs/dbraw/zinc/23/47/68/1161234768.db2.gz RSUAAGNAWLADRD-DOTOQJQBSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001569811281 1161257353 /nfs/dbraw/zinc/25/73/53/1161257353.db2.gz OOYQWWWAJQCYKH-HUUCEWRRSA-N 2 0 317.437 0.518 20 30 DCEDRP C=CCNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001570200918 1161487244 /nfs/dbraw/zinc/48/72/44/1161487244.db2.gz LLJRMCZWQKVJKP-OAHLLOKOSA-N 2 0 324.469 0.553 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)Nc2nn(C)c(C)c2C[NH3+])CC1 ZINC001574936984 1163807509 /nfs/dbraw/zinc/80/75/09/1163807509.db2.gz QPMAKMQIBFFSTM-UHFFFAOYSA-N 2 0 306.414 0.959 20 30 DCEDRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@H]([NH3+])CCCC#N ZINC001578525133 1165042690 /nfs/dbraw/zinc/04/26/90/1165042690.db2.gz RSMHNBDXOWRZEA-OAHLLOKOSA-N 2 0 309.458 0.492 20 30 DCEDRP C#CCC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC001618545495 1171399178 /nfs/dbraw/zinc/39/91/78/1171399178.db2.gz MLFPRJZYMZAIQQ-HZPDHXFCSA-N 2 0 307.438 0.436 20 30 DCEDRP C[N@@H+]1C[C@@H]2CN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)C[C@]2(C)C1 ZINC001650413938 1173628126 /nfs/dbraw/zinc/62/81/26/1173628126.db2.gz FAEDFWXLFMZKPV-SJUKIULCSA-N 2 0 302.422 0.536 20 30 DCEDRP C#CCNC(=O)CC[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC001653931721 1173797971 /nfs/dbraw/zinc/79/79/71/1173797971.db2.gz UKDHLCGXJKAEEQ-UHFFFAOYSA-N 2 0 320.481 0.618 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001660369260 1173983995 /nfs/dbraw/zinc/98/39/95/1173983995.db2.gz UWHGIDHPWPWWRS-CQSZACIVSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001660925500 1174069891 /nfs/dbraw/zinc/06/98/91/1174069891.db2.gz NBMNWEZPAWSSLY-QGZVFWFLSA-N 2 0 318.465 0.085 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]C[C@@H]2CCOC2)CC1 ZINC001663014273 1174257090 /nfs/dbraw/zinc/25/70/90/1174257090.db2.gz QFTNUGCZAYNXSY-HOTGVXAUSA-N 2 0 321.465 0.853 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001667743313 1174706515 /nfs/dbraw/zinc/70/65/15/1174706515.db2.gz FJGAAXPWVNTHSQ-HOTGVXAUSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001667847695 1174723721 /nfs/dbraw/zinc/72/37/21/1174723721.db2.gz DGINDQWMVFYULB-OAHLLOKOSA-N 2 0 309.454 0.729 20 30 DCEDRP COCC#CC[NH2+]C/C=C/CNC(=O)COC1CC[NH+](C)CC1 ZINC001669111391 1174893827 /nfs/dbraw/zinc/89/38/27/1174893827.db2.gz IURDQROVIWRDCV-ONEGZZNKSA-N 2 0 323.437 0.009 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001669139432 1174898808 /nfs/dbraw/zinc/89/88/08/1174898808.db2.gz ONHUMHSOVLMKTD-ISZGNANSSA-N 2 0 320.437 0.035 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001671604483 1175021801 /nfs/dbraw/zinc/02/18/01/1175021801.db2.gz ZSUHODSMSBTUKH-QGZVFWFLSA-N 2 0 320.481 0.570 20 30 DCEDRP C=CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001672442755 1175107940 /nfs/dbraw/zinc/10/79/40/1175107940.db2.gz MHDVIPMWFWMIRX-ZNMIVQPWSA-N 2 0 322.453 0.019 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CCN2CCOCC2)C(C)(C)C1 ZINC001674029026 1175246490 /nfs/dbraw/zinc/24/64/90/1175246490.db2.gz OFAOKTYNQPRGKT-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCOCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001674925891 1175310029 /nfs/dbraw/zinc/31/00/29/1175310029.db2.gz REKGTSQHZJUBOA-GDBMZVCRSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCOCC)CC1 ZINC001675048335 1175322680 /nfs/dbraw/zinc/32/26/80/1175322680.db2.gz DIAIJLSJIHVKKT-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001676679939 1175475979 /nfs/dbraw/zinc/47/59/79/1175475979.db2.gz GBKGXXVMTWCEIT-ZBFHGGJFSA-N 2 0 307.438 0.700 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001676692136 1175476596 /nfs/dbraw/zinc/47/65/96/1175476596.db2.gz AVFRUUZUMRAUPC-KGLIPLIRSA-N 2 0 310.442 0.208 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001690155580 1177182625 /nfs/dbraw/zinc/18/26/25/1177182625.db2.gz DRLPQBSTTZEWIK-SJORKVTESA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1c1cnn(C)c1 ZINC001691978482 1177395923 /nfs/dbraw/zinc/39/59/23/1177395923.db2.gz IEQZNQXXMNBPAA-JKSUJKDBSA-N 2 0 317.437 0.279 20 30 DCEDRP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001692233397 1177453856 /nfs/dbraw/zinc/45/38/56/1177453856.db2.gz KQQLILKLWJZXMA-IXDOHACOSA-N 2 0 321.465 0.635 20 30 DCEDRP C#CCC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001692241243 1177457364 /nfs/dbraw/zinc/45/73/64/1177457364.db2.gz HELMWTISWFXHHU-IRXDYDNUSA-N 2 0 321.465 0.637 20 30 DCEDRP COCC#CC[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001699694331 1178252497 /nfs/dbraw/zinc/25/24/97/1178252497.db2.gz HTQXJAJWUFCLCA-UHFFFAOYSA-N 2 0 321.465 0.902 20 30 DCEDRP C=CCCC[N@H+]1CC[C@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001699900462 1178352071 /nfs/dbraw/zinc/35/20/71/1178352071.db2.gz GEWKZFJTUQYSOL-KRWDZBQOSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001700241748 1178550152 /nfs/dbraw/zinc/55/01/52/1178550152.db2.gz JXAZKDFYCFHJRV-SFHVURJKSA-N 2 0 321.465 0.829 20 30 DCEDRP C=CC[NH+]1CCC(CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001700337078 1178586672 /nfs/dbraw/zinc/58/66/72/1178586672.db2.gz XOCSAJUMERQJDL-HNNXBMFYSA-N 2 0 307.438 0.457 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+]C[C@@H](C)O)C2)CC1 ZINC001700381717 1178603937 /nfs/dbraw/zinc/60/39/37/1178603937.db2.gz AEHCYMJKGMBTGB-VQCLRJIVSA-N 2 0 307.438 0.197 20 30 DCEDRP C#CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001700609550 1178679362 /nfs/dbraw/zinc/67/93/62/1178679362.db2.gz DQGSUFCOFSFIPO-GOEBONIOSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001700947477 1178824155 /nfs/dbraw/zinc/82/41/55/1178824155.db2.gz SGHVHBRYZGRJEY-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001700965621 1178848275 /nfs/dbraw/zinc/84/82/75/1178848275.db2.gz YKXJBUOUDBKPBO-SJORKVTESA-N 2 0 323.481 0.881 20 30 DCEDRP COCC#CC[N@H+](C)CCN(C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001700976464 1178856109 /nfs/dbraw/zinc/85/61/09/1178856109.db2.gz VIYKOSYIHNTFFJ-UHFFFAOYSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001707209306 1180436137 /nfs/dbraw/zinc/43/61/37/1180436137.db2.gz QPMNGJIZDFXLGF-JKSUJKDBSA-N 2 0 309.454 0.800 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](CC)C[C@H](C)O)CC1 ZINC001707469626 1180528077 /nfs/dbraw/zinc/52/80/77/1180528077.db2.gz GEQXBKRRZADVPI-HNNXBMFYSA-N 2 0 309.454 0.541 20 30 DCEDRP C=CCC[NH+]1CCN(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001713078648 1180671154 /nfs/dbraw/zinc/67/11/54/1180671154.db2.gz YRVZJDPDGDLXIT-INIZCTEOSA-N 2 0 308.470 0.638 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001713149331 1180698057 /nfs/dbraw/zinc/69/80/57/1180698057.db2.gz OXGOAXOGZDIMDO-ILXRZTDVSA-N 2 0 322.453 0.352 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001713234848 1180731800 /nfs/dbraw/zinc/73/18/00/1180731800.db2.gz WNELEIJTDWFMGH-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CC[NH+]1CCN(CCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001713742905 1181037544 /nfs/dbraw/zinc/03/75/44/1181037544.db2.gz ODBNHBBITKEEQS-KRWDZBQOSA-N 2 0 320.481 0.590 20 30 DCEDRP C=CCNC(=O)CN1CCC[C@H](NC(=O)Cn2ccnc2C)C1 ZINC001713793546 1181068772 /nfs/dbraw/zinc/06/87/72/1181068772.db2.gz NELAAQIVXLYNJZ-AWEZNQCLSA-N 2 0 319.409 0.074 20 30 DCEDRP CC#CC[NH2+][C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC001713868950 1181121476 /nfs/dbraw/zinc/12/14/76/1181121476.db2.gz RSEJHEYBQSNPBV-MRXNPFEDSA-N 2 0 321.465 0.853 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC#CCOC)C1CC1 ZINC001713868163 1181121686 /nfs/dbraw/zinc/12/16/86/1181121686.db2.gz NRHDTAWARMGCMG-IRXDYDNUSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001714043331 1181220797 /nfs/dbraw/zinc/22/07/97/1181220797.db2.gz RXRWMNFCGORWAC-INIZCTEOSA-N 2 0 309.454 0.806 20 30 DCEDRP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001714381044 1181343567 /nfs/dbraw/zinc/34/35/67/1181343567.db2.gz XEGILIXAXDOJAH-HZPDHXFCSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001714719149 1181502866 /nfs/dbraw/zinc/50/28/66/1181502866.db2.gz ZSDHYVZXEGOURH-CYBMUJFWSA-N 2 0 310.442 0.209 20 30 DCEDRP COCC#CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001714829745 1181564598 /nfs/dbraw/zinc/56/45/98/1181564598.db2.gz MMULAFDXJHFHRM-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001715379223 1181796556 /nfs/dbraw/zinc/79/65/56/1181796556.db2.gz SSVGENZSBYUHJE-HUUCEWRRSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CC2CCC2)CC1 ZINC001715617276 1181900680 /nfs/dbraw/zinc/90/06/80/1181900680.db2.gz TXSHBJNFEQCKIO-MRXNPFEDSA-N 2 0 307.438 0.198 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)CC[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC001717264622 1182756832 /nfs/dbraw/zinc/75/68/32/1182756832.db2.gz KEFUSFQYEPUBIB-HNNXBMFYSA-N 2 0 307.438 0.749 20 30 DCEDRP C#CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001717303488 1182773431 /nfs/dbraw/zinc/77/34/31/1182773431.db2.gz QJLNNFKQXAZNTN-CQSZACIVSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001717324118 1182782715 /nfs/dbraw/zinc/78/27/15/1182782715.db2.gz ZPUOJUKTULEKGV-HZPDHXFCSA-N 2 0 319.449 0.580 20 30 DCEDRP C#CC[NH2+]CCCOC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001717519408 1182879781 /nfs/dbraw/zinc/87/97/81/1182879781.db2.gz XKTIWDVAMIHKJQ-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]C[C@@H]2CCOC2)CC1 ZINC001717755914 1182979590 /nfs/dbraw/zinc/97/95/90/1182979590.db2.gz AHNKOPPJONBHEV-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001717939332 1183078812 /nfs/dbraw/zinc/07/88/12/1183078812.db2.gz FDMXJLSLJKEBNE-HZPDHXFCSA-N 2 0 309.454 0.635 20 30 DCEDRP C#CCC[NH2+]C1CC(N(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001718000101 1183100520 /nfs/dbraw/zinc/10/05/20/1183100520.db2.gz YKIKOQICCLKEHU-FHERZECASA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001724014042 1184368824 /nfs/dbraw/zinc/36/88/24/1184368824.db2.gz HWPVPGAOKFVHEA-CQSZACIVSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCCO)CC1 ZINC001724064324 1184374974 /nfs/dbraw/zinc/37/49/74/1184374974.db2.gz CROUKZLHSNRVTA-HNNXBMFYSA-N 2 0 307.438 0.247 20 30 DCEDRP C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)C1=O ZINC001724173770 1184397695 /nfs/dbraw/zinc/39/76/95/1184397695.db2.gz MGIAODCDXKIUAP-WMLDXEAASA-N 2 0 322.453 0.306 20 30 DCEDRP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001724552658 1184462400 /nfs/dbraw/zinc/46/24/00/1184462400.db2.gz DVHZFIYHNIOXLC-HZPDHXFCSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@H+](C)CCCO)CC1 ZINC001724859356 1184595607 /nfs/dbraw/zinc/59/56/07/1184595607.db2.gz DPEKDEKNKHVPOU-UHFFFAOYSA-N 2 0 309.454 0.494 20 30 DCEDRP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001724906390 1184614179 /nfs/dbraw/zinc/61/41/79/1184614179.db2.gz WXBPIFIOPRTNHL-WMZOPIPTSA-N 2 0 321.465 0.847 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001725518865 1184855269 /nfs/dbraw/zinc/85/52/69/1184855269.db2.gz VCLAKNQTKIDREZ-ZIAGYGMSSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CCC[NH+]1CCN(CCCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001731361140 1185294184 /nfs/dbraw/zinc/29/41/84/1185294184.db2.gz ODNDBHNFFLGYQV-KRWDZBQOSA-N 2 0 320.481 0.475 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001731441446 1185333576 /nfs/dbraw/zinc/33/35/76/1185333576.db2.gz GDMQGNFZTGPQPU-XDQVBPFNSA-N 2 0 308.426 0.008 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001731674656 1185439878 /nfs/dbraw/zinc/43/98/78/1185439878.db2.gz HSBHMOBAOXTPAS-HNNXBMFYSA-N 2 0 317.437 0.520 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)C[C@@H]2CCOC2)CC1 ZINC001731795048 1185492622 /nfs/dbraw/zinc/49/26/22/1185492622.db2.gz ARTPKLJNGQABRL-HNNXBMFYSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N(C)CC[NH2+]CCc1cnn(C)c1 ZINC001731919668 1185574098 /nfs/dbraw/zinc/57/40/98/1185574098.db2.gz LBLXUGFVDHMJDF-INIZCTEOSA-N 2 0 317.437 0.108 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001732456093 1185825909 /nfs/dbraw/zinc/82/59/09/1185825909.db2.gz WGFHRYOVJFDIIM-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]CC#CCOC)CC[N@@H+]1C ZINC001732853435 1186015693 /nfs/dbraw/zinc/01/56/93/1186015693.db2.gz QHNDVSUGTOKETB-LGZALOBFSA-N 2 0 307.438 0.629 20 30 DCEDRP C=CCC[NH+]1CCC[C@@](CO)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001733587253 1186347637 /nfs/dbraw/zinc/34/76/37/1186347637.db2.gz DLFURKUOMYXTFS-QGZVFWFLSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001733849506 1186474431 /nfs/dbraw/zinc/47/44/31/1186474431.db2.gz WQSQZIMNYIMPIU-CVEARBPZSA-N 2 0 319.449 0.701 20 30 DCEDRP C=CCC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001733913672 1186495588 /nfs/dbraw/zinc/49/55/88/1186495588.db2.gz VRCQWHZRGASYHQ-MRXNPFEDSA-N 2 0 321.465 0.847 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C)C1=O ZINC001734356003 1186621991 /nfs/dbraw/zinc/62/19/91/1186621991.db2.gz IMMUEMPICMOKTI-LSDHHAIUSA-N 2 0 324.469 0.550 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCOCC)C[C@@H]2C)CC1 ZINC001734431305 1186652431 /nfs/dbraw/zinc/65/24/31/1186652431.db2.gz VPOMAWBWHWEAKM-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001734481614 1186663155 /nfs/dbraw/zinc/66/31/55/1186663155.db2.gz QEYKCQLMZZWQDJ-DOTOQJQBSA-N 2 0 321.465 0.853 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001734520578 1186673998 /nfs/dbraw/zinc/67/39/98/1186673998.db2.gz BZWVRMGVLKSEHG-HNNXBMFYSA-N 2 0 307.438 0.295 20 30 DCEDRP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001734547445 1186688267 /nfs/dbraw/zinc/68/82/67/1186688267.db2.gz UASWPZSFCKVMTO-HOTGVXAUSA-N 2 0 309.454 0.635 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001752786623 1188441670 /nfs/dbraw/zinc/44/16/70/1188441670.db2.gz WAFRCMBATMASLM-AWEZNQCLSA-N 2 0 310.442 0.069 20 30 DCEDRP CC#CC[N@H+](C)C[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001754308743 1188816647 /nfs/dbraw/zinc/81/66/47/1188816647.db2.gz FIXODVKZDKZYJT-CQSZACIVSA-N 2 0 305.426 0.518 20 30 DCEDRP C=CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001754753593 1188921722 /nfs/dbraw/zinc/92/17/22/1188921722.db2.gz AKQDTHGGOHVWKA-YQQAZPJKSA-N 2 0 309.454 0.846 20 30 DCEDRP CC#CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCOCC1 ZINC001755097284 1189021959 /nfs/dbraw/zinc/02/19/59/1189021959.db2.gz CRWBZBPSOAYGBN-HOTGVXAUSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001755199917 1189054464 /nfs/dbraw/zinc/05/44/64/1189054464.db2.gz AYXFRHQBYMAOCT-SJORKVTESA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CCOCC)C2)CC1 ZINC001755483762 1189124402 /nfs/dbraw/zinc/12/44/02/1189124402.db2.gz UYULOYXIRFYXIT-JCNLHEQBSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001755796028 1189218695 /nfs/dbraw/zinc/21/86/95/1189218695.db2.gz MXSMYGSJLWLFGQ-QGZVFWFLSA-N 2 0 317.433 0.794 20 30 DCEDRP COCC#CC[NH+]1CCC(C2(NC(=O)CC[NH+](C)C)CC2)CC1 ZINC001755868967 1189240662 /nfs/dbraw/zinc/24/06/62/1189240662.db2.gz NPNWUNKUCZFKOW-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C[N@@H+]1CCO[C@H]2CN(c3ncc4c(c3C#N)CCC[NH2+]C4)C[C@H]21 ZINC001164670344 719370731 /nfs/dbraw/zinc/37/07/31/719370731.db2.gz UQMUXCIZHMFSMF-CVEARBPZSA-N 2 0 313.405 0.508 20 30 DCEDRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001124837625 751721731 /nfs/dbraw/zinc/72/17/31/751721731.db2.gz OVZQPLPZHBUVFL-HNNXBMFYSA-N 2 0 304.369 0.997 20 30 DCEDRP COc1ccc(C#N)cc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124837584 751721803 /nfs/dbraw/zinc/72/18/03/751721803.db2.gz OHWKDFOHZMJJAW-HNNXBMFYSA-N 2 0 316.405 0.867 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107039713 751789167 /nfs/dbraw/zinc/78/91/67/751789167.db2.gz VITCPHQHOIAINV-HUUCEWRRSA-N 2 0 324.469 0.313 20 30 DCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001089895107 751933893 /nfs/dbraw/zinc/93/38/93/751933893.db2.gz YYXCWMUWFXSEJC-QAETUUGQSA-N 2 0 313.445 0.884 20 30 DCEDRP C=CCN1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083783306 751966507 /nfs/dbraw/zinc/96/65/07/751966507.db2.gz KRUPOKUATZHBOA-SJORKVTESA-N 2 0 317.433 0.752 20 30 DCEDRP C#CC[NH+](CCO)C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001098540780 747113039 /nfs/dbraw/zinc/11/30/39/747113039.db2.gz YIESQLIIEZKANC-UHFFFAOYSA-N 2 0 309.454 0.637 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001203203531 747259146 /nfs/dbraw/zinc/25/91/46/747259146.db2.gz NTIXSXVHAXACKO-UHFFFAOYSA-N 2 0 310.442 0.211 20 30 DCEDRP COC(OC)c1c(C#N)ccnc1NC(=[NH2+])NCCCC[NH3+] ZINC001167877396 748457488 /nfs/dbraw/zinc/45/74/88/748457488.db2.gz CKEWEMIOAOCPHM-UHFFFAOYSA-N 2 0 306.370 0.920 20 30 DCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112159887 748922677 /nfs/dbraw/zinc/92/26/77/748922677.db2.gz GAPWCAQYZOCAQM-VXGBXAGGSA-N 2 0 305.344 0.940 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC(C)C)C[C@@H]1O ZINC001083537216 750117337 /nfs/dbraw/zinc/11/73/37/750117337.db2.gz IXRFAFCCXFZXEZ-PMPSAXMXSA-N 2 0 307.438 0.291 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1 ZINC001106840531 751307175 /nfs/dbraw/zinc/30/71/75/751307175.db2.gz RUVMQQRGRPAGLI-HZPDHXFCSA-N 2 0 309.454 0.662 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@H](OC)C1 ZINC001212353497 752645216 /nfs/dbraw/zinc/64/52/16/752645216.db2.gz STXOEQJAIFKHKY-RRFJBIMHSA-N 2 0 313.417 0.505 20 30 DCEDRP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001046032830 753436474 /nfs/dbraw/zinc/43/64/74/753436474.db2.gz OHDMQPXAWALONU-BRWVUGGUSA-N 2 0 318.465 0.178 20 30 DCEDRP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC001046041257 753443894 /nfs/dbraw/zinc/44/38/94/753443894.db2.gz PKHQEWQIRSPLAX-DLBZAZTESA-N 2 0 318.465 0.322 20 30 DCEDRP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001046058148 753453834 /nfs/dbraw/zinc/45/38/34/753453834.db2.gz CYVUPJCFGHSTKT-KRWDZBQOSA-N 2 0 320.481 0.733 20 30 DCEDRP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001046063798 753457786 /nfs/dbraw/zinc/45/77/86/753457786.db2.gz XWJZLHPEQUQTGI-HOTGVXAUSA-N 2 0 306.454 0.178 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046081499 753470724 /nfs/dbraw/zinc/47/07/24/753470724.db2.gz GNRQCJBQELIDIS-QGZVFWFLSA-N 2 0 318.465 0.324 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046501020 753752506 /nfs/dbraw/zinc/75/25/06/753752506.db2.gz HHIGPMKAGDIDQR-HILOLKJVSA-N 2 0 317.433 0.454 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)c1sccc1C[NH+](C)C ZINC001128551511 754085810 /nfs/dbraw/zinc/08/58/10/754085810.db2.gz DGKYQCZASPFTAU-UHFFFAOYSA-N 2 0 324.450 0.431 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001084088093 757668122 /nfs/dbraw/zinc/66/81/22/757668122.db2.gz PNNKRESLKJYMSH-SJORKVTESA-N 2 0 315.417 0.546 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC=C(C)C)C[C@@H]2O)CC1 ZINC001084087917 757668874 /nfs/dbraw/zinc/66/88/74/757668874.db2.gz IBONGOCAFXMPJQ-SJORKVTESA-N 2 0 319.449 0.459 20 30 DCEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@@H](O)C1 ZINC001084091939 757670052 /nfs/dbraw/zinc/67/00/52/757670052.db2.gz XVUGTAASPNWPGR-OAGGEKHMSA-N 2 0 309.454 0.988 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H](C)O)C[C@H]32)CC1 ZINC001084851164 758082467 /nfs/dbraw/zinc/08/24/67/758082467.db2.gz PMVJBYFKPSHPQW-DJIMGWMZSA-N 2 0 319.449 0.245 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)C[C@H](C)O2 ZINC001098570336 762691553 /nfs/dbraw/zinc/69/15/53/762691553.db2.gz HTBQINMXXBXYNU-HOTGVXAUSA-N 2 0 319.449 0.796 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)C[C@@H](C)O2 ZINC001098570335 762691701 /nfs/dbraw/zinc/69/17/01/762691701.db2.gz HTBQINMXXBXYNU-CVEARBPZSA-N 2 0 319.449 0.796 20 30 DCEDRP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001052117844 759190372 /nfs/dbraw/zinc/19/03/72/759190372.db2.gz FCIBETNVXZKCMH-QGZVFWFLSA-N 2 0 318.465 0.324 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCCO)CC1 ZINC001085987201 759546794 /nfs/dbraw/zinc/54/67/94/759546794.db2.gz WTWZONGFWZNOPF-INIZCTEOSA-N 2 0 307.438 0.247 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100124447 760437694 /nfs/dbraw/zinc/43/76/94/760437694.db2.gz IDTDMWYTOINXKR-JKSUJKDBSA-N 2 0 307.438 0.437 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001148292806 767959830 /nfs/dbraw/zinc/95/98/30/767959830.db2.gz UPCMOJMWTSGXHE-HOTGVXAUSA-N 2 0 319.449 0.368 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001108756845 761036874 /nfs/dbraw/zinc/03/68/74/761036874.db2.gz XHCPSRHSABWCRW-ZNMIVQPWSA-N 2 0 322.453 0.209 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1c1cncn1C ZINC001070660514 761381481 /nfs/dbraw/zinc/38/14/81/761381481.db2.gz JPWPKEGMWREWCL-RBSFLKMASA-N 2 0 319.453 0.830 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H](C)O)C2)CC1 ZINC001086882493 768083106 /nfs/dbraw/zinc/08/31/06/768083106.db2.gz SVBTZDZTNQCRNC-HLLBOEOZSA-N 2 0 321.465 0.587 20 30 DCEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130075362 763115243 /nfs/dbraw/zinc/11/52/43/763115243.db2.gz UPRWRCAYPRVPEI-CABCVRRESA-N 2 0 320.441 0.538 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001099938224 763142894 /nfs/dbraw/zinc/14/28/94/763142894.db2.gz SKAIAVKHHJBFMH-HOTGVXAUSA-N 2 0 321.465 0.826 20 30 DCEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123442 763143117 /nfs/dbraw/zinc/14/31/17/763143117.db2.gz RFHISTFECSGKDO-ZNMIVQPWSA-N 2 0 318.425 0.147 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001130423020 763296268 /nfs/dbraw/zinc/29/62/68/763296268.db2.gz HBXOSJCIBMFMDG-HIFRSBDPSA-N 2 0 317.437 0.789 20 30 DCEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100124596 763333991 /nfs/dbraw/zinc/33/39/91/763333991.db2.gz KQXOWQOQQUHWRS-CVEARBPZSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100141540 763346908 /nfs/dbraw/zinc/34/69/08/763346908.db2.gz VPNMUBCELKDUIE-CVEARBPZSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130669523 763427237 /nfs/dbraw/zinc/42/72/37/763427237.db2.gz GAZZXHGVLMOOAK-GOEBONIOSA-N 2 0 319.453 0.832 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001100334928 763501354 /nfs/dbraw/zinc/50/13/54/763501354.db2.gz AUDSTXHJKLIYOX-PREGVCBESA-N 2 0 319.449 0.462 20 30 DCEDRP N#C[C@@H](Nc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1)C(N)=O ZINC001170536897 763636832 /nfs/dbraw/zinc/63/68/32/763636832.db2.gz PZXMPSZRBLLYPZ-OAHLLOKOSA-N 2 0 301.394 0.647 20 30 DCEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001100605469 763677648 /nfs/dbraw/zinc/67/76/48/763677648.db2.gz DIPLAYKSOZWAJB-GPANFISMSA-N 2 0 307.438 0.603 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CC#CC)C2)CC1 ZINC001101024962 763924760 /nfs/dbraw/zinc/92/47/60/763924760.db2.gz OTFDLFSMPLSFTA-UHFFFAOYSA-N 2 0 301.434 0.839 20 30 DCEDRP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001103724624 765112741 /nfs/dbraw/zinc/11/27/41/765112741.db2.gz MSAKQDZHBUQCMA-IXDOHACOSA-N 2 0 321.465 0.662 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124873280 768320662 /nfs/dbraw/zinc/32/06/62/768320662.db2.gz VLLTXDWVQWKNIH-CQSZACIVSA-N 2 0 310.442 0.211 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135390241 765920749 /nfs/dbraw/zinc/92/07/49/765920749.db2.gz IWINVGQAIVGSHU-KBPBESRZSA-N 2 0 324.469 0.503 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090625293 766390882 /nfs/dbraw/zinc/39/08/82/766390882.db2.gz STENJQITZAIPCK-JKSUJKDBSA-N 2 0 307.438 0.293 20 30 DCEDRP C=C(C)CN(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001118950548 766481605 /nfs/dbraw/zinc/48/16/05/766481605.db2.gz BLYBPVMTSNTTII-HUUCEWRRSA-N 2 0 324.469 0.219 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC)C[C@H]2O)CC1 ZINC001090831946 766649460 /nfs/dbraw/zinc/64/94/60/766649460.db2.gz XNEVZTIKSPOTCD-DLBZAZTESA-N 2 0 321.465 0.683 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171161577 766863044 /nfs/dbraw/zinc/86/30/44/766863044.db2.gz ORZKVCKLUYCACX-HUUCEWRRSA-N 2 0 324.469 0.505 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147724223 767831208 /nfs/dbraw/zinc/83/12/08/767831208.db2.gz HZKFUOIUMDUNJV-INIZCTEOSA-N 2 0 319.449 0.511 20 30 DCEDRP C[NH+](C)CCN1CC[N@H+](Cc2cc(C#N)ccc2[O-])CCC1=O ZINC001232678999 769333221 /nfs/dbraw/zinc/33/32/21/769333221.db2.gz XUWTYIPCSVRCGV-UHFFFAOYSA-N 2 0 316.405 0.860 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cccnc2C)CC1 ZINC001152334409 769529657 /nfs/dbraw/zinc/52/96/57/769529657.db2.gz DZKOOMPQXRJTIU-UHFFFAOYSA-N 2 0 314.433 0.941 20 30 DCEDRP N#Cc1ccc(F)c(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001236310794 769993176 /nfs/dbraw/zinc/99/31/76/769993176.db2.gz LIQPSMDCWRBJHQ-UHFFFAOYSA-N 2 0 321.400 0.313 20 30 DCEDRP N#Cc1ccc(F)cc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236312125 769995128 /nfs/dbraw/zinc/99/51/28/769995128.db2.gz OHFXZBMRIDUWLN-UHFFFAOYSA-N 2 0 321.400 0.313 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176565502 770127332 /nfs/dbraw/zinc/12/73/32/770127332.db2.gz VYEXSOHNNBCDDW-HUUCEWRRSA-N 2 0 324.469 0.505 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001178045271 770600235 /nfs/dbraw/zinc/60/02/35/770600235.db2.gz HRYHZKUQOPYMNZ-OAHLLOKOSA-N 2 0 322.453 0.096 20 30 DCEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001155743025 770606203 /nfs/dbraw/zinc/60/62/03/770606203.db2.gz BPRODEYATSZPFC-OAHLLOKOSA-N 2 0 319.453 0.908 20 30 DCEDRP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306394 771756684 /nfs/dbraw/zinc/75/66/84/771756684.db2.gz RVMVASMJWQOGTF-PQEBFOHHSA-N 2 0 310.401 0.682 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158450733 771777869 /nfs/dbraw/zinc/77/78/69/771777869.db2.gz WODFEBRACJWLQX-MRXNPFEDSA-N 2 0 309.454 0.901 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001185084511 771865715 /nfs/dbraw/zinc/86/57/15/771865715.db2.gz KMQKDOZSTXUCFP-JKSUJKDBSA-N 2 0 309.454 0.662 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001185265382 771895236 /nfs/dbraw/zinc/89/52/36/771895236.db2.gz READQNWIZVKTEH-CABCVRRESA-N 2 0 322.453 0.306 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001185722881 771949429 /nfs/dbraw/zinc/94/94/29/771949429.db2.gz DJTOGHBXUVTDPH-CQSZACIVSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001185742856 771951816 /nfs/dbraw/zinc/95/18/16/771951816.db2.gz PCVZIPXTQJXKQC-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001159911025 771975536 /nfs/dbraw/zinc/97/55/36/771975536.db2.gz WHCNOANUJLMTLM-MRXNPFEDSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159932576 771980075 /nfs/dbraw/zinc/98/00/75/771980075.db2.gz SDCURAIPOSVJRR-JSGCOSHPSA-N 2 0 310.442 0.113 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CC12CCOCC2 ZINC001186505044 772048928 /nfs/dbraw/zinc/04/89/28/772048928.db2.gz PETLTKIZJITQKL-CVEARBPZSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H](CC)[NH+](C)C)C1=O ZINC001160883359 772132056 /nfs/dbraw/zinc/13/20/56/772132056.db2.gz LBYDWIDWGCJGFS-ZIAGYGMSSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001187276525 772158920 /nfs/dbraw/zinc/15/89/20/772158920.db2.gz MUULBWOBBVAOPI-HUUCEWRRSA-N 2 0 324.469 0.600 20 30 DCEDRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3ccccc3C#N)C[C@H]21 ZINC001161082846 772163190 /nfs/dbraw/zinc/16/31/90/772163190.db2.gz PLLGRJSHTHARSH-YESZJQIVSA-N 2 0 312.417 0.981 20 30 DCEDRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3ccccc3C#N)C[C@H]21 ZINC001161082843 772163553 /nfs/dbraw/zinc/16/35/53/772163553.db2.gz PLLGRJSHTHARSH-IXDOHACOSA-N 2 0 312.417 0.981 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]C[C@H](C)OC)C2)CC1 ZINC001188091361 772264579 /nfs/dbraw/zinc/26/45/79/772264579.db2.gz LRFDFSPXBVHHAW-GOEBONIOSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161795311 772284209 /nfs/dbraw/zinc/28/42/09/772284209.db2.gz BLPRATJSVGPSFB-AWEZNQCLSA-N 2 0 322.453 0.401 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)C[N@H+]2CC[C@H](C)C2)C1=O ZINC001166677122 772838100 /nfs/dbraw/zinc/83/81/00/772838100.db2.gz FVXYCLKVEVXFLX-GJZGRUSLSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166677721 772839353 /nfs/dbraw/zinc/83/93/53/772839353.db2.gz MATHZMNGVFYDSE-KBPBESRZSA-N 2 0 310.442 0.115 20 30 DCEDRP COCC#CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001204799006 772962786 /nfs/dbraw/zinc/96/27/86/772962786.db2.gz QHSHMWKWQSVWIV-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001206281568 773062353 /nfs/dbraw/zinc/06/23/53/773062353.db2.gz MGPBRQBCPSUGLR-NVXWUHKLSA-N 2 0 321.465 0.662 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCCOC)C2)CC1 ZINC001194246911 773167613 /nfs/dbraw/zinc/16/76/13/773167613.db2.gz SWHFEIOXGILDDK-QGZVFWFLSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001194982237 773299255 /nfs/dbraw/zinc/29/92/55/773299255.db2.gz DQBXIXHUFHETCQ-ZACQAIPSSA-N 2 0 321.465 0.988 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194982880 773299672 /nfs/dbraw/zinc/29/96/72/773299672.db2.gz TZDMQPFZVCMRRC-HZPDHXFCSA-N 2 0 321.465 0.683 20 30 DCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001208065851 773391716 /nfs/dbraw/zinc/39/17/16/773391716.db2.gz GHMYDWHEVXTNKI-OAHLLOKOSA-N 2 0 317.437 0.662 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001208340153 773436713 /nfs/dbraw/zinc/43/67/13/773436713.db2.gz JNBPYAYCQYQYFK-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001208413762 773455385 /nfs/dbraw/zinc/45/53/85/773455385.db2.gz ASIOVJCXZCZUFB-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001196500767 773610958 /nfs/dbraw/zinc/61/09/58/773610958.db2.gz UVUUDNJZMIJEAC-RBSFLKMASA-N 2 0 306.410 0.962 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001209632212 773627232 /nfs/dbraw/zinc/62/72/32/773627232.db2.gz LFAFLOITQGYYJF-CABCVRRESA-N 2 0 322.453 0.354 20 30 DCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210338818 773699256 /nfs/dbraw/zinc/69/92/56/773699256.db2.gz JWQUPUMIAXNWCN-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730812 773879759 /nfs/dbraw/zinc/87/97/59/773879759.db2.gz YOFTZWRDOSFQPI-HUUCEWRRSA-N 2 0 313.442 0.346 20 30 DCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214856252 774019156 /nfs/dbraw/zinc/01/91/56/774019156.db2.gz ZGCVZSCWSDKIAY-BMFZPTHFSA-N 2 0 309.454 0.966 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)C1=O ZINC001215461224 774074693 /nfs/dbraw/zinc/07/46/93/774074693.db2.gz XBQBKTVWEDWSBL-RBSFLKMASA-N 2 0 322.453 0.162 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216463236 774117188 /nfs/dbraw/zinc/11/71/88/774117188.db2.gz AXRGONVAMJJPRU-HUUCEWRRSA-N 2 0 324.469 0.457 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC#CCOC)C1 ZINC001216844399 774142368 /nfs/dbraw/zinc/14/23/68/774142368.db2.gz AXBZTJXVUFAIKD-BRWVUGGUSA-N 2 0 321.465 0.947 20 30 DCEDRP N#Cc1c(NC(=O)[C@@H]2CC[C@@H]([NH3+])CO2)sc2c1CC[NH2+]C2 ZINC001218553025 774245673 /nfs/dbraw/zinc/24/56/73/774245673.db2.gz MVYYCRYAIACNHK-KCJUWKMLSA-N 2 0 306.391 0.710 20 30 DCEDRP Cc1cc(C#N)c(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)s1 ZINC001218555718 774245899 /nfs/dbraw/zinc/24/58/99/774245899.db2.gz SSKWAWJVIBXASA-GFCCVEGCSA-N 2 0 307.423 0.617 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200549225 774366325 /nfs/dbraw/zinc/36/63/25/774366325.db2.gz ZVUXPGGCHHDMKA-BZUAXINKSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CCCO1 ZINC001200806427 774411923 /nfs/dbraw/zinc/41/19/23/774411923.db2.gz PVLZZWRUDYGEKX-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCCO1 ZINC001201720520 774543332 /nfs/dbraw/zinc/54/33/32/774543332.db2.gz RVILCAJXOWRPHA-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001201864019 774560439 /nfs/dbraw/zinc/56/04/39/774560439.db2.gz RXDDUWBOHAOPFN-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001201864022 774560670 /nfs/dbraw/zinc/56/06/70/774560670.db2.gz RXDDUWBOHAOPFN-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CN(CC)CCO2)CCCO1 ZINC001202116133 774603306 /nfs/dbraw/zinc/60/33/06/774603306.db2.gz SNYWZEBEGOTFII-LSDHHAIUSA-N 2 0 311.426 0.100 20 30 DCEDRP C=C(C)C(=O)NCCCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220043145 774678730 /nfs/dbraw/zinc/67/87/30/774678730.db2.gz GXPVFXUHCRPVEB-CYBMUJFWSA-N 2 0 308.426 0.059 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220072385 774688280 /nfs/dbraw/zinc/68/82/80/774688280.db2.gz TZDMQPFZVCMRRC-CVEARBPZSA-N 2 0 321.465 0.683 20 30 DCEDRP C=C[C@@H]1C[C@@]1(NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(=O)OCC ZINC001220570882 774848634 /nfs/dbraw/zinc/84/86/34/774848634.db2.gz CDZPQCYNWSNIQB-XNJGSVPQSA-N 2 0 321.421 0.485 20 30 DCEDRP C#C[C@](C)([NH3+])C(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220611364 774863515 /nfs/dbraw/zinc/86/35/15/774863515.db2.gz WQXTXYCKNQFECH-YPMHNXCESA-N 2 0 310.195 0.916 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCCC)C[C@@H]2O)CC1 ZINC001221066415 774989235 /nfs/dbraw/zinc/98/92/35/774989235.db2.gz VKMDAPJILGYQCY-SJORKVTESA-N 2 0 321.465 0.683 20 30 DCEDRP COCC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001222612750 775396805 /nfs/dbraw/zinc/39/68/05/775396805.db2.gz KFVSBIXBRSWGEE-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001114832519 776202897 /nfs/dbraw/zinc/20/28/97/776202897.db2.gz SNXDGWNVTPIUIG-AIANPOQGSA-N 2 0 305.422 0.024 20 30 DCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001114851230 776254354 /nfs/dbraw/zinc/25/43/54/776254354.db2.gz ADVBENZBIGXVNJ-CBZIJGRNSA-N 2 0 319.449 0.557 20 30 DCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001230149661 776259325 /nfs/dbraw/zinc/25/93/25/776259325.db2.gz PGKDPULOOQOGSE-BZUAXINKSA-N 2 0 307.438 0.605 20 30 DCEDRP C=C(C)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001281816105 945101507 /nfs/dbraw/zinc/10/15/07/945101507.db2.gz CBSRWTXLGSDLBS-HNNXBMFYSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001317637363 945132615 /nfs/dbraw/zinc/13/26/15/945132615.db2.gz XIFWACPZGCFVJQ-MRXNPFEDSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001317780266 945185175 /nfs/dbraw/zinc/18/51/75/945185175.db2.gz UGJUVTVXENFALX-HOTGVXAUSA-N 2 0 307.438 0.559 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001317810982 945193925 /nfs/dbraw/zinc/19/39/25/945193925.db2.gz HPDOXRODSBYTQZ-DLBZAZTESA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CCC[C@@H](C)O)CC1 ZINC001266362861 939096144 /nfs/dbraw/zinc/09/61/44/939096144.db2.gz XWTZFQCNXPHCQE-OAHLLOKOSA-N 2 0 309.454 0.541 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001266626724 939183487 /nfs/dbraw/zinc/18/34/87/939183487.db2.gz UPTAPTJOIKUIFB-SHTZXODSSA-N 2 0 303.410 0.318 20 30 DCEDRP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001279490306 939220606 /nfs/dbraw/zinc/22/06/06/939220606.db2.gz LXXFVYKPFYSYIC-QGZVFWFLSA-N 2 0 307.438 0.437 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001267044534 939322018 /nfs/dbraw/zinc/32/20/18/939322018.db2.gz JLJOEKSOEVNLCS-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001267484869 939474820 /nfs/dbraw/zinc/47/48/20/939474820.db2.gz QDEJEKLBDQFZOB-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001267570653 939511213 /nfs/dbraw/zinc/51/12/13/939511213.db2.gz QYOUBOAPXYWFSN-INIZCTEOSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001481069880 939547251 /nfs/dbraw/zinc/54/72/51/939547251.db2.gz CGENZOIDJPEXQZ-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+]C[C@H]2CCOC2)CC1 ZINC001268630511 940308504 /nfs/dbraw/zinc/30/85/04/940308504.db2.gz LYEAWYLIYSDVND-MJSXRHKHSA-N 2 0 319.449 0.630 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+]C[C@@H]2CCOC2)CC1 ZINC001268630513 940308922 /nfs/dbraw/zinc/30/89/22/940308922.db2.gz LYEAWYLIYSDVND-QGZUEGPWSA-N 2 0 319.449 0.630 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCOCC)C1 ZINC001269250182 940661802 /nfs/dbraw/zinc/66/18/02/940661802.db2.gz AIKHZHZETRECPJ-CVEARBPZSA-N 2 0 307.438 0.653 20 30 DCEDRP COCC#CC[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001271873467 941470722 /nfs/dbraw/zinc/47/07/22/941470722.db2.gz HQKGUXWIMSFZKF-CALCHBBNSA-N 2 0 319.449 0.368 20 30 DCEDRP C#CC[NH2+][C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)C(C)C ZINC001482560484 941505127 /nfs/dbraw/zinc/50/51/27/941505127.db2.gz XRBDWOCHFPRDCO-HNNXBMFYSA-N 2 0 305.426 0.422 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCCO)CC1 ZINC001482697273 941625546 /nfs/dbraw/zinc/62/55/46/941625546.db2.gz LITGIHVUGRZGFK-DLBZAZTESA-N 2 0 321.465 0.589 20 30 DCEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668725 942448151 /nfs/dbraw/zinc/44/81/51/942448151.db2.gz CXEDJMQJLHJAOW-IXDOHACOSA-N 2 0 321.465 0.988 20 30 DCEDRP C#CC[N@@H+](CCOC)C1CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001483819247 942964505 /nfs/dbraw/zinc/96/45/05/942964505.db2.gz HGEYYUDNHASORS-UHFFFAOYSA-N 2 0 318.421 0.915 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](CC)CC)CCOCC1 ZINC001484187051 943182378 /nfs/dbraw/zinc/18/23/78/943182378.db2.gz CKOFFWRPVUDYLO-OAHLLOKOSA-N 2 0 309.454 0.995 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001484842245 943591385 /nfs/dbraw/zinc/59/13/85/943591385.db2.gz WNFJSWMOUIEZJE-SJLPKXTDSA-N 2 0 321.465 0.827 20 30 DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001484857523 943602707 /nfs/dbraw/zinc/60/27/07/943602707.db2.gz YNLHASQYWGTIMV-KRWDZBQOSA-N 2 0 305.422 0.049 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001490953658 943686538 /nfs/dbraw/zinc/68/65/38/943686538.db2.gz BGJNLNGTXOIMGR-LDKKBFSKSA-N 2 0 307.438 0.746 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CC#CCOC)C2CC2)CC[N@@H+]1C ZINC001276588523 944225289 /nfs/dbraw/zinc/22/52/89/944225289.db2.gz IWHZTGBNZMPPEW-GVDBMIGSSA-N 2 0 321.465 0.851 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CCOC)C2)CC1 ZINC001486483654 944918994 /nfs/dbraw/zinc/91/89/94/944918994.db2.gz OAGIMUZDEGKRMT-UHFFFAOYSA-N 2 0 307.438 0.557 20 30 DCEDRP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001277709652 944954806 /nfs/dbraw/zinc/95/48/06/944954806.db2.gz LSQYNWCBQGDVJL-QGZVFWFLSA-N 2 0 321.465 0.947 20 30 DCEDRP N#Cc1ccccc1N1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246532019 945425848 /nfs/dbraw/zinc/42/58/48/945425848.db2.gz VEUNQEGGVLJGHI-MRXNPFEDSA-N 2 0 311.433 0.774 20 30 DCEDRP CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2CCN[C@H](C#N)C2)CCC12C[NH2+]C2 ZINC001247008244 945541015 /nfs/dbraw/zinc/54/10/15/945541015.db2.gz MUNLIWWMIUKYRN-MJBXVCDLSA-N 2 0 306.410 0.105 20 30 DCEDRP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC#CCOC)CCCC1 ZINC001319384810 945574000 /nfs/dbraw/zinc/57/40/00/945574000.db2.gz DMINDQOPRVVNDM-UHFFFAOYSA-N 2 0 309.454 0.997 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001319526793 945611316 /nfs/dbraw/zinc/61/13/16/945611316.db2.gz ZBSBVSZAESKOKT-KGLIPLIRSA-N 2 0 324.469 0.455 20 30 DCEDRP C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)C1CC[NH+](C)CC1 ZINC001319776262 945664481 /nfs/dbraw/zinc/66/44/81/945664481.db2.gz JMCRFIBMZVUYJN-SUQMRRJOSA-N 2 0 306.410 0.833 20 30 DCEDRP COCC#CC[NH2+]CC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001320451265 945885887 /nfs/dbraw/zinc/88/58/87/945885887.db2.gz WFEQWHQEIPKXTG-JKSUJKDBSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)Cn2ccnc2)C1 ZINC001278752517 946213325 /nfs/dbraw/zinc/21/33/25/946213325.db2.gz HIZJTOSQFVNZMH-ZDUSSCGKSA-N 2 0 310.348 0.980 20 30 DCEDRP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001278860218 946492505 /nfs/dbraw/zinc/49/25/05/946492505.db2.gz RECYCJMNUKYXPJ-IAGOWNOFSA-N 2 0 321.465 0.778 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001322003814 946546936 /nfs/dbraw/zinc/54/69/36/946546936.db2.gz CRCOZRABBJRUBB-LSDHHAIUSA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001322512501 946706981 /nfs/dbraw/zinc/70/69/81/946706981.db2.gz WEMQBNUSSSBKGJ-OAHLLOKOSA-N 2 0 322.453 0.069 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001411059454 947285673 /nfs/dbraw/zinc/28/56/73/947285673.db2.gz MFLYZNTXDQFYQP-STQMWFEESA-N 2 0 303.834 0.632 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001324220063 947354675 /nfs/dbraw/zinc/35/46/75/947354675.db2.gz GYFMFMWBNSEFOZ-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP CC#CC[NH+]1CCC2(CO[C@H](CNC(=O)CC[NH+](C)C)C2)CC1 ZINC001324351679 947397446 /nfs/dbraw/zinc/39/74/46/947397446.db2.gz FSVQNOOYAYKBCZ-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CCC)CCOCC1 ZINC001325003296 947605721 /nfs/dbraw/zinc/60/57/21/947605721.db2.gz RPIYSTYRWQEKSN-OAHLLOKOSA-N 2 0 307.438 0.749 20 30 DCEDRP C#CCN1C(=O)C[C@H]([N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)C1=O ZINC001262379723 947665501 /nfs/dbraw/zinc/66/55/01/947665501.db2.gz JYOCAZYRMVKKKR-XQLPTFJDSA-N 2 0 303.406 0.409 20 30 DCEDRP C#CCCC[N@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001273541443 947948590 /nfs/dbraw/zinc/94/85/90/947948590.db2.gz BBHFUVCKWKBLLA-KRWDZBQOSA-N 2 0 305.422 0.803 20 30 DCEDRP C#CCNC(=O)CC[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001325870405 947961836 /nfs/dbraw/zinc/96/18/36/947961836.db2.gz FMXUFXLVIYBMJJ-UHFFFAOYSA-N 2 0 314.433 0.668 20 30 DCEDRP C=C(Cl)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001326021350 948022148 /nfs/dbraw/zinc/02/21/48/948022148.db2.gz HSKJJDZUXJEDHM-CHWSQXEVSA-N 2 0 303.834 0.490 20 30 DCEDRP C=CCC[NH+]1CCC(CO)(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001328541400 948951520 /nfs/dbraw/zinc/95/15/20/948951520.db2.gz FZCINSISRZTJOS-OAHLLOKOSA-N 2 0 309.454 0.847 20 30 DCEDRP C=CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001264633079 949040797 /nfs/dbraw/zinc/04/07/97/949040797.db2.gz VARQYXACFVTPKK-JKSUJKDBSA-N 2 0 309.454 0.942 20 30 DCEDRP CC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001264636450 949048904 /nfs/dbraw/zinc/04/89/04/949048904.db2.gz TXVNAXIGJYKDJG-IRXDYDNUSA-N 2 0 321.465 0.637 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1OCC ZINC001489016913 949436778 /nfs/dbraw/zinc/43/67/78/949436778.db2.gz TVXMDEHZELIYST-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001265357291 949624832 /nfs/dbraw/zinc/62/48/32/949624832.db2.gz XTDPGRWSAQPBIU-BMFZPTHFSA-N 2 0 307.438 0.461 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCC[C@@H](C)O)CC1 ZINC001329621990 949725126 /nfs/dbraw/zinc/72/51/26/949725126.db2.gz ATGKSCHCRCOTAG-HZPDHXFCSA-N 2 0 323.481 0.929 20 30 DCEDRP C=CCOCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265596772 949801223 /nfs/dbraw/zinc/80/12/23/949801223.db2.gz KAAAIFRUMMPIIB-HZPDHXFCSA-N 2 0 309.454 0.969 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001265986867 950233842 /nfs/dbraw/zinc/23/38/42/950233842.db2.gz OFOXFSXXPZJPGE-CVEARBPZSA-N 2 0 309.454 0.661 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC#CCOC ZINC001266148880 950417902 /nfs/dbraw/zinc/41/79/02/950417902.db2.gz JWNNLKTVVSUDPG-HZPDHXFCSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266154787 950426627 /nfs/dbraw/zinc/42/66/27/950426627.db2.gz FZPPPXWJARXAQA-KBPBESRZSA-N 2 0 310.442 0.257 20 30 DCEDRP C#CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2 ZINC001330543656 950497318 /nfs/dbraw/zinc/49/73/18/950497318.db2.gz RZBZBXOBRRNEFG-HZPDHXFCSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001279578551 950637093 /nfs/dbraw/zinc/63/70/93/950637093.db2.gz YYSXAPRVUITJTE-IXDOHACOSA-N 2 0 319.449 0.796 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001279578549 950637179 /nfs/dbraw/zinc/63/71/79/950637179.db2.gz YYSXAPRVUITJTE-BRWVUGGUSA-N 2 0 319.449 0.796 20 30 DCEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001280584866 950968473 /nfs/dbraw/zinc/96/84/73/950968473.db2.gz USURTEFBQUOQTP-HOTGVXAUSA-N 2 0 307.438 0.721 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001280745278 951059822 /nfs/dbraw/zinc/05/98/22/951059822.db2.gz RVNNOWJOMHYSAI-LSDHHAIUSA-N 2 0 322.453 0.354 20 30 DCEDRP C=C(C)CC[NH2+][C@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001331741493 951285996 /nfs/dbraw/zinc/28/59/96/951285996.db2.gz UYWVDPVWBBWARR-HNNXBMFYSA-N 2 0 309.454 0.895 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCCO)[C@@H](C)C2)CC1 ZINC001274296531 951543680 /nfs/dbraw/zinc/54/36/80/951543680.db2.gz DPVQASPTBNYSOY-HOCLYGCPSA-N 2 0 307.438 0.151 20 30 DCEDRP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001332649153 951744133 /nfs/dbraw/zinc/74/41/33/951744133.db2.gz YYTFGXQQZWEBAR-OAHLLOKOSA-N 2 0 309.454 0.942 20 30 DCEDRP COCC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001332941515 951858760 /nfs/dbraw/zinc/85/87/60/951858760.db2.gz XAGIYCLEVPPBBD-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001275135207 951969149 /nfs/dbraw/zinc/96/91/49/951969149.db2.gz GVSCQHFRBGNUBK-KRWDZBQOSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001280793463 953040452 /nfs/dbraw/zinc/04/04/52/953040452.db2.gz KUZRCPRFIVLJIH-HUUCEWRRSA-N 2 0 324.469 0.552 20 30 DCEDRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)C#CC3CC[NH2+]CC3)C2)C1 ZINC001347157769 954035400 /nfs/dbraw/zinc/03/54/00/954035400.db2.gz SIXHZWZBWUTGIE-GVDBMIGSSA-N 2 0 319.449 0.734 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001283555400 954446398 /nfs/dbraw/zinc/44/63/98/954446398.db2.gz HULIPIJXPLOYIP-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001283617889 954486630 /nfs/dbraw/zinc/48/66/30/954486630.db2.gz MYFUBPUSVBWGAF-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCC[NH2+]C1CC(N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001284764253 955255945 /nfs/dbraw/zinc/25/59/45/955255945.db2.gz CSRZRRUDYREDFU-UHFFFAOYSA-N 2 0 317.437 0.661 20 30 DCEDRP C#CC[NH2+]CC(=O)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001357415109 957278877 /nfs/dbraw/zinc/27/88/77/957278877.db2.gz WANHSSWVSDLNMI-NVXWUHKLSA-N 2 0 315.417 0.615 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC#CCOC)C1 ZINC001491808178 959319118 /nfs/dbraw/zinc/31/91/18/959319118.db2.gz HWXLDSYOAQUPBP-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP CC(C)[C@@H](CNC(=O)NCC#CC[NH+](C)C)[NH+]1CCN(C)CC1 ZINC001311535850 960253599 /nfs/dbraw/zinc/25/35/99/960253599.db2.gz KOVAMVPTMQCIOA-MRXNPFEDSA-N 2 0 323.485 0.123 20 30 DCEDRP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001316750452 960310273 /nfs/dbraw/zinc/31/02/73/960310273.db2.gz RXEYDNQTJHTCGO-CVEARBPZSA-N 2 0 307.438 0.389 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001379847584 962132737 /nfs/dbraw/zinc/13/27/37/962132737.db2.gz ZIWQGSZAPZGSEX-CQSZACIVSA-N 2 0 317.861 0.880 20 30 DCEDRP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001369159896 964467810 /nfs/dbraw/zinc/46/78/10/964467810.db2.gz YDRYMWODFMCJKC-OLZOCXBDSA-N 2 0 303.834 0.896 20 30 DCEDRP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC001394649894 993965840 /nfs/dbraw/zinc/96/58/40/993965840.db2.gz WNMLMEWMNLIKFP-MRXNPFEDSA-N 2 0 318.421 0.465 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001502571079 1015976382 /nfs/dbraw/zinc/97/63/82/1015976382.db2.gz XWHCNUYOPOIHDH-DOTOQJQBSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001502795577 1016073963 /nfs/dbraw/zinc/07/39/63/1016073963.db2.gz RBNHIIKSEOVCBG-UHFFFAOYSA-N 2 0 310.442 0.211 20 30 DCEDRP C=CCCC[NH+]1CCC(CO)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001505391178 1016207654 /nfs/dbraw/zinc/20/76/54/1016207654.db2.gz QOUFIEYWLJWUQH-UHFFFAOYSA-N 2 0 321.465 0.992 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001420131632 1001921104 /nfs/dbraw/zinc/92/11/04/1001921104.db2.gz CNKZVFNDQXUYCX-CHWSQXEVSA-N 2 0 303.834 0.680 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001420131652 1001922373 /nfs/dbraw/zinc/92/23/73/1001922373.db2.gz CNKZVFNDQXUYCX-STQMWFEESA-N 2 0 303.834 0.680 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001422342642 1009915038 /nfs/dbraw/zinc/91/50/38/1009915038.db2.gz OJZIINDBQUVQID-UONOGXRCSA-N 2 0 317.861 0.928 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001422393858 1010009424 /nfs/dbraw/zinc/00/94/24/1010009424.db2.gz MWLZQEUSJMOAKN-AWEZNQCLSA-N 2 0 317.861 0.926 20 30 DCEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC001445144603 1011453198 /nfs/dbraw/zinc/45/31/98/1011453198.db2.gz AWJNSSYIIFTWII-CVEARBPZSA-N 2 0 316.405 0.219 20 30 DCEDRP C#CCC[N@H+]1C[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001506752172 1017505535 /nfs/dbraw/zinc/50/55/35/1017505535.db2.gz HUTUQBROEOOGAN-CVEARBPZSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1OCC ZINC001479540673 1017580974 /nfs/dbraw/zinc/58/09/74/1017580974.db2.gz RTUWWDIBIPDFIP-HUUCEWRRSA-N 2 0 307.438 0.415 20 30 DCEDRP C=CC[NH2+]C[C@@H](O)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001497017567 1017739171 /nfs/dbraw/zinc/73/91/71/1017739171.db2.gz LLQKPGYKHLOXQK-CYBMUJFWSA-N 2 0 301.350 0.134 20 30 DCEDRP C=CCN1CC[C@@H]([N@H+](C)CCCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001479812986 1017818068 /nfs/dbraw/zinc/81/80/68/1017818068.db2.gz VPRAYZQBJWPJRE-LSDHHAIUSA-N 2 0 322.453 0.163 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCOCC)C2)CC1 ZINC001500292284 1018390383 /nfs/dbraw/zinc/39/03/83/1018390383.db2.gz HPHRPAVFYOSGRF-GOSISDBHSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001495297966 1018451238 /nfs/dbraw/zinc/45/12/38/1018451238.db2.gz HJSXPISMNLUHKM-PBHICJAKSA-N 2 0 307.438 0.462 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001500594499 1018505060 /nfs/dbraw/zinc/50/50/60/1018505060.db2.gz RKGZSCQUCBQJDZ-OAHLLOKOSA-N 2 0 307.438 0.607 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001495479368 1018528693 /nfs/dbraw/zinc/52/86/93/1018528693.db2.gz IOAIGBUTWHHOCK-SHTZXODSSA-N 2 0 322.453 0.401 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2cnoc2C)CC1 ZINC001497989923 1018566593 /nfs/dbraw/zinc/56/65/93/1018566593.db2.gz HDQOLNNIQZFTLI-CYBMUJFWSA-N 2 0 318.421 0.923 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001495578488 1018583270 /nfs/dbraw/zinc/58/32/70/1018583270.db2.gz UIVIUVFTMGNXQL-HUUCEWRRSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001480648961 1018742893 /nfs/dbraw/zinc/74/28/93/1018742893.db2.gz RFZSLOHSHAXMKD-HOCLYGCPSA-N 2 0 324.469 0.313 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001480701366 1018788471 /nfs/dbraw/zinc/78/84/71/1018788471.db2.gz KRXJLOWDOHEUJP-IAGOWNOFSA-N 2 0 321.465 0.995 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CN(C)CC#CCOC ZINC001498456924 1019135569 /nfs/dbraw/zinc/13/55/69/1019135569.db2.gz QOPMGJDFVBEBNT-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)C[C@H](C)OC)CC1 ZINC001498457929 1019139679 /nfs/dbraw/zinc/13/96/79/1019139679.db2.gz VFMVVSGZUZORCE-GJZGRUSLSA-N 2 0 309.454 0.803 20 30 DCEDRP CN(C(=[NH2+])NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000181463384 237262725 /nfs/dbraw/zinc/26/27/25/237262725.db2.gz LIOKRVUIWNKGNX-INIZCTEOSA-N 2 0 302.422 0.815 20 30 DCEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000262547827 532965176 /nfs/dbraw/zinc/96/51/76/532965176.db2.gz WCUORDUVLWSWEB-LBPRGKRZSA-N 2 0 321.425 0.676 20 30 DCEDRP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000491619394 533104216 /nfs/dbraw/zinc/10/42/16/533104216.db2.gz AYCZEJQZKFETBV-HNNXBMFYSA-N 2 0 310.442 0.352 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000491252349 533104507 /nfs/dbraw/zinc/10/45/07/533104507.db2.gz HNVAWSYPMLOPJC-HNNXBMFYSA-N 2 0 312.483 0.678 20 30 DCEDRP C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)C1=CC[NH+](C)CC1 ZINC000329280730 396841691 /nfs/dbraw/zinc/84/16/91/396841691.db2.gz DRIMCZXOBJXKMS-ZFWWWQNUSA-N 2 0 309.458 0.386 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621845657 397426585 /nfs/dbraw/zinc/42/65/85/397426585.db2.gz NERQEFMGXOXQKL-SUMWQHHRSA-N 2 0 320.437 0.093 20 30 DCEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594441061 397551117 /nfs/dbraw/zinc/55/11/17/397551117.db2.gz LWCXIOUIEAPXJW-LSDHHAIUSA-N 2 0 310.442 0.871 20 30 DCEDRP N#CC1(C[C@H](O)C[NH2+]CC(=O)NCC[NH+]2CCCCC2)CC1 ZINC001647563344 1172973745 /nfs/dbraw/zinc/97/37/45/1172973745.db2.gz DBQULJNAWQSADJ-AWEZNQCLSA-N 2 0 308.426 0.233 20 30 DCEDRP C[C@H]1C[NH+](CCCNC(=[NH2+])N2CCSCC2)C[C@H](C)O1 ZINC000303786552 685206621 /nfs/dbraw/zinc/20/66/21/685206621.db2.gz RNTFJVXAOYCNRT-STQMWFEESA-N 2 0 300.472 0.849 20 30 DCEDRP C[NH+](C)CCCOc1cnccc1CNC(=[NH2+])N1CCOCC1 ZINC000288653806 415684527 /nfs/dbraw/zinc/68/45/27/415684527.db2.gz FPDORVCAGSKAHO-UHFFFAOYSA-N 2 0 321.425 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000119987536 415756637 /nfs/dbraw/zinc/75/66/37/415756637.db2.gz XJGJNIBNKDXAGD-UHFFFAOYSA-N 2 0 303.410 0.728 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000419728282 416406807 /nfs/dbraw/zinc/40/68/07/416406807.db2.gz MPHNGHBXIHGLSV-ZIAGYGMSSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000491266131 416591893 /nfs/dbraw/zinc/59/18/93/416591893.db2.gz NUZPIMITMTVWFQ-INIZCTEOSA-N 2 0 324.469 0.334 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@@H+]2CCSC[C@@H]2C2CCC2)CC1 ZINC000491505241 416603957 /nfs/dbraw/zinc/60/39/57/416603957.db2.gz KTOAUFFBICPUGH-MRXNPFEDSA-N 2 0 321.490 0.981 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000490894063 416580159 /nfs/dbraw/zinc/58/01/59/416580159.db2.gz ZIBDTKQFSJEBQR-UHFFFAOYSA-N 2 0 321.465 0.637 20 30 DCEDRP CC#CC[C@@H](CO)NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645294735 417727167 /nfs/dbraw/zinc/72/71/67/417727167.db2.gz JSAUKCTXICZNQD-GJZGRUSLSA-N 2 0 322.453 0.228 20 30 DCEDRP C=CC[C@]1(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCC[NH2+]1 ZINC000662705825 417862395 /nfs/dbraw/zinc/86/23/95/417862395.db2.gz RGGOZRRKYYGTIG-RHSMWYFYSA-N 2 0 322.453 0.388 20 30 DCEDRP C=CC[C@]1(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCC[NH2+]1 ZINC000662737464 417880410 /nfs/dbraw/zinc/88/04/10/417880410.db2.gz ZOVXPSZDLHLHEU-MAUKXSAKSA-N 2 0 320.481 0.969 20 30 DCEDRP C=CC[C@]1(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CCC[NH2+]1 ZINC000662783227 417902390 /nfs/dbraw/zinc/90/23/90/417902390.db2.gz CSDVWDGDFRTDBY-WMLDXEAASA-N 2 0 307.438 0.899 20 30 DCEDRP C=CC[C@]1(C(=O)N(C)CCCN2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662792170 417905524 /nfs/dbraw/zinc/90/55/24/417905524.db2.gz ZRSIHIOTYQCKNV-QGZVFWFLSA-N 2 0 308.470 0.781 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001569950531 1159208750 /nfs/dbraw/zinc/20/87/50/1159208750.db2.gz KMGDYDJXYNRHNR-INIZCTEOSA-N 2 0 309.454 0.685 20 30 DCEDRP C[NH+](C)CCCN(CCC#N)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000566436037 341558183 /nfs/dbraw/zinc/55/81/83/341558183.db2.gz XIBYYKKCVHENTK-UHFFFAOYSA-N 2 0 320.441 0.752 20 30 DCEDRP C[NH+]=C(NCC(=O)N1CCCCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261747856 526345809 /nfs/dbraw/zinc/34/58/09/526345809.db2.gz LNAIIWKZYJODKR-UKRRQHHQSA-N 2 0 321.469 0.647 20 30 DCEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261843721 526371218 /nfs/dbraw/zinc/37/12/18/526371218.db2.gz WWVIKNNAUJGKRU-ZFWWWQNUSA-N 2 0 320.441 0.321 20 30 DCEDRP CC[NH+]=C(NC[C@@H]1CCCS1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000261977921 528809451 /nfs/dbraw/zinc/80/94/51/528809451.db2.gz ODXLIAQQXFRQEP-KGLIPLIRSA-N 2 0 311.499 0.437 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC001671934879 1175045356 /nfs/dbraw/zinc/04/53/56/1175045356.db2.gz MGSZHEFTGLIEJI-HNNXBMFYSA-N 2 0 307.438 0.749 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCOC)C[C@H]32)CC1 ZINC000979086053 660659314 /nfs/dbraw/zinc/65/93/14/660659314.db2.gz HFPUVKPGOAASKS-OSYLJGHBSA-N 2 0 319.449 0.272 20 30 DCEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(NCC(=O)N(C)C)=[NH+]C1CC1 ZINC000262348616 657629342 /nfs/dbraw/zinc/62/93/42/657629342.db2.gz YJDNGJBBQKSEMY-RISCZKNCSA-N 2 0 307.442 0.255 20 30 DCEDRP C#CC[NH2+]C1CC(N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000998785300 665527562 /nfs/dbraw/zinc/52/75/62/665527562.db2.gz MAGQEQAKOLOHIQ-UHFFFAOYSA-N 2 0 303.410 0.271 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC000969594987 658012889 /nfs/dbraw/zinc/01/28/89/658012889.db2.gz FGVKZOBQKFJXMY-QLFBSQMISA-N 2 0 320.437 0.058 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001023757868 658210557 /nfs/dbraw/zinc/21/05/57/658210557.db2.gz PIACNYPSAITNQD-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001024506553 658671856 /nfs/dbraw/zinc/67/18/56/658671856.db2.gz MZFAOQCFNFBUDQ-OWCLPIDISA-N 2 0 307.438 0.700 20 30 DCEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000970170218 658687861 /nfs/dbraw/zinc/68/78/61/658687861.db2.gz QJAJVTIODZKTIE-KDWRMLKXSA-N 2 0 319.449 0.862 20 30 DCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000999351168 665634035 /nfs/dbraw/zinc/63/40/35/665634035.db2.gz DDERXRXLRFKJRI-NVXWUHKLSA-N 2 0 319.449 0.844 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[NH+]2CCC(O)CC2)CC1 ZINC000892851788 659485115 /nfs/dbraw/zinc/48/51/15/659485115.db2.gz RATHQFHWGZOFAH-UHFFFAOYSA-N 2 0 324.469 0.783 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000909367606 659505455 /nfs/dbraw/zinc/50/54/55/659505455.db2.gz NCXDLXPPINXKHQ-HNNXBMFYSA-N 2 0 322.453 0.307 20 30 DCEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001027498517 659627400 /nfs/dbraw/zinc/62/74/00/659627400.db2.gz HMHMFKAGGZHLFN-GARNVTTQSA-N 2 0 317.433 0.406 20 30 DCEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001027498915 659628990 /nfs/dbraw/zinc/62/89/90/659628990.db2.gz QIMYGYNQSWIXFF-LPMVOBIJSA-N 2 0 319.449 0.958 20 30 DCEDRP CNC(=O)C(C)(C)CNC(N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)=[NH+]C ZINC000261691952 661423357 /nfs/dbraw/zinc/42/33/57/661423357.db2.gz FGRNAHKYCAUBCE-WCQYABFASA-N 2 0 309.458 0.406 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000988853899 662868033 /nfs/dbraw/zinc/86/80/33/662868033.db2.gz HTILOIHPJLBBOZ-KGLIPLIRSA-N 2 0 303.410 0.271 20 30 DCEDRP C#CCC[NH+]1CC(CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001031677690 665285099 /nfs/dbraw/zinc/28/50/99/665285099.db2.gz VBOWNGKOZMTSPX-UHFFFAOYSA-N 2 0 303.410 0.130 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001001409314 666048304 /nfs/dbraw/zinc/04/83/04/666048304.db2.gz XEDKDCGDKWAIFU-UHFFFAOYSA-N 2 0 317.437 0.520 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001032837209 666288919 /nfs/dbraw/zinc/28/89/19/666288919.db2.gz KDOQPRQQWLFMPK-IKGGRYGDSA-N 2 0 319.449 0.844 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CCCO)CC2)CC1 ZINC001004202254 666475817 /nfs/dbraw/zinc/47/58/17/666475817.db2.gz XPRAZNNEYATANI-UHFFFAOYSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CCN1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCCN3C)[nH]n2)C1 ZINC001033096557 666503121 /nfs/dbraw/zinc/50/31/21/666503121.db2.gz MXUOQTZGHWCQEC-BBRMVZONSA-N 2 0 315.421 0.956 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC001033682131 666793487 /nfs/dbraw/zinc/79/34/87/666793487.db2.gz ACDJLHJIXRAXGK-MRXNPFEDSA-N 2 0 307.438 0.511 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033907978 666865626 /nfs/dbraw/zinc/86/56/26/666865626.db2.gz WJKCBZSJIWTJCE-NDUQDZPOSA-N 2 0 319.449 0.958 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001036079688 667425542 /nfs/dbraw/zinc/42/55/42/667425542.db2.gz WDVQTCFJHHSKOS-CVEARBPZSA-N 2 0 321.465 0.805 20 30 DCEDRP COCCN(CC[NH+](C)C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884309903 667520958 /nfs/dbraw/zinc/52/09/58/667520958.db2.gz IWJNIWXOFNCNBJ-NPCAHTBFSA-N 2 0 308.426 0.162 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CC[NH2+]C13CCCC3)C2 ZINC000884376736 667534081 /nfs/dbraw/zinc/53/40/81/667534081.db2.gz PLEWCFBHJLUZTF-MYMJJRTCSA-N 2 0 302.422 0.917 20 30 DCEDRP C#Cc1cncc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870018461 667698405 /nfs/dbraw/zinc/69/84/05/667698405.db2.gz AMTQMSFZGMFXQC-IAGOWNOFSA-N 2 0 314.433 0.874 20 30 DCEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870941159 667776276 /nfs/dbraw/zinc/77/62/76/667776276.db2.gz RLKFLYXIHZBNDQ-WDEREUQCSA-N 2 0 305.407 0.451 20 30 DCEDRP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)[C@@H]2CCC[C@H]21 ZINC000796816090 669943073 /nfs/dbraw/zinc/94/30/73/669943073.db2.gz JMZRJEQWSDAGSY-VOYJBQKSSA-N 2 0 318.421 0.975 20 30 DCEDRP C[C@H]1C[NH+](CCCCNC(=O)C#CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000852861407 671177290 /nfs/dbraw/zinc/17/72/90/671177290.db2.gz UTJKKGHRHNFPBK-HOTGVXAUSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000843269471 672077782 /nfs/dbraw/zinc/07/77/82/672077782.db2.gz NOHZTBBTHHCEAK-GJZGRUSLSA-N 2 0 305.422 0.801 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000303876868 685207122 /nfs/dbraw/zinc/20/71/22/685207122.db2.gz FBWSKWUXIIBXBE-CVEARBPZSA-N 3 0 324.517 0.401 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958215592 687447243 /nfs/dbraw/zinc/44/72/43/687447243.db2.gz XFOMJZVHJUKHFF-HOTGVXAUSA-N 2 0 321.465 0.990 20 30 DCEDRP C=CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc3nccn32)C1 ZINC000958257992 687486106 /nfs/dbraw/zinc/48/61/06/687486106.db2.gz MFNYJFWYMDFDCC-JSGCOSHPSA-N 2 0 300.362 0.543 20 30 DCEDRP C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC000958263101 687491882 /nfs/dbraw/zinc/49/18/82/687491882.db2.gz NQBPRDDICJGYBR-GDBMZVCRSA-N 2 0 314.389 0.933 20 30 DCEDRP C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](O)C1 ZINC000958345747 687567021 /nfs/dbraw/zinc/56/70/21/687567021.db2.gz RHIJWFKEVUTRGP-HUUCEWRRSA-N 2 0 321.421 0.940 20 30 DCEDRP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000958374031 687596738 /nfs/dbraw/zinc/59/67/38/687596738.db2.gz LGZKCWMCRJEREZ-HZPDHXFCSA-N 2 0 309.454 0.703 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374029 687596872 /nfs/dbraw/zinc/59/68/72/687596872.db2.gz LGZKCWMCRJEREZ-HOTGVXAUSA-N 2 0 309.454 0.703 20 30 DCEDRP CC#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958556563 687744817 /nfs/dbraw/zinc/74/48/17/687744817.db2.gz TXUCZETYZSBJRO-DLBZAZTESA-N 2 0 321.465 0.539 20 30 DCEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000959950122 688267745 /nfs/dbraw/zinc/26/77/45/688267745.db2.gz FOHSPKBLVAHODU-FOLVSLTJSA-N 2 0 317.437 0.681 20 30 DCEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961284258 688587370 /nfs/dbraw/zinc/58/73/70/688587370.db2.gz RULDUEZWCPVUSO-ZBKZBXIDSA-N 2 0 317.433 0.472 20 30 DCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CN(CC)CCO3)C2)C1 ZINC000965925792 689584398 /nfs/dbraw/zinc/58/43/98/689584398.db2.gz QPDYCFPEKLVVJD-LETWWHAPSA-N 2 0 305.422 0.357 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCO ZINC000968894041 690416198 /nfs/dbraw/zinc/41/61/98/690416198.db2.gz YQLADLVUHPHAKV-HOTGVXAUSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001001425316 690544734 /nfs/dbraw/zinc/54/47/34/690544734.db2.gz NQDVGDCZAMZTQG-HOTGVXAUSA-N 2 0 305.422 0.311 20 30 DCEDRP C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001017747467 692974151 /nfs/dbraw/zinc/97/41/51/692974151.db2.gz DSNLXDHIGCXLMJ-SYGRHNPNSA-N 2 0 315.417 0.158 20 30 DCEDRP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001073433986 694726477 /nfs/dbraw/zinc/72/64/77/694726477.db2.gz YVFJNZZCUAAKGX-HNNXBMFYSA-N 2 0 305.422 0.122 20 30 DCEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001020165271 693718679 /nfs/dbraw/zinc/71/86/79/693718679.db2.gz QSPBBNOQTGXPDO-HDJSIYSDSA-N 2 0 305.426 0.871 20 30 DCEDRP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760645 694661269 /nfs/dbraw/zinc/66/12/69/694661269.db2.gz JHDMEPUDKOZFIB-CVEARBPZSA-N 2 0 319.449 0.960 20 30 DCEDRP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760846 694661286 /nfs/dbraw/zinc/66/12/86/694661286.db2.gz QQJLZDULSNNPCZ-HUUCEWRRSA-N 2 0 305.422 0.570 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001073661690 694761550 /nfs/dbraw/zinc/76/15/50/694761550.db2.gz BSSQWVFYEJZVKO-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407490 695020238 /nfs/dbraw/zinc/02/02/38/695020238.db2.gz HEZDJWRKTWFFKF-GOEBONIOSA-N 2 0 307.438 0.816 20 30 DCEDRP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC#C)CC3)[C@@H]2C1 ZINC001076604690 695032244 /nfs/dbraw/zinc/03/22/44/695032244.db2.gz RKZIFXPFCXFKRE-ZWKOTPCHSA-N 2 0 313.445 0.888 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](C)O)C[C@H]32)CC1 ZINC001076604433 695032251 /nfs/dbraw/zinc/03/22/51/695032251.db2.gz FHXZZHWXNLXORH-HYVNUMGLSA-N 2 0 319.449 0.245 20 30 DCEDRP CC#CC[NH2+][C@@H](C)CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001571388541 1162728456 /nfs/dbraw/zinc/72/84/56/1162728456.db2.gz RYGRWQWMKGULQJ-AWEZNQCLSA-N 2 0 305.426 0.518 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001571582397 1162825996 /nfs/dbraw/zinc/82/59/96/1162825996.db2.gz FSFFLNZNCGESNI-OAHLLOKOSA-N 2 0 307.438 0.295 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001691146246 1157595955 /nfs/dbraw/zinc/59/59/55/1157595955.db2.gz QJYYVCWOIAFNJP-ZBFHGGJFSA-N 2 0 324.469 0.313 20 30 DCEDRP CCC[N@@H+](CC#CCOC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001691196242 1157610927 /nfs/dbraw/zinc/61/09/27/1157610927.db2.gz IJPRMHRQSIRNQL-MRXNPFEDSA-N 2 0 309.454 0.806 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001698861807 1157694122 /nfs/dbraw/zinc/69/41/22/1157694122.db2.gz SANOZHPJTAOQMX-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001566466283 1159994367 /nfs/dbraw/zinc/99/43/67/1159994367.db2.gz VFHVJINZBMTGRT-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001566692960 1160131723 /nfs/dbraw/zinc/13/17/23/1160131723.db2.gz NJILJAYJESTFFA-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001567399700 1160347489 /nfs/dbraw/zinc/34/74/89/1160347489.db2.gz CILLKBCCLMRYBF-SJORKVTESA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001567737526 1160469465 /nfs/dbraw/zinc/46/94/65/1160469465.db2.gz CTBZDTBLMDLYQR-CABCVRRESA-N 2 0 324.469 0.409 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001568278008 1160619011 /nfs/dbraw/zinc/61/90/11/1160619011.db2.gz LJTFOSYIHILUDT-KBPBESRZSA-N 2 0 322.453 0.045 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001568646154 1160721203 /nfs/dbraw/zinc/72/12/03/1160721203.db2.gz NNZIAWNTEINGEO-UONOGXRCSA-N 2 0 310.442 0.257 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1=O ZINC001569015797 1160918302 /nfs/dbraw/zinc/91/83/02/1160918302.db2.gz AFQIMISFNFTLGC-HIFRSBDPSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001569567563 1161150707 /nfs/dbraw/zinc/15/07/07/1161150707.db2.gz YVFSMZUJJHVSDA-GJZGRUSLSA-N 2 0 322.453 0.045 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCOCC1 ZINC001569730130 1161209654 /nfs/dbraw/zinc/20/96/54/1161209654.db2.gz DHJXCUMQJGYCSF-HOTGVXAUSA-N 2 0 319.449 0.892 20 30 DCEDRP C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001569879304 1161293037 /nfs/dbraw/zinc/29/30/37/1161293037.db2.gz VONOQFFPFTUFNM-IYBDPMFKSA-N 2 0 309.454 0.921 20 30 DCEDRP C=CCC[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001569937379 1161332790 /nfs/dbraw/zinc/33/27/90/1161332790.db2.gz UUIBNHNRAJAGCW-JKSUJKDBSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H](C[NH2+]CC(=C)C)C2)CC1 ZINC001570163366 1161460434 /nfs/dbraw/zinc/46/04/34/1161460434.db2.gz HYFOKDMAXPTPJM-KRWDZBQOSA-N 2 0 319.449 0.725 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCOCC1 ZINC001570304724 1161556523 /nfs/dbraw/zinc/55/65/23/1161556523.db2.gz POAYRYPRZLQLSG-GJZGRUSLSA-N 2 0 307.438 0.605 20 30 DCEDRP C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C1=CC[N@H+](C)CC1 ZINC001576186692 1164262222 /nfs/dbraw/zinc/26/22/22/1164262222.db2.gz QJPOLCCABLIDQA-BUTPEJBISA-N 2 0 302.422 0.892 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001580044004 1165484537 /nfs/dbraw/zinc/48/45/37/1165484537.db2.gz VEKFEZUBJVZVET-QLFBSQMISA-N 2 0 305.426 0.662 20 30 DCEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC001591012582 1167079273 /nfs/dbraw/zinc/07/92/73/1167079273.db2.gz WZTOILZBZNNXTM-AWEZNQCLSA-N 2 0 300.366 0.055 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC001616191998 1171376112 /nfs/dbraw/zinc/37/61/12/1171376112.db2.gz SEMSMXFRLAKZSW-UHFFFAOYSA-N 2 0 311.426 0.496 20 30 DCEDRP C#CCC[NH2+][C@H](CNC(=O)C1CC[NH+](CC#C)CC1)C1CC1 ZINC001661192653 1174105983 /nfs/dbraw/zinc/10/59/83/1174105983.db2.gz HPESQUUBLICTAB-QGZVFWFLSA-N 2 0 301.434 0.839 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001664264531 1174414579 /nfs/dbraw/zinc/41/45/79/1174414579.db2.gz SQVNRSBUFJUAFT-UHFFFAOYSA-N 2 0 310.442 0.069 20 30 DCEDRP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001666287391 1174597006 /nfs/dbraw/zinc/59/70/06/1174597006.db2.gz VOKOAPRWEJBTPC-QBPKDAKJSA-N 2 0 321.465 0.993 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001666563162 1174610812 /nfs/dbraw/zinc/61/08/12/1174610812.db2.gz IUZGYRMWAJBOHF-HOTGVXAUSA-N 2 0 309.454 0.853 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001666943016 1174648658 /nfs/dbraw/zinc/64/86/58/1174648658.db2.gz GBPPGKDPPOWFKU-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCC[NH+]1CC[C@](O)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001672002876 1175059041 /nfs/dbraw/zinc/05/90/41/1175059041.db2.gz AHZZJCAQDVVOQC-WBVHZDCISA-N 2 0 307.438 0.437 20 30 DCEDRP COCC#CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001672434144 1175107589 /nfs/dbraw/zinc/10/75/89/1175107589.db2.gz UYLWCPUYADKXOG-YESZJQIVSA-N 2 0 319.449 0.368 20 30 DCEDRP C=CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001672442754 1175108481 /nfs/dbraw/zinc/10/84/81/1175108481.db2.gz MHDVIPMWFWMIRX-QLFBSQMISA-N 2 0 322.453 0.019 20 30 DCEDRP C#CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001672690258 1175144209 /nfs/dbraw/zinc/14/42/09/1175144209.db2.gz JLGXVZRAVRBSRI-CVEARBPZSA-N 2 0 307.438 0.437 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001673898868 1175240158 /nfs/dbraw/zinc/24/01/58/1175240158.db2.gz XWOAMUUOPKHDET-GJZGRUSLSA-N 2 0 307.438 0.415 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001676414235 1175444823 /nfs/dbraw/zinc/44/48/23/1175444823.db2.gz XPGIANSBOXFAGD-KBPBESRZSA-N 2 0 324.469 0.455 20 30 DCEDRP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001676584412 1175464769 /nfs/dbraw/zinc/46/47/69/1175464769.db2.gz WOWWXGMTOJNNFS-XJKSGUPXSA-N 2 0 315.433 0.842 20 30 DCEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001677115912 1175529535 /nfs/dbraw/zinc/52/95/35/1175529535.db2.gz ATXVMVMXWAYLED-CZUORRHYSA-N 2 0 315.433 0.794 20 30 DCEDRP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001677173692 1175542502 /nfs/dbraw/zinc/54/25/02/1175542502.db2.gz AVDKQICQQOZMGA-MRXNPFEDSA-N 2 0 309.454 0.493 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001688950410 1176663260 /nfs/dbraw/zinc/66/32/60/1176663260.db2.gz ICGVVKLGLABSKL-AJNGGQMLSA-N 2 0 322.453 0.113 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001690362284 1177222965 /nfs/dbraw/zinc/22/29/65/1177222965.db2.gz XJTAEKVLFWCBGM-WCXIOVBPSA-N 2 0 321.465 0.993 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001690677716 1177302281 /nfs/dbraw/zinc/30/22/81/1177302281.db2.gz SJBRPGLGPJOYPP-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP CC#CC[NH2+][C@@H](CC)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001698603991 1177579316 /nfs/dbraw/zinc/57/93/16/1177579316.db2.gz GFVFHQNWJSCCBM-HNNXBMFYSA-N 2 0 309.454 0.853 20 30 DCEDRP COCC#CC[NH2+]C[C@](C)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001698653068 1177600645 /nfs/dbraw/zinc/60/06/45/1177600645.db2.gz NPHCTUULOOWBMA-KRWDZBQOSA-N 2 0 319.449 0.607 20 30 DCEDRP COCC#CC[NH2+]C[C@@](C)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001698653070 1177601120 /nfs/dbraw/zinc/60/11/20/1177601120.db2.gz NPHCTUULOOWBMA-QGZVFWFLSA-N 2 0 319.449 0.607 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001698947523 1177732850 /nfs/dbraw/zinc/73/28/50/1177732850.db2.gz ASNLLZKEMGLHQD-HOTGVXAUSA-N 2 0 309.454 0.805 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC#CCOC)CC1 ZINC001699654301 1178240873 /nfs/dbraw/zinc/24/08/73/1178240873.db2.gz KGIXZPQKNVIPLY-OAHLLOKOSA-N 2 0 307.438 0.749 20 30 DCEDRP COCC#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001699859328 1178319824 /nfs/dbraw/zinc/31/98/24/1178319824.db2.gz SJXKAVVFKFDHFU-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC1(O)C[NH+]([C@H](C)CCC=C)C1 ZINC001699916006 1178374041 /nfs/dbraw/zinc/37/40/41/1178374041.db2.gz LHYGQNOVQWDHDY-CVEARBPZSA-N 2 0 319.449 0.602 20 30 DCEDRP C=CCOCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001699987860 1178407610 /nfs/dbraw/zinc/40/76/10/1178407610.db2.gz RGCVOAWNOQKAFJ-XHSDSOJGSA-N 2 0 307.438 0.673 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001700016954 1178430379 /nfs/dbraw/zinc/43/03/79/1178430379.db2.gz LQEXHRVSZLFUAC-IXDOHACOSA-N 2 0 319.449 0.653 20 30 DCEDRP C=C(C)CC[NH2+][C@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001700243381 1178550847 /nfs/dbraw/zinc/55/08/47/1178550847.db2.gz UEDAVLAFQVANQP-GOSISDBHSA-N 2 0 321.465 0.992 20 30 DCEDRP CC#CC[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCOCC1 ZINC001700248416 1178554141 /nfs/dbraw/zinc/55/41/41/1178554141.db2.gz KGZLAQIADKKHEH-UHFFFAOYSA-N 2 0 307.438 0.607 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH2+]C[C@@H](C)O)CC2)CC1 ZINC001700289371 1178567329 /nfs/dbraw/zinc/56/73/29/1178567329.db2.gz JPRCCBRNYRQPGL-OAHLLOKOSA-N 2 0 321.465 0.683 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001713159083 1180701545 /nfs/dbraw/zinc/70/15/45/1180701545.db2.gz OHTFURNHDDTEQI-KKUMJFAQSA-N 2 0 322.453 0.398 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001713173447 1180708107 /nfs/dbraw/zinc/70/81/07/1180708107.db2.gz XJTAEKVLFWCBGM-QAETUUGQSA-N 2 0 321.465 0.993 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001713293510 1180754004 /nfs/dbraw/zinc/75/40/04/1180754004.db2.gz ZNZVZQYOPBVGMP-WLYUNCDWSA-N 2 0 322.453 0.257 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001713680558 1181013620 /nfs/dbraw/zinc/01/36/20/1181013620.db2.gz OBNKMQHAXPIFNZ-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001714151779 1181265608 /nfs/dbraw/zinc/26/56/08/1181265608.db2.gz UJMBEXSSJXJSMB-HNNXBMFYSA-N 2 0 307.438 0.607 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001714391303 1181347251 /nfs/dbraw/zinc/34/72/51/1181347251.db2.gz PVMVHTATKCCSCS-HOCLYGCPSA-N 2 0 307.438 0.320 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CCCOC)CC1 ZINC001714878705 1181582190 /nfs/dbraw/zinc/58/21/90/1181582190.db2.gz HJVNJWQPXYWIOI-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001715078059 1181683006 /nfs/dbraw/zinc/68/30/06/1181683006.db2.gz XDWHCWXNWJBXBT-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CN(C)CCO2)cc1 ZINC001715193391 1181713156 /nfs/dbraw/zinc/71/31/56/1181713156.db2.gz JLFJAHSKIIUMEZ-INIZCTEOSA-N 2 0 303.406 0.909 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001715333510 1181777699 /nfs/dbraw/zinc/77/76/99/1181777699.db2.gz AGGUXLOQHYUVBB-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001715413826 1181806572 /nfs/dbraw/zinc/80/65/72/1181806572.db2.gz MWEHKIYVMJHZHO-JKSUJKDBSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001715688684 1181941991 /nfs/dbraw/zinc/94/19/91/1181941991.db2.gz BJJHKPBMBJFQEK-CQSZACIVSA-N 2 0 322.453 0.115 20 30 DCEDRP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001715714982 1181954061 /nfs/dbraw/zinc/95/40/61/1181954061.db2.gz OSHXXPWUOPJISL-HUUCEWRRSA-N 2 0 322.453 0.095 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001716492126 1182411958 /nfs/dbraw/zinc/41/19/58/1182411958.db2.gz KHTFZTBHELEVDQ-PMPSAXMXSA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716542439 1182433304 /nfs/dbraw/zinc/43/33/04/1182433304.db2.gz FFVPKXVOQPUOMU-RRFJBIMHSA-N 2 0 324.469 0.455 20 30 DCEDRP C#CC[NH2+]C[C@@H](NC(=O)COC1CC[NH+](C)CC1)C1CCCC1 ZINC001716823075 1182536041 /nfs/dbraw/zinc/53/60/41/1182536041.db2.gz FJXKMYFLEBIEFH-QGZVFWFLSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001716992553 1182614526 /nfs/dbraw/zinc/61/45/26/1182614526.db2.gz UULCKMPRMRKXEI-GJZGRUSLSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CCC[NH2+]CCN(CCO)C(=O)C12CCC[NH+](CCC1)C2 ZINC001717053481 1182652448 /nfs/dbraw/zinc/65/24/48/1182652448.db2.gz FDXMTTCBZGLYIA-UHFFFAOYSA-N 2 0 307.438 0.296 20 30 DCEDRP C#CCC[NH2+]CC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001717268155 1182758092 /nfs/dbraw/zinc/75/80/92/1182758092.db2.gz OXYIOVXMGKYNHF-OAHLLOKOSA-N 2 0 307.438 0.607 20 30 DCEDRP CC#CC[NH2+]CC1CC(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001717383974 1182814659 /nfs/dbraw/zinc/81/46/59/1182814659.db2.gz AZVLNLBUJKERMY-UHFFFAOYSA-N 2 0 317.437 0.566 20 30 DCEDRP C#CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001717613149 1182924930 /nfs/dbraw/zinc/92/49/30/1182924930.db2.gz MMRNTXLGJDOGDP-LSDHHAIUSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001717617200 1182926831 /nfs/dbraw/zinc/92/68/31/1182926831.db2.gz VCUZLUGYPMQCAC-GJZGRUSLSA-N 2 0 307.438 0.557 20 30 DCEDRP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001717942526 1183082788 /nfs/dbraw/zinc/08/27/88/1183082788.db2.gz UKYRVLRPZZFSTA-HNNXBMFYSA-N 2 0 307.438 0.389 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCOCC1 ZINC001724353415 1184412589 /nfs/dbraw/zinc/41/25/89/1184412589.db2.gz BKAYVWCXNPNULW-HNNXBMFYSA-N 2 0 307.438 0.749 20 30 DCEDRP C=CC[NH2+]C1(CNC(=O)[C@H]2CN(CC)CCO2)CCOCC1 ZINC001724370618 1184414584 /nfs/dbraw/zinc/41/45/84/1184414584.db2.gz VMVSLKSTMUOKTA-CQSZACIVSA-N 2 0 311.426 0.148 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001724907031 1184614034 /nfs/dbraw/zinc/61/40/34/1184614034.db2.gz FLPVACGEAPRLSE-YQQAZPJKSA-N 2 0 307.438 0.293 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001724972049 1184637430 /nfs/dbraw/zinc/63/74/30/1184637430.db2.gz QPYWUPRAMMKPSS-UHFFFAOYSA-N 2 0 320.481 0.733 20 30 DCEDRP COCC#CC[N@H+](C)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001725197203 1184718608 /nfs/dbraw/zinc/71/86/08/1184718608.db2.gz SUWATHHMSURCTH-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CC[NH+]1CC([C@H](C)NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001725255654 1184739921 /nfs/dbraw/zinc/73/99/21/1184739921.db2.gz ORCGOKFFLGTAQQ-AWEZNQCLSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001725310413 1184764064 /nfs/dbraw/zinc/76/40/64/1184764064.db2.gz WFCLKLNPJSBHJA-LVQVYYBASA-N 2 0 309.429 0.984 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001731433330 1185331087 /nfs/dbraw/zinc/33/10/87/1185331087.db2.gz KUTCZGDXUNUMEA-HZSPNIEDSA-N 2 0 310.442 0.208 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001731963064 1185610010 /nfs/dbraw/zinc/61/00/10/1185610010.db2.gz XBSSJQIUMBVFTP-AWEZNQCLSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CC[NH+]1CCC(CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001732324369 1185765550 /nfs/dbraw/zinc/76/55/50/1185765550.db2.gz ADSLTDHCTDYAHK-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001733590003 1186349542 /nfs/dbraw/zinc/34/95/42/1186349542.db2.gz HWQZKEJDYYJLSB-QGZVFWFLSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)C2CC[NH+](CC#C)CC2)CCC1 ZINC001733727889 1186416802 /nfs/dbraw/zinc/41/68/02/1186416802.db2.gz ASJSWTZCSWPJES-UHFFFAOYSA-N 2 0 301.434 0.983 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001733888807 1186487683 /nfs/dbraw/zinc/48/76/83/1186487683.db2.gz IXHAJBCHCZUTNH-GJZGRUSLSA-N 2 0 307.438 0.436 20 30 DCEDRP CC#CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001733912983 1186494906 /nfs/dbraw/zinc/49/49/06/1186494906.db2.gz GEXHCBVUDBYYJW-HUUCEWRRSA-N 2 0 307.438 0.293 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC#CCOC ZINC001734039972 1186527800 /nfs/dbraw/zinc/52/78/00/1186527800.db2.gz VDMXHFRHLPNFPZ-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001734294737 1186608765 /nfs/dbraw/zinc/60/87/65/1186608765.db2.gz FOTMZAAOSRAOLI-LSDHHAIUSA-N 2 0 322.453 0.209 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001734504210 1186667747 /nfs/dbraw/zinc/66/77/47/1186667747.db2.gz MTOOSCJDPWYMPH-HNNXBMFYSA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001734505368 1186667797 /nfs/dbraw/zinc/66/77/97/1186667797.db2.gz TUMNUIYLQSXFAY-KGLIPLIRSA-N 2 0 322.453 0.067 20 30 DCEDRP C#CC[NH2+]C[C@@H](NC(=O)COC1CC[NH+](C)CC1)C(C)(C)C ZINC001734576706 1186693355 /nfs/dbraw/zinc/69/33/55/1186693355.db2.gz ZZQYSIOYILLZHV-OAHLLOKOSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CC[NH+]1CCN(CCN(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001753343605 1186998970 /nfs/dbraw/zinc/99/89/70/1186998970.db2.gz XJJGKHSLMMSEJJ-UHFFFAOYSA-N 2 0 308.470 0.590 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001753927174 1188686156 /nfs/dbraw/zinc/68/61/56/1188686156.db2.gz FOIUNIVXOMQNGE-MRXNPFEDSA-N 2 0 303.406 0.104 20 30 DCEDRP C#CCC[NH2+]CCN(CCO)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001754893531 1188966786 /nfs/dbraw/zinc/96/67/86/1188966786.db2.gz YIOBCZISNYNSJG-MRXNPFEDSA-N 2 0 309.454 0.685 20 30 DCEDRP C=C(C)C[NH2+]CC1(O)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001755154601 1189038617 /nfs/dbraw/zinc/03/86/17/1189038617.db2.gz BRDAQWRANZGAKZ-OAHLLOKOSA-N 2 0 309.454 0.847 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001755199916 1189053888 /nfs/dbraw/zinc/05/38/88/1189053888.db2.gz AYXFRHQBYMAOCT-IRXDYDNUSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001755430858 1189110439 /nfs/dbraw/zinc/11/04/39/1189110439.db2.gz SPXCJMUHCHELIB-PHZGNYQRSA-N 2 0 305.422 0.024 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001755479027 1189123153 /nfs/dbraw/zinc/12/31/53/1189123153.db2.gz ZDOJJSVGSGBPOV-RBSFLKMASA-N 2 0 322.453 0.115 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001755679948 1189182606 /nfs/dbraw/zinc/18/26/06/1189182606.db2.gz AZXILEAJITVQCS-UONOGXRCSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCO)C(C)(C)C)CC1 ZINC001755839052 1189232956 /nfs/dbraw/zinc/23/29/56/1189232956.db2.gz IHXFTDBTDABMFX-OAHLLOKOSA-N 2 0 309.454 0.444 20 30 DCEDRP COCC#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001755898073 1189253885 /nfs/dbraw/zinc/25/38/85/1189253885.db2.gz XHIXXSXFQPHYMU-MRXNPFEDSA-N 2 0 305.422 0.336 20 30 DCEDRP COCC#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001167237100 747033946 /nfs/dbraw/zinc/03/39/46/747033946.db2.gz UNWSYTMSFKKVRU-CVEARBPZSA-N 2 0 321.465 0.710 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001105014739 748004316 /nfs/dbraw/zinc/00/43/16/748004316.db2.gz ZTIBHIXACYFVNH-IAGOWNOFSA-N 2 0 321.465 0.806 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001088574608 749678913 /nfs/dbraw/zinc/67/89/13/749678913.db2.gz FMJRHCADNPLFFD-CABCVRRESA-N 2 0 317.437 0.661 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+]C[C@@H](C)O)CC2)CC1 ZINC001168307937 749906686 /nfs/dbraw/zinc/90/66/86/749906686.db2.gz NGVSEUPVFWFRII-OAHLLOKOSA-N 2 0 321.465 0.589 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001077276137 750312774 /nfs/dbraw/zinc/31/27/74/750312774.db2.gz NLNKFZCQRNPMGI-HZPDHXFCSA-N 2 0 312.373 0.441 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666013 751221583 /nfs/dbraw/zinc/22/15/83/751221583.db2.gz DYTPMFAAGLNERL-BRWVUGGUSA-N 2 0 321.465 0.662 20 30 DCEDRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1)[NH+](C)C ZINC001106674077 751223012 /nfs/dbraw/zinc/22/30/12/751223012.db2.gz QKBYWVCZBNSGOB-OAGGEKHMSA-N 2 0 309.454 0.661 20 30 DCEDRP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001045663973 753285006 /nfs/dbraw/zinc/28/50/06/753285006.db2.gz UDBBKXKBQMVJPH-CVEARBPZSA-N 2 0 319.449 0.701 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081906 753471696 /nfs/dbraw/zinc/47/16/96/753471696.db2.gz LRLPFBFTIYOGBZ-SJORKVTESA-N 2 0 318.465 0.180 20 30 DCEDRP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046082157 753471911 /nfs/dbraw/zinc/47/19/11/753471911.db2.gz OSSHNVRIDOKSOI-MRXNPFEDSA-N 2 0 306.454 0.487 20 30 DCEDRP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046501174 753752896 /nfs/dbraw/zinc/75/28/96/753752896.db2.gz LHOUKPOLQYOYEM-HILOLKJVSA-N 2 0 317.433 0.454 20 30 DCEDRP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001047407510 754254966 /nfs/dbraw/zinc/25/49/66/754254966.db2.gz IUVSDPUCQKLIGT-IKGGRYGDSA-N 2 0 321.465 0.491 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047553593 754386404 /nfs/dbraw/zinc/38/64/04/754386404.db2.gz NAHCBFKSYAEMMN-HOTGVXAUSA-N 2 0 309.454 0.798 20 30 DCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C[C@H]2C1 ZINC001048818231 754958536 /nfs/dbraw/zinc/95/85/36/754958536.db2.gz GKTQDWMEMHPGHQ-WCXIOVBPSA-N 2 0 301.434 0.884 20 30 DCEDRP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833487 754967276 /nfs/dbraw/zinc/96/72/76/754967276.db2.gz PLGBNDIALVFHFD-YYIAUSFCSA-N 2 0 319.449 0.816 20 30 DCEDRP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833949 754967399 /nfs/dbraw/zinc/96/73/99/754967399.db2.gz WBIRQEZWVQUZPH-TWMKSMIVSA-N 2 0 317.433 0.263 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CC=C)C[C@@H]3C2)CC1 ZINC001049235792 755197152 /nfs/dbraw/zinc/19/71/52/755197152.db2.gz WBILCFOTBVDTNV-CALCHBBNSA-N 2 0 301.434 0.908 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC001080998119 756417776 /nfs/dbraw/zinc/41/77/76/756417776.db2.gz SZIWDTQFPBHPAD-IIAWOOMASA-N 2 0 307.438 0.149 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1C ZINC001054797494 756642993 /nfs/dbraw/zinc/64/29/93/756642993.db2.gz HHWGUBQNQKPFSG-LSDHHAIUSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@H](OC)C1 ZINC001081766766 756802754 /nfs/dbraw/zinc/80/27/54/756802754.db2.gz CFXLSEJUMYBSMJ-OWCLPIDISA-N 2 0 307.438 0.700 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001082066263 756916261 /nfs/dbraw/zinc/91/62/61/756916261.db2.gz ISDHWALXWZBNIS-CAOSSQGBSA-N 2 0 307.438 0.555 20 30 DCEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090392173 757352948 /nfs/dbraw/zinc/35/29/48/757352948.db2.gz QRUNPAAPNXSZQH-HUUCEWRRSA-N 2 0 307.438 0.742 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084347623 757797417 /nfs/dbraw/zinc/79/74/17/757797417.db2.gz YILUZAMJDHXPRI-IXDOHACOSA-N 2 0 301.434 0.884 20 30 DCEDRP C#CC[NH+]1CCC2(CN(C(=O)COC3CC[NH+](C)CC3)C2)CC1 ZINC001050712323 757997927 /nfs/dbraw/zinc/99/79/27/757997927.db2.gz YUTBHGHECISOCS-UHFFFAOYSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CCC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001098371576 762656843 /nfs/dbraw/zinc/65/68/43/762656843.db2.gz ZANUUJRRGFBPNN-NVXWUHKLSA-N 2 0 321.465 0.635 20 30 DCEDRP C[NH+](C)CCOCC(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001147841274 767857798 /nfs/dbraw/zinc/85/77/98/767857798.db2.gz CDUCGUGSEWWMAM-UHFFFAOYSA-N 2 0 322.384 0.481 20 30 DCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001086088504 759700929 /nfs/dbraw/zinc/70/09/29/759700929.db2.gz AAESDWPUHRMMEJ-OKILXGFUSA-N 2 0 305.426 0.729 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001098451024 760304723 /nfs/dbraw/zinc/30/47/23/760304723.db2.gz SASNWWKLUHQJJW-MRXNPFEDSA-N 2 0 307.438 0.389 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001070534742 761297595 /nfs/dbraw/zinc/29/75/95/761297595.db2.gz LTNWURYYWQELNR-IMJJTQAJSA-N 2 0 319.453 0.830 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070563708 761318040 /nfs/dbraw/zinc/31/80/40/761318040.db2.gz HPIWJJOAFNFJGP-OFQRWUPVSA-N 2 0 317.437 0.442 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)Cc3[nH]cnc3C)C2)C1 ZINC001148672768 768030830 /nfs/dbraw/zinc/03/08/30/768030830.db2.gz LBIVNESYKPOWDG-UHFFFAOYSA-N 2 0 316.405 0.445 20 30 DCEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2 ZINC001112563498 761695173 /nfs/dbraw/zinc/69/51/73/761695173.db2.gz YEQXBACYUGSCCI-RDJZCZTQSA-N 2 0 307.438 0.416 20 30 DCEDRP COCC#CC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430900 762940784 /nfs/dbraw/zinc/94/07/84/762940784.db2.gz ZJMPLGZIDIIHOF-INIZCTEOSA-N 2 0 307.438 0.749 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnc(C)s1 ZINC001129770205 763007610 /nfs/dbraw/zinc/00/76/10/763007610.db2.gz CNBDTBQFCMWXIV-AWEZNQCLSA-N 2 0 306.435 0.755 20 30 DCEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001130047550 763104259 /nfs/dbraw/zinc/10/42/59/763104259.db2.gz GMORZGSVNHEYQB-CABCVRRESA-N 2 0 320.441 0.538 20 30 DCEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130136997 763144908 /nfs/dbraw/zinc/14/49/08/763144908.db2.gz CYILOFBMAXXJTP-CABCVRRESA-N 2 0 320.441 0.536 20 30 DCEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100075932 763285162 /nfs/dbraw/zinc/28/51/62/763285162.db2.gz CKCUCBQOEHGBLG-LSDHHAIUSA-N 2 0 313.442 0.082 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[NH+](C)C)C1 ZINC001130415189 763292653 /nfs/dbraw/zinc/29/26/53/763292653.db2.gz CSRNDRJHAJKSNB-CYBMUJFWSA-N 2 0 305.426 0.953 20 30 DCEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100127574 763335680 /nfs/dbraw/zinc/33/56/80/763335680.db2.gz WZKNLSBILPIWKU-CVEARBPZSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100141541 763347530 /nfs/dbraw/zinc/34/75/30/763347530.db2.gz VPNMUBCELKDUIE-HOTGVXAUSA-N 2 0 309.454 0.990 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@@H](C)O2 ZINC001131681694 763935169 /nfs/dbraw/zinc/93/51/69/763935169.db2.gz GPDHZGYXMHQPEO-NVXWUHKLSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@@H+](C)C(C)C)C[C@H](C)O2 ZINC001131704110 763949355 /nfs/dbraw/zinc/94/93/55/763949355.db2.gz QPYVHDVZDWFZPZ-DOTOQJQBSA-N 2 0 307.438 0.652 20 30 DCEDRP C#CC[NH+]1CC[C@@]2(C1)CN(C(=O)CC[N@@H+](C)CC)C[C@H](C)O2 ZINC001131694116 763954483 /nfs/dbraw/zinc/95/44/83/763954483.db2.gz UOKFGHOMHZOQBW-DOTOQJQBSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CCOCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158509098 764148667 /nfs/dbraw/zinc/14/86/67/764148667.db2.gz ZAWUBKYUBYUALY-LSDHHAIUSA-N 2 0 311.426 0.148 20 30 DCEDRP C#CC[N@H+]1C[C@@H](CNC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102384879 764623643 /nfs/dbraw/zinc/62/36/43/764623643.db2.gz GQSGQYXMMVITGG-BRWVUGGUSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514348 764675075 /nfs/dbraw/zinc/67/50/75/764675075.db2.gz UQNDASZSEHYERE-HZPDHXFCSA-N 2 0 321.465 0.969 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@@H+](CCO)C[C@H]2C)CC1 ZINC001103752373 765120145 /nfs/dbraw/zinc/12/01/45/765120145.db2.gz CFQVVTFOMPADAU-NVXWUHKLSA-N 2 0 321.465 0.398 20 30 DCEDRP COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583982 765581242 /nfs/dbraw/zinc/58/12/42/765581242.db2.gz POPOQSXOJOIQHO-HUUCEWRRSA-N 2 0 309.454 0.993 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134613097 765590094 /nfs/dbraw/zinc/59/00/94/765590094.db2.gz SDAGUAJJMXNRSQ-GJZGRUSLSA-N 2 0 309.454 0.993 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134759313 765657901 /nfs/dbraw/zinc/65/79/01/765657901.db2.gz LTOCQWQOEMKEDH-HUUCEWRRSA-N 2 0 324.469 0.647 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001135474205 765939765 /nfs/dbraw/zinc/93/97/65/765939765.db2.gz JTVFXGVNKZBVHN-LSDHHAIUSA-N 2 0 324.469 0.197 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135992780 766199553 /nfs/dbraw/zinc/19/95/53/766199553.db2.gz VELKQRXDQNBZMU-CABCVRRESA-N 2 0 324.469 0.341 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135992782 766199851 /nfs/dbraw/zinc/19/98/51/766199851.db2.gz VELKQRXDQNBZMU-HUUCEWRRSA-N 2 0 324.469 0.341 20 30 DCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001118322684 766288217 /nfs/dbraw/zinc/28/82/17/766288217.db2.gz NGHDOGOEJSSWPQ-LSDHHAIUSA-N 2 0 308.426 0.578 20 30 DCEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090542226 766305526 /nfs/dbraw/zinc/30/55/26/766305526.db2.gz BOLBLPHPCKLTEE-JKSUJKDBSA-N 2 0 309.454 0.846 20 30 DCEDRP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090572632 766327546 /nfs/dbraw/zinc/32/75/46/766327546.db2.gz HFGVNQIWTDCMSL-LSDHHAIUSA-N 2 0 309.454 0.846 20 30 DCEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cnc2C)[C@@H](O)C1 ZINC001090765847 766569039 /nfs/dbraw/zinc/56/90/39/766569039.db2.gz YPSYAKCGTFTVSX-ZFWWWQNUSA-N 2 0 306.410 0.778 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N1CCCN(CC(=O)N(CC)CC)CC1 ZINC001144285387 766854053 /nfs/dbraw/zinc/85/40/53/766854053.db2.gz NUQPPTUSEVSJCF-UHFFFAOYSA-N 2 0 324.469 0.507 20 30 DCEDRP C[NH+](C)CCOCC(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001171204872 767002230 /nfs/dbraw/zinc/00/22/30/767002230.db2.gz HBBUUOOIAOJQIN-UHFFFAOYSA-N 2 0 324.450 0.794 20 30 DCEDRP C#CCC[NH2+]C1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001202880905 768448340 /nfs/dbraw/zinc/44/83/40/768448340.db2.gz JJCTTXPWSPCDRG-UHFFFAOYSA-N 2 0 317.437 0.662 20 30 DCEDRP N#Cc1cc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)ccc1F ZINC001151115348 769265302 /nfs/dbraw/zinc/26/53/02/769265302.db2.gz VUHKNCUWVYMQMO-UHFFFAOYSA-N 2 0 304.369 0.999 20 30 DCEDRP C#CC[NH+]1CCC(CCOC)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001151399056 769331192 /nfs/dbraw/zinc/33/11/92/769331192.db2.gz LTDYVFRAVHRXPS-UHFFFAOYSA-N 2 0 319.449 0.703 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cncc(F)c2)CC1 ZINC001152334825 769530001 /nfs/dbraw/zinc/53/00/01/769530001.db2.gz QJKWZPOYKOOIJN-UHFFFAOYSA-N 2 0 318.396 0.772 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001152479353 769572508 /nfs/dbraw/zinc/57/25/08/769572508.db2.gz FTQJTXLGXSMXSC-INIZCTEOSA-N 2 0 324.469 0.505 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001175048948 769854342 /nfs/dbraw/zinc/85/43/42/769854342.db2.gz MQAUJBDJKZLHBG-HUUCEWRRSA-N 2 0 324.469 0.341 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2cnon2)CC1 ZINC001176925807 770226054 /nfs/dbraw/zinc/22/60/54/770226054.db2.gz BSABHSVIYPWHHN-UHFFFAOYSA-N 2 0 305.382 0.011 20 30 DCEDRP C=CCOCC[NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001203354797 770454695 /nfs/dbraw/zinc/45/46/95/770454695.db2.gz IAOMVFQIZGMSOK-UHFFFAOYSA-N 2 0 307.438 0.865 20 30 DCEDRP COCC#CC[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203357036 770829980 /nfs/dbraw/zinc/82/99/80/770829980.db2.gz CXXNPNURKWGHHP-CABCVRRESA-N 2 0 307.438 0.605 20 30 DCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001182669903 771525687 /nfs/dbraw/zinc/52/56/87/771525687.db2.gz FCMRBFIJXKNOAC-CQSZACIVSA-N 2 0 303.410 0.272 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H](CC)OC)C1 ZINC001183353931 771637512 /nfs/dbraw/zinc/63/75/12/771637512.db2.gz HKQVTLKUONDLEZ-PMPSAXMXSA-N 2 0 307.438 0.700 20 30 DCEDRP COCC#CC[NH2+]C[C@]1(C)CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001183398767 771644373 /nfs/dbraw/zinc/64/43/73/771644373.db2.gz GGHAYWHEEPWADO-SJLPKXTDSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001157899800 771689045 /nfs/dbraw/zinc/68/90/45/771689045.db2.gz VTALKFRMMLJQLI-LSDHHAIUSA-N 2 0 324.469 0.646 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158029835 771715501 /nfs/dbraw/zinc/71/55/01/771715501.db2.gz LKOAKOXUWVQIRE-HUUCEWRRSA-N 2 0 322.453 0.259 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1=O ZINC001158372570 771764819 /nfs/dbraw/zinc/76/48/19/771764819.db2.gz MGCPDPPGUTXCJL-KFWWJZLASA-N 2 0 322.453 0.209 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185454688 771917331 /nfs/dbraw/zinc/91/73/31/771917331.db2.gz BTQYMFRNMUFMQK-RRFJBIMHSA-N 2 0 324.469 0.454 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001159997153 771986530 /nfs/dbraw/zinc/98/65/30/771986530.db2.gz IIMRRXQEQVIBEO-HNNXBMFYSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CC[NH2+][C@@H]1CCCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001186146526 772012520 /nfs/dbraw/zinc/01/25/20/772012520.db2.gz LGPJURHPIXUBHR-AEFFLSMTSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001160274948 772017227 /nfs/dbraw/zinc/01/72/27/772017227.db2.gz XTDQADWHTYGOPB-LSDHHAIUSA-N 2 0 322.453 0.095 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC12CCOCC2 ZINC001186552718 772060067 /nfs/dbraw/zinc/06/00/67/772060067.db2.gz KUSOCBKSDOLKJR-JKSUJKDBSA-N 2 0 321.465 0.969 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187231304 772150218 /nfs/dbraw/zinc/15/02/18/772150218.db2.gz ISTAGNQDPHJXNR-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP CN(C)/C=[NH+]/c1ccc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)cc1C#N ZINC001163252146 772491799 /nfs/dbraw/zinc/49/17/99/772491799.db2.gz FMDHZHCKIPWHTA-QNVQTRSSSA-N 2 0 312.377 0.770 20 30 DCEDRP CC#CC[NH2+]C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001203709507 772534924 /nfs/dbraw/zinc/53/49/24/772534924.db2.gz USDZTDGNTKAKEJ-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001203437236 772907102 /nfs/dbraw/zinc/90/71/02/772907102.db2.gz HPBHXIIVHYKYBN-UHFFFAOYSA-N 2 0 310.442 0.211 20 30 DCEDRP COCC#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001206281569 773062334 /nfs/dbraw/zinc/06/23/34/773062334.db2.gz MGPBRQBCPSUGLR-RDJZCZTQSA-N 2 0 321.465 0.662 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193462795 773066788 /nfs/dbraw/zinc/06/67/88/773066788.db2.gz PULNXJQBOWUCPS-HZPDHXFCSA-N 2 0 307.438 0.511 20 30 DCEDRP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001194399720 773186630 /nfs/dbraw/zinc/18/66/30/773186630.db2.gz RIIBYHFQBAWGDT-HUUCEWRRSA-N 2 0 307.438 0.742 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207649708 773255874 /nfs/dbraw/zinc/25/58/74/773255874.db2.gz CRAHLPRXPIBLBI-OAGGEKHMSA-N 2 0 309.454 0.659 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001208640019 773509755 /nfs/dbraw/zinc/50/97/55/773509755.db2.gz XLLVPNMBZWLEJF-GARNVTTQSA-N 2 0 317.433 0.454 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001209633357 773627320 /nfs/dbraw/zinc/62/73/20/773627320.db2.gz SWZHTSXFUQPLLN-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210495319 773715287 /nfs/dbraw/zinc/71/52/87/773715287.db2.gz ZANXNBJZPXAEOT-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCC[C@@H]2CCOC2)CC1 ZINC001152330273 773730232 /nfs/dbraw/zinc/73/02/32/773730232.db2.gz KTCMNUIAHBKSCZ-MRXNPFEDSA-N 2 0 321.465 0.854 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211090712 773769376 /nfs/dbraw/zinc/76/93/76/773769376.db2.gz LECWXOWDTFNLLQ-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198653080 773958232 /nfs/dbraw/zinc/95/82/32/773958232.db2.gz HCUOSTCFNGUWHP-BZUAXINKSA-N 2 0 309.454 0.846 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001215001240 774031759 /nfs/dbraw/zinc/03/17/59/774031759.db2.gz AIBCKYHXSASIEB-ZIAGYGMSSA-N 2 0 324.469 0.455 20 30 DCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215599078 774084571 /nfs/dbraw/zinc/08/45/71/774084571.db2.gz QIXCWEPJDYDOSH-BRWVUGGUSA-N 2 0 321.465 0.947 20 30 DCEDRP N#Cc1c(NC(=O)C[C@@]2(O)CCC[NH2+]C2)sc2c1CC[NH2+]C2 ZINC001218552422 774244711 /nfs/dbraw/zinc/24/47/11/774244711.db2.gz FYKORSADHJQMNV-HNNXBMFYSA-N 2 0 320.418 0.709 20 30 DCEDRP C#Cc1cnc(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c(C#C)n1 ZINC001218658001 774274948 /nfs/dbraw/zinc/27/49/48/774274948.db2.gz YEKAQCBRNIRYJI-AWEZNQCLSA-N 2 0 309.373 0.252 20 30 DCEDRP N=C(c1ccccc1N)N(O)C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218966196 774336519 /nfs/dbraw/zinc/33/65/19/774336519.db2.gz RJCPMQZSIFBRQU-CYBMUJFWSA-N 2 0 317.393 0.686 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200527878 774361842 /nfs/dbraw/zinc/36/18/42/774361842.db2.gz BRZQJNJOEKEMBI-DLBZAZTESA-N 2 0 319.449 0.559 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCOC ZINC001110678812 774707002 /nfs/dbraw/zinc/70/70/02/774707002.db2.gz IXFQOOSTILPLBG-NCOADZHNSA-N 2 0 319.449 0.842 20 30 DCEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC1(C#N)Cc2ccccc2C1 ZINC001221367324 775078069 /nfs/dbraw/zinc/07/80/69/775078069.db2.gz PEZRUSOWXPXXRQ-HNNXBMFYSA-N 2 0 300.406 0.881 20 30 DCEDRP COCC#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001224546915 775580694 /nfs/dbraw/zinc/58/06/94/775580694.db2.gz SUIAULZSCSVDKX-NVXWUHKLSA-N 2 0 321.465 0.662 20 30 DCEDRP CCC[N@H+](C)CC(=O)NCC1CC[NH+](CC#CCOC)CC1 ZINC001225228541 775656769 /nfs/dbraw/zinc/65/67/69/775656769.db2.gz OZRKEPGNRZXNKG-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP COCC#CC[NH+]1CCC(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001225442693 775678493 /nfs/dbraw/zinc/67/84/93/775678493.db2.gz SVQXLYSDISGVPS-UHFFFAOYSA-N 2 0 307.438 0.560 20 30 DCEDRP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001111407905 775844667 /nfs/dbraw/zinc/84/46/67/775844667.db2.gz ZCNHDRVUUVSJBS-JJXSEGSLSA-N 2 0 307.438 0.862 20 30 DCEDRP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001114794748 776134887 /nfs/dbraw/zinc/13/48/87/776134887.db2.gz OWCNOKJBTZZGPJ-FXUDXRNXSA-N 2 0 309.454 0.822 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+](CC)CC ZINC001229202377 776167774 /nfs/dbraw/zinc/16/77/74/776167774.db2.gz RJPMCGIWRUARJL-HUUCEWRRSA-N 2 0 324.469 0.647 20 30 DCEDRP CC#CC[NH+]1CCC(NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001229806275 776226071 /nfs/dbraw/zinc/22/60/71/776226071.db2.gz ANTSYHBEYOYJOQ-UHFFFAOYSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001041366733 777232346 /nfs/dbraw/zinc/23/23/46/777232346.db2.gz AKIXOHPNOWCLSF-DOTOQJQBSA-N 2 0 305.422 0.001 20 30 DCEDRP C#CC[N@H+](CC)CCNC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001266392945 939104239 /nfs/dbraw/zinc/10/42/39/939104239.db2.gz SHCLUSUZSCZSPV-OAHLLOKOSA-N 2 0 303.410 0.861 20 30 DCEDRP C=CCNC(=O)CN1CCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266488414 939133414 /nfs/dbraw/zinc/13/34/14/939133414.db2.gz IYERTZGMEMZDDK-GJZGRUSLSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001266593484 939174309 /nfs/dbraw/zinc/17/43/09/939174309.db2.gz LLMQRURXNPNRGD-HDJSIYSDSA-N 2 0 305.426 0.871 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1=O ZINC001266827890 939246805 /nfs/dbraw/zinc/24/68/05/939246805.db2.gz FMPCGUQTTWTAOF-LSDHHAIUSA-N 2 0 324.469 0.408 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001267110760 939347405 /nfs/dbraw/zinc/34/74/05/939347405.db2.gz ICHSJSGPNMVIIT-HUUCEWRRSA-N 2 0 324.469 0.552 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2cncn2C)CC1 ZINC001267117624 939349862 /nfs/dbraw/zinc/34/98/62/939349862.db2.gz UJLICAHQAILRFW-UHFFFAOYSA-N 2 0 317.437 0.313 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001267216701 939390645 /nfs/dbraw/zinc/39/06/45/939390645.db2.gz QGVIEUKLYNHNCY-DOTOQJQBSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001267445783 939458950 /nfs/dbraw/zinc/45/89/50/939458950.db2.gz HWAYZWCGWZORQD-OAHLLOKOSA-N 2 0 324.469 0.457 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267562005 939500773 /nfs/dbraw/zinc/50/07/73/939500773.db2.gz IINZHPPPOHSBDX-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001267569269 939504085 /nfs/dbraw/zinc/50/40/85/939504085.db2.gz RVBLNTGASSZXBQ-SJORKVTESA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)[C@H](C)N(CC)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001480965027 939504268 /nfs/dbraw/zinc/50/42/68/939504268.db2.gz JXLAHOLZNRAYHP-KBPBESRZSA-N 2 0 310.442 0.209 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001481099418 939560124 /nfs/dbraw/zinc/56/01/24/939560124.db2.gz FCWHSGRCQFLIBM-MRXNPFEDSA-N 2 0 319.449 0.703 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]C[C@H](C)OC)CC1 ZINC001267832172 939691882 /nfs/dbraw/zinc/69/18/82/939691882.db2.gz YFXIYVGAIHHIRA-HOCLYGCPSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH2+]C[C@@](C)(NC(=O)c1ccn(CC[NH+](C)C)n1)C1CC1 ZINC001267852661 939695192 /nfs/dbraw/zinc/69/51/92/939695192.db2.gz FMVMDKMYGIYBQQ-QGZVFWFLSA-N 2 0 317.437 0.566 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268116714 939950774 /nfs/dbraw/zinc/95/07/74/939950774.db2.gz TWUVEKCKAQJIQI-HZPDHXFCSA-N 2 0 309.454 0.708 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268803360 940366342 /nfs/dbraw/zinc/36/63/42/940366342.db2.gz ZXOMVDXIVVPRQC-AWEZNQCLSA-N 2 0 310.442 0.211 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+][C@H](CC)C(N)=O)CC1 ZINC001269514702 940722727 /nfs/dbraw/zinc/72/27/27/940722727.db2.gz AJFGMVAOLHTNRZ-LSDHHAIUSA-N 2 0 322.453 0.080 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001270165807 940847929 /nfs/dbraw/zinc/84/79/29/940847929.db2.gz QNKOGLVCLFCUHT-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001270263883 940867520 /nfs/dbraw/zinc/86/75/20/940867520.db2.gz ZXDHROAOTIENHC-KGLIPLIRSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001270847153 941010244 /nfs/dbraw/zinc/01/02/44/941010244.db2.gz LFLBKAFDPRGHDT-QGZVFWFLSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001270847736 941010710 /nfs/dbraw/zinc/01/07/10/941010710.db2.gz QGUCJOCKKWWOBO-SJLPKXTDSA-N 2 0 321.465 0.806 20 30 DCEDRP C=C(C)CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001271145974 941288610 /nfs/dbraw/zinc/28/86/10/941288610.db2.gz QXSHHLLAMAQIGH-INMHGKMJSA-N 2 0 309.454 0.846 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001271518431 941394359 /nfs/dbraw/zinc/39/43/59/941394359.db2.gz HQNFKONLPIZULI-DOTOQJQBSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001271883478 941472535 /nfs/dbraw/zinc/47/25/35/941472535.db2.gz BAZTZZWZQQGXBD-GJZGRUSLSA-N 2 0 324.469 0.503 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]C[C@H](C)OC)C2CC2)CC1 ZINC001483608675 942461191 /nfs/dbraw/zinc/46/11/91/942461191.db2.gz UPXPEBPUWFPZGX-YOEHRIQHSA-N 2 0 321.465 0.851 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001483934173 943035924 /nfs/dbraw/zinc/03/59/24/943035924.db2.gz GQESAORLJQSCPQ-LSDHHAIUSA-N 2 0 322.453 0.354 20 30 DCEDRP COCC#CC[NH+]1CCC(C)(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001483973198 943062812 /nfs/dbraw/zinc/06/28/12/943062812.db2.gz UQQNKBGCFZMIDE-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001484121986 943156323 /nfs/dbraw/zinc/15/63/23/943156323.db2.gz NGUYOXVEAYDSTB-FUHWJXTLSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001484450473 943395432 /nfs/dbraw/zinc/39/54/32/943395432.db2.gz NZGHKORTHQACSA-QGZVFWFLSA-N 2 0 309.454 0.992 20 30 DCEDRP C#CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001484923449 943626456 /nfs/dbraw/zinc/62/64/56/943626456.db2.gz QJLNNFKQXAZNTN-AWEZNQCLSA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001484938132 943628846 /nfs/dbraw/zinc/62/88/46/943628846.db2.gz VNZLWQLOTOVRTA-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001484955086 943636900 /nfs/dbraw/zinc/63/69/00/943636900.db2.gz ZRFRVTCBLRNWGF-HNNXBMFYSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCC[NH2+][C@H](C)C(N)=O)CC1 ZINC001485752008 944120278 /nfs/dbraw/zinc/12/02/78/944120278.db2.gz SJTYJOAKYFLACT-UONOGXRCSA-N 2 0 322.453 0.080 20 30 DCEDRP CC[C@@H](C(=O)N1CC2(C1)CC[NH+](CC#CCOC)CC2)[NH+](C)C ZINC001272825503 944262175 /nfs/dbraw/zinc/26/21/75/944262175.db2.gz GLQXMWSJEQJBNA-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCCC[NH2+]C[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001486287895 944700886 /nfs/dbraw/zinc/70/08/86/944700886.db2.gz HCHKOYHAJIKOLJ-OAHLLOKOSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)C1=O ZINC001317128427 944814294 /nfs/dbraw/zinc/81/42/94/944814294.db2.gz OOHQCVRYHSHFND-QLFBSQMISA-N 2 0 322.453 0.350 20 30 DCEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001317341448 944931932 /nfs/dbraw/zinc/93/19/32/944931932.db2.gz ACQSUCPYKMYGII-HZPDHXFCSA-N 2 0 309.454 0.969 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001317535574 945033681 /nfs/dbraw/zinc/03/36/81/945033681.db2.gz JJSPUWHMTABQBB-QGZVFWFLSA-N 2 0 321.465 0.950 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC#CCOC ZINC001318529386 945393594 /nfs/dbraw/zinc/39/35/94/945393594.db2.gz KZAWOHZRUOAUFU-CVEARBPZSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]C[C@H]2CCOC2)CC1 ZINC001319285611 945541152 /nfs/dbraw/zinc/54/11/52/945541152.db2.gz NHKBOPRYRKEVSD-JKSUJKDBSA-N 2 0 321.465 0.710 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC)CCOCC2)CC1 ZINC001278733691 946147201 /nfs/dbraw/zinc/14/72/01/946147201.db2.gz LAKRTYHRLAALOP-UHFFFAOYSA-N 2 0 307.438 0.607 20 30 DCEDRP C=C(C)CC[NH+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001278816791 946438384 /nfs/dbraw/zinc/43/83/84/946438384.db2.gz WTUAHBUBGRNXCZ-DOTOQJQBSA-N 2 0 309.454 0.847 20 30 DCEDRP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C2)CC1 ZINC001261457243 947299267 /nfs/dbraw/zinc/29/92/67/947299267.db2.gz BWDJYSFAEBLQRB-ZFWWWQNUSA-N 2 0 307.442 0.292 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261492725 947318000 /nfs/dbraw/zinc/31/80/00/947318000.db2.gz ROBPFVTXZOUHSD-ZDUSSCGKSA-N 2 0 308.426 0.852 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001324456276 947429966 /nfs/dbraw/zinc/42/99/66/947429966.db2.gz UCZKJDBPDTZWJM-IRXDYDNUSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001325125048 947734105 /nfs/dbraw/zinc/73/41/05/947734105.db2.gz AAFMRGYOMNGDQT-KRWDZBQOSA-N 2 0 309.454 0.541 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001179651538 947881552 /nfs/dbraw/zinc/88/15/52/947881552.db2.gz HHDJQSUJPWZDKC-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001325866108 947959772 /nfs/dbraw/zinc/95/97/72/947959772.db2.gz UDRUOMYJIDHNMT-SFHVURJKSA-N 2 0 321.465 0.829 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CC#CCOC)C[C@H]21 ZINC001325954854 947989705 /nfs/dbraw/zinc/98/97/05/947989705.db2.gz HVQHOGCKESGKTC-DLBZAZTESA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCN1CC[C@@]2(CC[N@@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001273728447 948051047 /nfs/dbraw/zinc/05/10/47/948051047.db2.gz NWMMDVDMMYSGNE-GOSISDBHSA-N 2 0 320.481 0.734 20 30 DCEDRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001326341568 948134108 /nfs/dbraw/zinc/13/41/08/948134108.db2.gz WJKNEGDQLHHSPC-CABCVRRESA-N 2 0 309.458 0.397 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001326507777 948182298 /nfs/dbraw/zinc/18/22/98/948182298.db2.gz JXLXMMYAXASMBL-ULQDDVLXSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCO1 ZINC001326987937 948353931 /nfs/dbraw/zinc/35/39/31/948353931.db2.gz HIKULWDZCQCWFD-DLBZAZTESA-N 2 0 319.449 0.844 20 30 DCEDRP C#CCCN1CC2(C1)CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)O2 ZINC001327365421 948479751 /nfs/dbraw/zinc/47/97/51/948479751.db2.gz SNDLZGZNZMGIAK-JKSUJKDBSA-N 2 0 319.449 0.701 20 30 DCEDRP C=CCN1CC[C@]2(CCCN2C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001273863722 948640569 /nfs/dbraw/zinc/64/05/69/948640569.db2.gz MTZLCLMYNZAVQU-RHSMWYFYSA-N 2 0 309.454 0.988 20 30 DCEDRP C=C(C)CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001273903877 948671145 /nfs/dbraw/zinc/67/11/45/948671145.db2.gz RJRHCMVFAJYMDQ-WBVHZDCISA-N 2 0 309.454 0.990 20 30 DCEDRP C=C(C)CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001273903876 948671638 /nfs/dbraw/zinc/67/16/38/948671638.db2.gz RJRHCMVFAJYMDQ-NVXWUHKLSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001328186274 948736591 /nfs/dbraw/zinc/73/65/91/948736591.db2.gz NEZQGOWDFIRFLR-MRXNPFEDSA-N 2 0 321.465 0.685 20 30 DCEDRP C=CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001264633076 949040470 /nfs/dbraw/zinc/04/04/70/949040470.db2.gz VARQYXACFVTPKK-CVEARBPZSA-N 2 0 309.454 0.942 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001488847189 949251367 /nfs/dbraw/zinc/25/13/67/949251367.db2.gz SEIRLQDGKKOHEO-JYJNAYRXSA-N 2 0 307.438 0.605 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001488916420 949337274 /nfs/dbraw/zinc/33/72/74/949337274.db2.gz UWPHJKSZQJRCTQ-JKSUJKDBSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1COCCN1C1CCCC1 ZINC001329514620 949651695 /nfs/dbraw/zinc/65/16/95/949651695.db2.gz FREBJLFATYSASV-GOEBONIOSA-N 2 0 307.438 0.700 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2)C1=O ZINC001265484953 949720456 /nfs/dbraw/zinc/72/04/56/949720456.db2.gz SSKOFGMPWNVABA-ZQDZILKHSA-N 2 0 322.453 0.350 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC#CCOC ZINC001266148881 950420032 /nfs/dbraw/zinc/42/00/32/950420032.db2.gz JWNNLKTVVSUDPG-JKSUJKDBSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCN1CC[NH+](CCCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001490474422 950717168 /nfs/dbraw/zinc/71/71/68/950717168.db2.gz CCSYDCMLCYMBEX-UHFFFAOYSA-N 2 0 306.454 0.392 20 30 DCEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001280584865 950968729 /nfs/dbraw/zinc/96/87/29/950968729.db2.gz USURTEFBQUOQTP-CVEARBPZSA-N 2 0 307.438 0.721 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001331156327 950972799 /nfs/dbraw/zinc/97/27/99/950972799.db2.gz VSHPQPRMRPJCKV-TZMCWYRMSA-N 2 0 308.426 0.139 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CCO1 ZINC001280600336 950975295 /nfs/dbraw/zinc/97/52/95/950975295.db2.gz GQFUFDUIIKWHTI-HZPDHXFCSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CCO1 ZINC001280600334 950976772 /nfs/dbraw/zinc/97/67/72/950976772.db2.gz GQFUFDUIIKWHTI-HOTGVXAUSA-N 2 0 307.438 0.557 20 30 DCEDRP CC#CC[NH2+][C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC001274197364 951476096 /nfs/dbraw/zinc/47/60/96/951476096.db2.gz GVOWNJBKOUKOQS-HOCLYGCPSA-N 2 0 317.437 0.518 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001281460243 951510151 /nfs/dbraw/zinc/51/01/51/951510151.db2.gz XETJUYKOLJPMBL-CVEARBPZSA-N 2 0 309.454 0.805 20 30 DCEDRP C=C[C@](C)(O)C[NH+]1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001274614869 951738778 /nfs/dbraw/zinc/73/87/78/951738778.db2.gz NDPRHJBFUFNXGF-HOCLYGCPSA-N 2 0 309.454 0.703 20 30 DCEDRP C=CCN1CC[C@@]2(CC[N@@H+](C[C@H](O)C[NH+](CC)CC)C2)C1=O ZINC001274656836 951767774 /nfs/dbraw/zinc/76/77/74/951767774.db2.gz RXIRKXZMHYXSOA-NVXWUHKLSA-N 2 0 309.454 0.800 20 30 DCEDRP C#CC[NH2+]CCCOC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001276159059 952954093 /nfs/dbraw/zinc/95/40/93/952954093.db2.gz SHNOYOBELSVVJX-MRXNPFEDSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001490852480 953124109 /nfs/dbraw/zinc/12/41/09/953124109.db2.gz ISTAGNQDPHJXNR-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001342564066 953295698 /nfs/dbraw/zinc/29/56/98/953295698.db2.gz FBBWXHWMOXLMPT-LRDDRELGSA-N 2 0 303.410 0.667 20 30 DCEDRP C=CC[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001283802669 954618687 /nfs/dbraw/zinc/61/86/87/954618687.db2.gz BLLVPYMMZMGUAT-ZACQAIPSSA-N 2 0 317.433 0.585 20 30 DCEDRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001352850915 955793924 /nfs/dbraw/zinc/79/39/24/955793924.db2.gz ZGMAXZLDZFMCCO-CQSZACIVSA-N 2 0 308.426 0.721 20 30 DCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001352849772 955794414 /nfs/dbraw/zinc/79/44/14/955794414.db2.gz MHGLVGXKEBYKSX-AXFHLTTASA-N 2 0 306.332 0.993 20 30 DCEDRP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]CC#CC[NH+](C)C)c1 ZINC001356596782 956903991 /nfs/dbraw/zinc/90/39/91/956903991.db2.gz QVDABURMQMRLFA-INIZCTEOSA-N 2 0 304.390 0.784 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001374624635 965656677 /nfs/dbraw/zinc/65/66/77/965656677.db2.gz OVVPLTBPSACXDG-KBPBESRZSA-N 2 0 317.861 0.926 20 30 DCEDRP C=CC[N@@H+](C)CCN(CC)C(=O)CCN1CC[NH+](CC)CC1 ZINC001448885490 1014082932 /nfs/dbraw/zinc/08/29/32/1014082932.db2.gz XMCCWRCVPKVJOX-UHFFFAOYSA-N 2 0 310.486 0.980 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCOCC1 ZINC001502642333 1016011210 /nfs/dbraw/zinc/01/12/10/1016011210.db2.gz VUNCWUURDMWGBD-JKSUJKDBSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCOCC1 ZINC001502642330 1016011784 /nfs/dbraw/zinc/01/17/84/1016011784.db2.gz VUNCWUURDMWGBD-CVEARBPZSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001502720942 1016039911 /nfs/dbraw/zinc/03/99/11/1016039911.db2.gz KMISCQDHHDWVSS-ZFWWWQNUSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001502883817 1016116740 /nfs/dbraw/zinc/11/67/40/1016116740.db2.gz YTDKGONQGSYOLB-HOTGVXAUSA-N 2 0 321.465 0.683 20 30 DCEDRP N#Cc1cccc(C[NH2+]C[C@@H](O)CNC(=O)C[NH+]2CCCC2)c1 ZINC001420192778 1002011539 /nfs/dbraw/zinc/01/15/39/1002011539.db2.gz RICODOOZABOEGQ-MRXNPFEDSA-N 2 0 316.405 0.221 20 30 DCEDRP C#CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001506843458 1017605426 /nfs/dbraw/zinc/60/54/26/1017605426.db2.gz LFXSKMZRBUDELU-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001506847675 1017610278 /nfs/dbraw/zinc/61/02/78/1017610278.db2.gz QCYKSMFTAMWIGH-HZPDHXFCSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001506850833 1017611258 /nfs/dbraw/zinc/61/12/58/1017611258.db2.gz FWSBTAOKGDTHPZ-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCNC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001479778085 1017740239 /nfs/dbraw/zinc/74/02/39/1017740239.db2.gz LSSRPYAOEFGELF-AWEZNQCLSA-N 2 0 310.442 0.211 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001497078645 1017827768 /nfs/dbraw/zinc/82/77/68/1017827768.db2.gz ZGXUGCUBPBFTQA-MRXNPFEDSA-N 2 0 303.406 0.452 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCOCC1 ZINC001500589999 1018502755 /nfs/dbraw/zinc/50/27/55/1018502755.db2.gz XGYYXBLXGOGZCT-UHFFFAOYSA-N 2 0 321.465 0.997 20 30 DCEDRP C=CCC[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001500763533 1018641366 /nfs/dbraw/zinc/64/13/66/1018641366.db2.gz VKHGTVHDIBTJEG-RDJZCZTQSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCOCC[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C1 ZINC001501243221 1018983991 /nfs/dbraw/zinc/98/39/91/1018983991.db2.gz WTLPAULNTDWOLX-IYBDPMFKSA-N 2 0 309.454 0.919 20 30 DCEDRP COCC#CC[NH2+]C[C@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001496300376 1019228137 /nfs/dbraw/zinc/22/81/37/1019228137.db2.gz MPNUETPUKZHZSS-INIZCTEOSA-N 2 0 321.465 0.853 20 30 DCEDRP CN1CC[NH+]=C1NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000262667834 529779088 /nfs/dbraw/zinc/77/90/88/529779088.db2.gz POYQBPCUHAMCMF-UHFFFAOYSA-N 2 0 301.438 0.825 20 30 DCEDRP COC[C@@H](C)NC(=[NH2+])NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270546640 238276383 /nfs/dbraw/zinc/27/63/83/238276383.db2.gz FANCBBQXJOJIHS-GFCCVEGCSA-N 2 0 309.414 0.461 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](CO)C[NH+]2CCCCC2)CC1 ZINC000491070822 533147829 /nfs/dbraw/zinc/14/78/29/533147829.db2.gz FYRLCNAOJVGTHR-INIZCTEOSA-N 2 0 307.438 0.295 20 30 DCEDRP C[C@@H](C#N)S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000352409468 415165781 /nfs/dbraw/zinc/16/57/81/415165781.db2.gz ZXDIOSSFKQHYMO-ZDUSSCGKSA-N 2 0 304.460 0.434 20 30 DCEDRP CCN(CC)C(=[NH2+])NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000104159421 415624123 /nfs/dbraw/zinc/62/41/23/415624123.db2.gz HWYGREPQUVOBJS-UHFFFAOYSA-N 2 0 304.442 0.990 20 30 DCEDRP C=CCN1CC[C@H]([NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C1=O ZINC000333854756 415752361 /nfs/dbraw/zinc/75/23/61/415752361.db2.gz OHHHVQDLLIFUAI-OWCLPIDISA-N 2 0 307.438 0.992 20 30 DCEDRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000329174002 416154998 /nfs/dbraw/zinc/15/49/98/416154998.db2.gz LROYSCGHOYHCSH-BZUAXINKSA-N 2 0 323.485 0.753 20 30 DCEDRP O[C@@H]1CC[C@@H]2C[NH+](CC#CC[N@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)C[C@@H]12 ZINC000341913412 416251079 /nfs/dbraw/zinc/25/10/79/416251079.db2.gz RYYXXIMSYZKXOB-COYYTBTLSA-N 2 0 304.434 0.395 20 30 DCEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N[C@@H](C)c1ccc(C)o1 ZINC000262758479 416337264 /nfs/dbraw/zinc/33/72/64/416337264.db2.gz CHORPDBWNOCCFI-KBPBESRZSA-N 2 0 305.426 0.814 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000419722063 416405890 /nfs/dbraw/zinc/40/58/90/416405890.db2.gz DCHHIKABMVZTKQ-CQSZACIVSA-N 2 0 310.442 0.243 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)CC1 ZINC000491516486 416604373 /nfs/dbraw/zinc/60/43/73/416604373.db2.gz UMCBPVGLEANIKW-HIFRSBDPSA-N 2 0 311.376 0.741 20 30 DCEDRP C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000491166607 416589392 /nfs/dbraw/zinc/58/93/92/416589392.db2.gz SSGAGFBTHXSOIT-UHFFFAOYSA-N 2 0 323.462 0.982 20 30 DCEDRP C=CC[C@]1(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CCC[NH2+]1 ZINC000662783226 417901519 /nfs/dbraw/zinc/90/15/19/417901519.db2.gz CSDVWDGDFRTDBY-RHSMWYFYSA-N 2 0 307.438 0.899 20 30 DCEDRP C=CC[C@@]1(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)CCC[NH2+]1 ZINC000662815438 417914305 /nfs/dbraw/zinc/91/43/05/417914305.db2.gz UFLPGNYBDMYDRR-HOCLYGCPSA-N 2 0 318.425 0.599 20 30 DCEDRP C[C@H]1C[N@H+](CC#CC[NH+]2C[C@@H](C)[C@@](C)(CO)C2)C[C@@]1(C)CO ZINC000662142641 418383570 /nfs/dbraw/zinc/38/35/70/418383570.db2.gz JHRMPSVVJIFSBL-USTZCAOPSA-N 2 0 308.466 0.890 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662449072 418410728 /nfs/dbraw/zinc/41/07/28/418410728.db2.gz UOXUDSZXQDVQMJ-UHFFFAOYSA-N 2 0 318.425 0.583 20 30 DCEDRP CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH+]2C)CC[N@@H+]1C[C@@H](C)O ZINC000329574394 280339856 /nfs/dbraw/zinc/33/98/56/280339856.db2.gz RQHDPMVBFQDDAB-KFWWJZLASA-N 2 0 312.458 0.772 20 30 DCEDRP COc1cc[nH+]c(N2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)c1 ZINC000424158125 337784753 /nfs/dbraw/zinc/78/47/53/337784753.db2.gz QNHGSDLBHPFHAK-CQSZACIVSA-N 2 0 317.393 0.760 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](CC#CCOC)C1 ZINC001569651780 1161180122 /nfs/dbraw/zinc/18/01/22/1161180122.db2.gz VYDIDJBGPGESHD-KRWDZBQOSA-N 2 0 309.454 0.949 20 30 DCEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N(C)CCC1CCOCC1 ZINC000261982031 526373056 /nfs/dbraw/zinc/37/30/56/526373056.db2.gz PBWSVNWBWWBDFA-MRXNPFEDSA-N 2 0 323.485 0.310 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000364334947 526434541 /nfs/dbraw/zinc/43/45/41/526434541.db2.gz DHARWPLTODEBRV-JKSUJKDBSA-N 2 0 322.453 0.799 20 30 DCEDRP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1=O ZINC000366851486 526482354 /nfs/dbraw/zinc/48/23/54/526482354.db2.gz NKHFALHADOBSDX-IAGOWNOFSA-N 2 0 320.481 0.874 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)c1ccccc1 ZINC000264094672 529071779 /nfs/dbraw/zinc/07/17/79/529071779.db2.gz LPIQHZLDCHNFMA-OAHLLOKOSA-N 2 0 317.437 0.805 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN(CC)CCO3)[C@@H]2C1 ZINC000979071037 660658105 /nfs/dbraw/zinc/65/81/05/660658105.db2.gz KEENDGPGETWWAN-JONQDZQNSA-N 2 0 305.422 0.024 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891921801 657917242 /nfs/dbraw/zinc/91/72/42/657917242.db2.gz VXNNINGXZGAWMY-UHFFFAOYSA-N 2 0 321.450 0.625 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](CCOC)C2)CC1 ZINC000970919818 658080862 /nfs/dbraw/zinc/08/08/62/658080862.db2.gz GVCKFYITRRIEGK-AWEZNQCLSA-N 2 0 307.438 0.415 20 30 DCEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022122205 658878882 /nfs/dbraw/zinc/87/88/82/658878882.db2.gz RAIVTHTYOWBEEX-RQJABVFESA-N 2 0 313.829 0.839 20 30 DCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000999351170 665634096 /nfs/dbraw/zinc/63/40/96/665634096.db2.gz DDERXRXLRFKJRI-RDJZCZTQSA-N 2 0 319.449 0.844 20 30 DCEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001027498916 659628938 /nfs/dbraw/zinc/62/89/38/659628938.db2.gz QIMYGYNQSWIXFF-NDUQDZPOSA-N 2 0 319.449 0.958 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001028643499 661716054 /nfs/dbraw/zinc/71/60/54/661716054.db2.gz OVLPZKFGUPNOQW-LSDHHAIUSA-N 2 0 300.406 0.907 20 30 DCEDRP C#CCC[NH+]1CCC(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000896520431 662279634 /nfs/dbraw/zinc/27/96/34/662279634.db2.gz KRIFAAQFZHQBEA-INIZCTEOSA-N 2 0 305.422 0.311 20 30 DCEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@@H]1C ZINC000986300236 662581131 /nfs/dbraw/zinc/58/11/31/662581131.db2.gz QXWNVFMQTDJHGR-KGLIPLIRSA-N 2 0 305.426 0.823 20 30 DCEDRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C1 ZINC000902358485 663410626 /nfs/dbraw/zinc/41/06/26/663410626.db2.gz CSIOIGUDSQABJV-DKASORFFSA-N 2 0 306.410 0.881 20 30 DCEDRP C=CCNC(=O)CN1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903878032 663491845 /nfs/dbraw/zinc/49/18/45/663491845.db2.gz DOZUFWXPMPAHDO-MQVJKMGUSA-N 2 0 306.454 0.437 20 30 DCEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991357390 664120377 /nfs/dbraw/zinc/12/03/77/664120377.db2.gz FGZCHMLFOPMTRF-YFHUEUNASA-N 2 0 319.449 0.842 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2[N@H+](CCO)CC3)CC1 ZINC000992513160 664730507 /nfs/dbraw/zinc/73/05/07/664730507.db2.gz VPXBUQMQMBUEKV-SJLPKXTDSA-N 2 0 319.449 0.437 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC001032837234 666289118 /nfs/dbraw/zinc/28/91/18/666289118.db2.gz YAUDBPUDVOSCEK-BBWFWOEESA-N 2 0 319.449 0.701 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@H](CC)OC)C1 ZINC001032837156 666289180 /nfs/dbraw/zinc/28/91/80/666289180.db2.gz RMBXCZHMNZKPSD-PMPSAXMXSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](C[C@@H](C)OC)C2)CC1 ZINC001032207471 666452508 /nfs/dbraw/zinc/45/25/08/666452508.db2.gz RYZGMEYSRGUMJW-CQSZACIVSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC#C)C[C@@H]2C)CC1 ZINC000945184204 666580604 /nfs/dbraw/zinc/58/06/04/666580604.db2.gz VNFOIZLXVAXIOP-RDJZCZTQSA-N 2 0 301.434 0.791 20 30 DCEDRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C[NH+](C)C ZINC000866040803 667361729 /nfs/dbraw/zinc/36/17/29/667361729.db2.gz ILUQORDHQPLAQB-ZIAGYGMSSA-N 2 0 303.410 0.698 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCCS(C)(=O)=O ZINC000187054385 667456329 /nfs/dbraw/zinc/45/63/29/667456329.db2.gz FEIHSFASYUJUDU-CYBMUJFWSA-N 2 0 318.487 0.590 20 30 DCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CC[N@H+](CC3CC3)C1)C2 ZINC000884213030 667500757 /nfs/dbraw/zinc/50/07/57/667500757.db2.gz RUQLJGLTJGXACQ-KRIMKBQASA-N 2 0 302.422 0.726 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884249803 667508922 /nfs/dbraw/zinc/50/89/22/667508922.db2.gz RQRQTTRTCNVADU-JLLWLGSASA-N 2 0 323.194 0.677 20 30 DCEDRP C[C@@H]1C[C@H](C)N(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@H]1C[NH3+] ZINC000884348062 667529093 /nfs/dbraw/zinc/52/90/93/667529093.db2.gz MUCOGTKTYFQQGN-CVZHDLGWSA-N 2 0 304.438 0.958 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923454159 667537132 /nfs/dbraw/zinc/53/71/32/667537132.db2.gz OUXJUBASBDKCKR-CHWSQXEVSA-N 2 0 324.425 0.217 20 30 DCEDRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(C#N)cn2)C[C@H]1C[NH+](C)C ZINC000870021742 667698871 /nfs/dbraw/zinc/69/88/71/667698871.db2.gz JTYBWMREOUUNFA-HUUCEWRRSA-N 2 0 315.421 0.765 20 30 DCEDRP C#CCSCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000741090305 667758810 /nfs/dbraw/zinc/75/88/10/667758810.db2.gz PLQYXIIYUGVVJN-UHFFFAOYSA-N 2 0 300.472 0.488 20 30 DCEDRP C#CCCCS(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000805066200 668047320 /nfs/dbraw/zinc/04/73/20/668047320.db2.gz IMHCKZGVEAQNBZ-UHFFFAOYSA-N 2 0 315.483 0.687 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000876764904 668505270 /nfs/dbraw/zinc/50/52/70/668505270.db2.gz PEAIPHCZCYRZPO-GXTWGEPZSA-N 2 0 314.861 0.741 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000876764913 668505950 /nfs/dbraw/zinc/50/59/50/668505950.db2.gz PEAIPHCZCYRZPO-TZMCWYRMSA-N 2 0 314.861 0.741 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000876782965 668510736 /nfs/dbraw/zinc/51/07/36/668510736.db2.gz XBYCSKJUBJOBNJ-DGCLKSJQSA-N 2 0 302.850 0.456 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000877199260 668574715 /nfs/dbraw/zinc/57/47/15/668574715.db2.gz KOLZDUVSIQRZCB-UHFFFAOYSA-N 3 0 313.405 0.433 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC000948069313 670053640 /nfs/dbraw/zinc/05/36/40/670053640.db2.gz FTVCLKOVECHDJY-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)CCO2 ZINC000949189331 670283783 /nfs/dbraw/zinc/28/37/83/670283783.db2.gz QFZZLSCFWWPHPF-HOTGVXAUSA-N 2 0 319.449 0.511 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)N1CCOCC1 ZINC000303772286 685206469 /nfs/dbraw/zinc/20/64/69/685206469.db2.gz DLSFWKLWPZOASH-CQSZACIVSA-N 2 0 311.474 0.486 20 30 DCEDRP CCC[N@@H+]1CC[C@H](CNC(NCCN2CCOCC2)=[NH+]C)C1 ZINC000303886293 685207891 /nfs/dbraw/zinc/20/78/91/685207891.db2.gz NPYNUOVWSDSNCU-OAHLLOKOSA-N 2 0 311.474 0.216 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOC[C@H]1CCOC1 ZINC000304761832 685212324 /nfs/dbraw/zinc/21/23/24/685212324.db2.gz UYSGLZSNGIUSKL-CABCVRRESA-N 2 0 312.458 0.818 20 30 DCEDRP C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000958118002 687358448 /nfs/dbraw/zinc/35/84/48/687358448.db2.gz YAFJZWYHZMURFE-KBPBESRZSA-N 2 0 321.446 0.465 20 30 DCEDRP CC#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC000958344425 687562925 /nfs/dbraw/zinc/56/29/25/687562925.db2.gz HLGDLNMCULLROT-GJZGRUSLSA-N 2 0 319.405 0.387 20 30 DCEDRP C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000958581157 687769672 /nfs/dbraw/zinc/76/96/72/687769672.db2.gz MVKOECVUYFGVGL-SJORKVTESA-N 2 0 319.449 0.151 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CC3CC3)C[C@H]2O)CC1 ZINC000958724795 687878501 /nfs/dbraw/zinc/87/85/01/687878501.db2.gz STJVNLSQPMSUOF-DLBZAZTESA-N 2 0 319.449 0.151 20 30 DCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000959948455 688267104 /nfs/dbraw/zinc/26/71/04/688267104.db2.gz BRFKPMLNFLUORE-FOLVSLTJSA-N 2 0 315.421 0.128 20 30 DCEDRP C=CCC[N@H+]1CC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001038810591 694199250 /nfs/dbraw/zinc/19/92/50/694199250.db2.gz PYQBCPGXSARJMW-HNNXBMFYSA-N 2 0 305.426 0.825 20 30 DCEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000962013297 688789416 /nfs/dbraw/zinc/78/94/16/688789416.db2.gz UQVHJGCNCGKSME-ZSHCYNCHSA-N 2 0 317.437 0.681 20 30 DCEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000962018942 688790411 /nfs/dbraw/zinc/79/04/11/688790411.db2.gz SFYMJSUOBHTHEE-FICVDOATSA-N 2 0 303.410 0.291 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCO ZINC000968894040 690416485 /nfs/dbraw/zinc/41/64/85/690416485.db2.gz YQLADLVUHPHAKV-CVEARBPZSA-N 2 0 307.438 0.437 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015322178 692263751 /nfs/dbraw/zinc/26/37/51/692263751.db2.gz ASEIBMLGLCKLMY-GYMHETDLSA-N 2 0 305.422 0.616 20 30 DCEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001016627077 692734963 /nfs/dbraw/zinc/73/49/63/692734963.db2.gz IYUQZXCUKPOTBF-HZPDHXFCSA-N 2 0 301.434 0.932 20 30 DCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001073433984 694726610 /nfs/dbraw/zinc/72/66/10/694726610.db2.gz YQQLIQUBFXXMBP-INIZCTEOSA-N 2 0 319.449 0.512 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1OCC ZINC001691743413 1159027213 /nfs/dbraw/zinc/02/72/13/1159027213.db2.gz GUBLICDYLZFRDW-BZUAXINKSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001570548009 1162541371 /nfs/dbraw/zinc/54/13/71/1162541371.db2.gz JPEBGRWNFWSQKA-INIZCTEOSA-N 2 0 309.454 0.899 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001570957054 1162654789 /nfs/dbraw/zinc/65/47/89/1162654789.db2.gz FBOFKEPNMVCZGM-PHZGNYQRSA-N 2 0 317.433 0.026 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]C[C@H](C)CC)CC1 ZINC001571448337 1162763244 /nfs/dbraw/zinc/76/32/44/1162763244.db2.gz SSYJKGCYZZMCGJ-GDBMZVCRSA-N 2 0 309.454 0.444 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001691170632 1157604170 /nfs/dbraw/zinc/60/41/70/1157604170.db2.gz DSBXZLXJWPXIDD-CVEARBPZSA-N 2 0 307.438 0.416 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001691170445 1157604406 /nfs/dbraw/zinc/60/44/06/1157604406.db2.gz BSQWKZOKYWJHHH-HZPDHXFCSA-N 2 0 307.438 0.416 20 30 DCEDRP COCC#CC[N@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001571700554 1162910997 /nfs/dbraw/zinc/91/09/97/1162910997.db2.gz GVHJTIVGNXSCFY-UHFFFAOYSA-N 2 0 307.438 0.725 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1OCC ZINC001565949226 1159928971 /nfs/dbraw/zinc/92/89/71/1159928971.db2.gz ZPAPWFXMACSNNS-HUUCEWRRSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H](CC)[NH+](C)C)n1 ZINC001565992553 1159941037 /nfs/dbraw/zinc/94/10/37/1159941037.db2.gz JPECFKMIQSETIP-ZDUSSCGKSA-N 2 0 319.409 0.252 20 30 DCEDRP CC#CCN1CC[NH+](CCCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001566646280 1160109568 /nfs/dbraw/zinc/10/95/68/1160109568.db2.gz QTEARZZMVNCFEO-UHFFFAOYSA-N 2 0 308.470 0.474 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001566896126 1160178959 /nfs/dbraw/zinc/17/89/59/1160178959.db2.gz WQCNGJQYIYRPMQ-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001566905289 1160181521 /nfs/dbraw/zinc/18/15/21/1160181521.db2.gz OVYCKPTZFOJESN-DLBZAZTESA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001568535449 1160671844 /nfs/dbraw/zinc/67/18/44/1160671844.db2.gz DVDOCBGEHHNEAF-HOTGVXAUSA-N 2 0 321.465 0.853 20 30 DCEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001569759945 1161231000 /nfs/dbraw/zinc/23/10/00/1161231000.db2.gz PWJUTAPTPUTAFV-AEFFLSMTSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001569811282 1161259721 /nfs/dbraw/zinc/25/97/21/1161259721.db2.gz OOYQWWWAJQCYKH-LSDHHAIUSA-N 2 0 317.437 0.518 20 30 DCEDRP COCC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001570055184 1161394635 /nfs/dbraw/zinc/39/46/35/1161394635.db2.gz RHPJUDMXYNCFRP-MRXNPFEDSA-N 2 0 319.449 0.655 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001646799700 1172539465 /nfs/dbraw/zinc/53/94/65/1172539465.db2.gz WVHUQRWUITWLRF-RYUDHWBXSA-N 2 0 301.818 0.813 20 30 DCEDRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)[C@@H]2C1 ZINC001646841589 1172559988 /nfs/dbraw/zinc/55/99/88/1172559988.db2.gz QWWNNMIKYVYOSB-NWTDKLEGSA-N 2 0 302.422 0.582 20 30 DCEDRP C=CCC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001656772016 1173880817 /nfs/dbraw/zinc/88/08/17/1173880817.db2.gz RDERYDCUIYJKEB-HOTGVXAUSA-N 2 0 309.454 0.942 20 30 DCEDRP C#CCC[NH2+][C@@H](CNC(=O)C1CC[NH+](CC#C)CC1)C1CC1 ZINC001661192652 1174105333 /nfs/dbraw/zinc/10/53/33/1174105333.db2.gz HPESQUUBLICTAB-KRWDZBQOSA-N 2 0 301.434 0.839 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001662696099 1174232840 /nfs/dbraw/zinc/23/28/40/1174232840.db2.gz QVXWUSZWBDHIBK-AWEZNQCLSA-N 2 0 303.410 0.130 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001665687134 1174551780 /nfs/dbraw/zinc/55/17/80/1174551780.db2.gz XNJHALMVTWCATK-JKSUJKDBSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001666306107 1174597430 /nfs/dbraw/zinc/59/74/30/1174597430.db2.gz ABLIPYWBAILFDT-RBSFLKMASA-N 2 0 322.453 0.093 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCOC)CC1 ZINC001667769733 1174709801 /nfs/dbraw/zinc/70/98/01/1174709801.db2.gz IJRKLQZFQBNEKB-IAGOWNOFSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001667893206 1174730412 /nfs/dbraw/zinc/73/04/12/1174730412.db2.gz DGTCWFRKTWJSIW-ZACQAIPSSA-N 2 0 315.417 0.032 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CCC(=C)C)CC1 ZINC001667939092 1174736335 /nfs/dbraw/zinc/73/63/35/1174736335.db2.gz CPMXOJKAIJJNHR-MRXNPFEDSA-N 2 0 307.438 0.365 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]C[C@@H](F)CC)CC1 ZINC001667939508 1174736736 /nfs/dbraw/zinc/73/67/36/1174736736.db2.gz LXWZVFQAGSXTJR-LSDHHAIUSA-N 2 0 313.417 0.146 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001668122849 1174761191 /nfs/dbraw/zinc/76/11/91/1174761191.db2.gz TXEICUAKJNTHKU-AWEZNQCLSA-N 2 0 322.453 0.401 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001669020474 1174877770 /nfs/dbraw/zinc/87/77/70/1174877770.db2.gz CGGKZWBSQDXEDS-GEXIGZQTSA-N 2 0 322.453 0.281 20 30 DCEDRP COCC#CC[NH2+]CC1CC(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001674612007 1175286006 /nfs/dbraw/zinc/28/60/06/1175286006.db2.gz MMBLKFSQLQGPON-UHFFFAOYSA-N 2 0 321.465 0.997 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CC2(C1)CCC[NH+](CC#CCOC)C2 ZINC001675678042 1175385848 /nfs/dbraw/zinc/38/58/48/1175385848.db2.gz NKSCYKMUJSZHNF-UHFFFAOYSA-N 2 0 321.465 0.902 20 30 DCEDRP CCN1CC[NH+](CCCCNC(=O)NCC#CC[NH+](C)C)CC1 ZINC001675817435 1175393083 /nfs/dbraw/zinc/39/30/83/1175393083.db2.gz DZOIQUVICPFODJ-UHFFFAOYSA-N 2 0 323.485 0.268 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001677096403 1175525761 /nfs/dbraw/zinc/52/57/61/1175525761.db2.gz WWIAPBZMXVRFFZ-JKSUJKDBSA-N 2 0 309.454 0.539 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[N@H+](C)CC2CC2)CC1 ZINC001677185401 1175546182 /nfs/dbraw/zinc/54/61/82/1175546182.db2.gz YXYFXTKYZYXYMJ-QGZVFWFLSA-N 2 0 321.465 0.493 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CCOCC)CC1 ZINC001688896651 1176649779 /nfs/dbraw/zinc/64/97/79/1176649779.db2.gz HUIJWVGDRWCCEI-QGZVFWFLSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[NH+]2CCCC2)n1 ZINC001689142136 1176708707 /nfs/dbraw/zinc/70/87/07/1176708707.db2.gz JSFKMSZOKFJRHS-UHFFFAOYSA-N 2 0 317.393 0.007 20 30 DCEDRP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001689203809 1176739364 /nfs/dbraw/zinc/73/93/64/1176739364.db2.gz BRWJFWQLFONHCP-QGZVFWFLSA-N 2 0 321.465 0.779 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001690421541 1177240093 /nfs/dbraw/zinc/24/00/93/1177240093.db2.gz RXTIEKMGMIVOAR-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001690664956 1177298876 /nfs/dbraw/zinc/29/88/76/1177298876.db2.gz JYUHTBPMLPIUOE-AWEZNQCLSA-N 2 0 305.426 0.825 20 30 DCEDRP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001691989804 1177400057 /nfs/dbraw/zinc/40/00/57/1177400057.db2.gz OBAJAYFVHQQWKL-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001692030242 1177406333 /nfs/dbraw/zinc/40/63/33/1177406333.db2.gz HYBKZHZWPWDKLO-KRWDZBQOSA-N 2 0 321.465 0.758 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001692131578 1177421859 /nfs/dbraw/zinc/42/18/59/1177421859.db2.gz DWFVXPZFOPHUQZ-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001698947522 1177732215 /nfs/dbraw/zinc/73/22/15/1177732215.db2.gz ASNLLZKEMGLHQD-CVEARBPZSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001699011922 1177769076 /nfs/dbraw/zinc/76/90/76/1177769076.db2.gz ATZMVRZHPUKUKQ-HOTGVXAUSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001699013812 1177771746 /nfs/dbraw/zinc/77/17/46/1177771746.db2.gz AMWQWMAZRAIJJO-JKSUJKDBSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001699047439 1177796803 /nfs/dbraw/zinc/79/68/03/1177796803.db2.gz LKHTWXRLFIGPOA-RDJZCZTQSA-N 2 0 321.465 0.731 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699260883 1178000477 /nfs/dbraw/zinc/00/04/77/1178000477.db2.gz MCHSMYBMRIWFBT-DWMWFBOSSA-N 2 0 322.453 0.279 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001699422972 1178130974 /nfs/dbraw/zinc/13/09/74/1178130974.db2.gz GMXVRUBSOXEIAH-ZDUSSCGKSA-N 2 0 310.442 0.115 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001699590855 1178208400 /nfs/dbraw/zinc/20/84/00/1178208400.db2.gz WWLSHNXODIWGRX-GOEBONIOSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCOC(C)C)CC1 ZINC001699643419 1178235235 /nfs/dbraw/zinc/23/52/35/1178235235.db2.gz YIJURTFAFOILHT-KRWDZBQOSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001699654666 1178240424 /nfs/dbraw/zinc/24/04/24/1178240424.db2.gz CCBNDESYYIROAB-HZPDHXFCSA-N 2 0 319.449 0.892 20 30 DCEDRP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](C[C@H](C)O)CC1 ZINC001699781595 1178285411 /nfs/dbraw/zinc/28/54/11/1178285411.db2.gz YCYQMCUREVUJFJ-GOEBONIOSA-N 2 0 307.438 0.388 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CCOCC1 ZINC001699881244 1178328804 /nfs/dbraw/zinc/32/88/04/1178328804.db2.gz WIWPVCPQESBTJU-INIZCTEOSA-N 2 0 321.465 0.995 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCOCC1 ZINC001699884342 1178330865 /nfs/dbraw/zinc/33/08/65/1178330865.db2.gz HLXFXCOMCFLREN-HOTGVXAUSA-N 2 0 321.465 0.995 20 30 DCEDRP CC#CC[NH2+]CC1(NC(=O)C[NH+]2CCC(C)CC2)CCOCC1 ZINC001700251153 1178555231 /nfs/dbraw/zinc/55/52/31/1178555231.db2.gz XGUWPAFRKGQEFQ-UHFFFAOYSA-N 2 0 321.465 0.997 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001700289403 1178568752 /nfs/dbraw/zinc/56/87/52/1178568752.db2.gz KNHHTXBFGDDUCW-CQSZACIVSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001700308734 1178574993 /nfs/dbraw/zinc/57/49/93/1178574993.db2.gz VSYBFWCEVQISPI-MRXNPFEDSA-N 2 0 321.465 0.827 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001700595069 1178672032 /nfs/dbraw/zinc/67/20/32/1178672032.db2.gz FJLHXLSHFKZHPW-PHZGNYQRSA-N 2 0 305.422 0.026 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001700638299 1178686801 /nfs/dbraw/zinc/68/68/01/1178686801.db2.gz ACTBJFBKMMSUNE-KKUMJFAQSA-N 2 0 322.453 0.257 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001700731297 1178724131 /nfs/dbraw/zinc/72/41/31/1178724131.db2.gz URFHJULRZRQFKZ-KRWDZBQOSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001700843126 1178775535 /nfs/dbraw/zinc/77/55/35/1178775535.db2.gz SWEVRRARRVRFIQ-DZGCQCFKSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[NH2+]CCCF)CC1 ZINC001700976903 1178856736 /nfs/dbraw/zinc/85/67/36/1178856736.db2.gz GXUHVUYLCRHYBG-OAHLLOKOSA-N 2 0 313.417 0.100 20 30 DCEDRP COCC#CC[NH+]1CCC([C@H](C)NC(=O)C[NH+]2CCCC2)CC1 ZINC001701011367 1178871567 /nfs/dbraw/zinc/87/15/67/1178871567.db2.gz CMYLWCMWBYMHBS-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001707075617 1180410641 /nfs/dbraw/zinc/41/06/41/1180410641.db2.gz ICGVVKLGLABSKL-BYNSBNAKSA-N 2 0 322.453 0.113 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001707088212 1180415450 /nfs/dbraw/zinc/41/54/50/1180415450.db2.gz BXAFBMMHTVTUFJ-KKUMJFAQSA-N 2 0 322.453 0.115 20 30 DCEDRP C=CC[NH+](CCO)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001707213476 1180438174 /nfs/dbraw/zinc/43/81/74/1180438174.db2.gz PUAXWOPCPBRHQY-HOTGVXAUSA-N 2 0 309.454 0.800 20 30 DCEDRP C#CC[NH2+][C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)C1CC1 ZINC001713120262 1180688161 /nfs/dbraw/zinc/68/81/61/1180688161.db2.gz FXTHAEWWDTXOKX-OAHLLOKOSA-N 2 0 303.410 0.176 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001713245715 1180734888 /nfs/dbraw/zinc/73/48/88/1180734888.db2.gz GSBGQHUPMAXNIF-INIZCTEOSA-N 2 0 301.434 0.793 20 30 DCEDRP COCC#CC[NH2+]C1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001713288779 1180752807 /nfs/dbraw/zinc/75/28/07/1180752807.db2.gz GYNRZCJIKUITQD-UHFFFAOYSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001713517190 1180888692 /nfs/dbraw/zinc/88/86/92/1180888692.db2.gz FDFWGQWQFMOUPH-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP CC#CC[N@H+](CCC)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001713551900 1180917312 /nfs/dbraw/zinc/91/73/12/1180917312.db2.gz DWRMMSADBFJLBH-MRXNPFEDSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001713597848 1180954820 /nfs/dbraw/zinc/95/48/20/1180954820.db2.gz IEIXNTRLTLSNLN-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N(C)CCNCc1nccc(C)n1 ZINC001713601596 1180957954 /nfs/dbraw/zinc/95/79/54/1180957954.db2.gz DMEJRUXDOGHLEJ-HNNXBMFYSA-N 2 0 315.421 0.431 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N(C)CC[NH2+]CCOC1CCC1 ZINC001713602306 1180959280 /nfs/dbraw/zinc/95/92/80/1180959280.db2.gz XOLAGRAVEDEWOF-INIZCTEOSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001713939285 1181160940 /nfs/dbraw/zinc/16/09/40/1181160940.db2.gz DOUBTZBSNFOTFJ-JYJNAYRXSA-N 2 0 307.438 0.816 20 30 DCEDRP COCC#CCN1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001713940269 1181162886 /nfs/dbraw/zinc/16/28/86/1181162886.db2.gz BJGVXECJLJVIQA-HOTGVXAUSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001713961543 1181173708 /nfs/dbraw/zinc/17/37/08/1181173708.db2.gz YNGLOIJAXBVRQZ-SHTZXODSSA-N 2 0 322.453 0.257 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001714048202 1181224366 /nfs/dbraw/zinc/22/43/66/1181224366.db2.gz LKOBZJNJOSVYCG-OAHLLOKOSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001714814372 1181560503 /nfs/dbraw/zinc/56/05/03/1181560503.db2.gz JKKAJYYPPMEQNH-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[N@H+]1CC[C@H](N(CC)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001715042142 1181668486 /nfs/dbraw/zinc/66/84/86/1181668486.db2.gz HBOAXEHWYALVQT-HNNXBMFYSA-N 2 0 307.438 0.653 20 30 DCEDRP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001715189425 1181711850 /nfs/dbraw/zinc/71/18/50/1181711850.db2.gz GCUURTZIGXFCIF-ULQDDVLXSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCO)CCCC2)CC1 ZINC001715309055 1181768385 /nfs/dbraw/zinc/76/83/85/1181768385.db2.gz DTAOVSARYKPDGR-UHFFFAOYSA-N 2 0 307.438 0.343 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001716414855 1182381547 /nfs/dbraw/zinc/38/15/47/1182381547.db2.gz VTLSVCQQTCYGAQ-ZIAGYGMSSA-N 2 0 324.469 0.503 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001716975337 1182607861 /nfs/dbraw/zinc/60/78/61/1182607861.db2.gz LQYJDAIABVSJCY-LSDHHAIUSA-N 2 0 324.469 0.455 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001717202004 1182729763 /nfs/dbraw/zinc/72/97/63/1182729763.db2.gz MMGCJRHCGZDFSF-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH2+]CC1(NC(=O)[C@@H](C)Cc2c[nH]cn2)CCOCC1 ZINC001717267710 1182758046 /nfs/dbraw/zinc/75/80/46/1182758046.db2.gz XZRTZZXDBXDWJG-AWEZNQCLSA-N 2 0 318.421 0.867 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001717324119 1182782194 /nfs/dbraw/zinc/78/21/94/1182782194.db2.gz ZPUOJUKTULEKGV-JKSUJKDBSA-N 2 0 319.449 0.580 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001717415747 1182826687 /nfs/dbraw/zinc/82/66/87/1182826687.db2.gz LIFDFXULJQYJOO-KBPBESRZSA-N 2 0 322.453 0.400 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001717734865 1182973132 /nfs/dbraw/zinc/97/31/32/1182973132.db2.gz LOVULXPNGLBFOA-INIZCTEOSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001717734866 1182973357 /nfs/dbraw/zinc/97/33/57/1182973357.db2.gz LOVULXPNGLBFOA-MRXNPFEDSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001717821047 1183016954 /nfs/dbraw/zinc/01/69/54/1183016954.db2.gz ABRDJXPKNWZLPD-HOCLYGCPSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)CCO1 ZINC001724816381 1184572089 /nfs/dbraw/zinc/57/20/89/1184572089.db2.gz JROCATMGEZTHTJ-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001724818092 1184572830 /nfs/dbraw/zinc/57/28/30/1184572830.db2.gz WNCVPSBXTMTKDR-HNNXBMFYSA-N 2 0 305.422 0.455 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CCO1 ZINC001724827067 1184580029 /nfs/dbraw/zinc/58/00/29/1184580029.db2.gz PVGCVTSGYCASBQ-KRWDZBQOSA-N 2 0 315.417 0.812 20 30 DCEDRP COCC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001725147640 1184695819 /nfs/dbraw/zinc/69/58/19/1184695819.db2.gz NBXHPOZLLCWLIM-HNNXBMFYSA-N 2 0 309.454 0.662 20 30 DCEDRP CC#CC[NH2+][C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC1(C)C ZINC001725682797 1184938921 /nfs/dbraw/zinc/93/89/21/1184938921.db2.gz UOCVTKBLJPIALK-INIZCTEOSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001725704781 1184955549 /nfs/dbraw/zinc/95/55/49/1184955549.db2.gz KKFIQRHVJCDQPV-ZFWWWQNUSA-N 2 0 306.410 0.349 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C ZINC001725745069 1184980529 /nfs/dbraw/zinc/98/05/29/1184980529.db2.gz KLUPXFPGAJUTQL-KGLIPLIRSA-N 2 0 324.469 0.197 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001725764963 1184986431 /nfs/dbraw/zinc/98/64/31/1184986431.db2.gz CULPEQAHALQJAP-CVEARBPZSA-N 2 0 309.454 0.539 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001731446756 1185336645 /nfs/dbraw/zinc/33/66/45/1185336645.db2.gz HUWOYUPCXSAXNY-BRWVUGGUSA-N 2 0 321.465 0.993 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001731703775 1185449803 /nfs/dbraw/zinc/44/98/03/1185449803.db2.gz QJAXQAKUTMLHBS-HZPDHXFCSA-N 2 0 307.438 0.749 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001731973621 1185619379 /nfs/dbraw/zinc/61/93/79/1185619379.db2.gz GYRTVJGOGURLEO-LSDHHAIUSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001732667056 1185907594 /nfs/dbraw/zinc/90/75/94/1185907594.db2.gz NUWZWFNYNRWYAT-HZPDHXFCSA-N 2 0 309.454 0.587 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001732959152 1186080921 /nfs/dbraw/zinc/08/09/21/1186080921.db2.gz YXPPHGKCNOKGDC-KGLIPLIRSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](CCCO)CC1 ZINC001733370797 1186242971 /nfs/dbraw/zinc/24/29/71/1186242971.db2.gz DDYPGYIYACJOAI-INIZCTEOSA-N 2 0 309.454 0.635 20 30 DCEDRP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+]([C@H](C)COC)CC1 ZINC001733376079 1186246535 /nfs/dbraw/zinc/24/65/35/1186246535.db2.gz XXQCIJCNIWFDLW-HZPDHXFCSA-N 2 0 321.465 0.899 20 30 DCEDRP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001733491644 1186300187 /nfs/dbraw/zinc/30/01/87/1186300187.db2.gz GRFLZVMUNDAOMF-SJLPKXTDSA-N 2 0 315.417 0.476 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC001733721622 1186414441 /nfs/dbraw/zinc/41/44/41/1186414441.db2.gz HEQVXPVVTRARPW-HOTGVXAUSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001733916364 1186496572 /nfs/dbraw/zinc/49/65/72/1186496572.db2.gz QCRUEWUGGTYGTA-UHFFFAOYSA-N 2 0 323.481 0.931 20 30 DCEDRP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001734307495 1186610146 /nfs/dbraw/zinc/61/01/46/1186610146.db2.gz BBSUKJIXEXXNEV-RDJZCZTQSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001734417146 1186647725 /nfs/dbraw/zinc/64/77/25/1186647725.db2.gz POGWEXDMLCYDSE-UONOGXRCSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001734424899 1186649908 /nfs/dbraw/zinc/64/99/08/1186649908.db2.gz LUULYTIXZBOYNK-HOCLYGCPSA-N 2 0 317.437 0.661 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001734505374 1186667723 /nfs/dbraw/zinc/66/77/23/1186667723.db2.gz TUMNUIYLQSXFAY-ZIAGYGMSSA-N 2 0 322.453 0.067 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001734555994 1186690738 /nfs/dbraw/zinc/69/07/38/1186690738.db2.gz MJRUBUFNBMZFBX-KBPBESRZSA-N 2 0 324.469 0.503 20 30 DCEDRP C=CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001752382192 1188420103 /nfs/dbraw/zinc/42/01/03/1188420103.db2.gz ZBULYZJTAXYPBO-INIZCTEOSA-N 2 0 308.470 0.781 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001753137455 1188511922 /nfs/dbraw/zinc/51/19/22/1188511922.db2.gz KCLIZPIJQJJZIA-OAHLLOKOSA-N 2 0 305.422 0.170 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@H](C)[NH2+]CCO)C2)CC1 ZINC001753800974 1188656584 /nfs/dbraw/zinc/65/65/84/1188656584.db2.gz HYVHGLJLMLZHAI-DOTOQJQBSA-N 2 0 321.465 0.541 20 30 DCEDRP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CCO1 ZINC001755458404 1189117462 /nfs/dbraw/zinc/11/74/62/1189117462.db2.gz DJAZBZSVXKRJPG-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001755865816 1189239454 /nfs/dbraw/zinc/23/94/54/1189239454.db2.gz RYQBNIAFBZRXRU-UHFFFAOYSA-N 2 0 310.442 0.208 20 30 DCEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001098536430 747060904 /nfs/dbraw/zinc/06/09/04/747060904.db2.gz KPYWEAKJEYPQRI-UHFFFAOYSA-N 2 0 309.454 0.637 20 30 DCEDRP C=CCC[NH2+]Cc1cn(C2CN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001105372799 748640673 /nfs/dbraw/zinc/64/06/73/748640673.db2.gz XMCKDGDWWXQOIZ-UHFFFAOYSA-N 2 0 318.425 0.423 20 30 DCEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465778 749925028 /nfs/dbraw/zinc/92/50/28/749925028.db2.gz RQQDLOKCLYNMST-OAGGEKHMSA-N 2 0 307.438 0.456 20 30 DCEDRP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077128123 750215008 /nfs/dbraw/zinc/21/50/08/750215008.db2.gz YATFTGZAYSJMFJ-BZUAXINKSA-N 2 0 309.454 0.702 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001106145972 750984473 /nfs/dbraw/zinc/98/44/73/750984473.db2.gz MKAVACLMFSXOFF-HUUCEWRRSA-N 2 0 317.437 0.376 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001122536231 751089927 /nfs/dbraw/zinc/08/99/27/751089927.db2.gz VTCKULMTHRIHFD-JKSUJKDBSA-N 2 0 305.422 0.047 20 30 DCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001077777678 752521151 /nfs/dbraw/zinc/52/11/51/752521151.db2.gz WECNCRPHPXARKL-BZUAXINKSA-N 2 0 309.454 0.987 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001046037597 753440337 /nfs/dbraw/zinc/44/03/37/753440337.db2.gz UFYJFJBZUKLENV-SJORKVTESA-N 2 0 322.497 0.977 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001046062993 753456946 /nfs/dbraw/zinc/45/69/46/753456946.db2.gz KEQVIEOQIREKHB-CVEARBPZSA-N 2 0 308.470 0.731 20 30 DCEDRP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046501172 753753009 /nfs/dbraw/zinc/75/30/09/753753009.db2.gz LHOUKPOLQYOYEM-CQDXFGNVSA-N 2 0 317.433 0.454 20 30 DCEDRP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001047380881 754229134 /nfs/dbraw/zinc/22/91/34/754229134.db2.gz ZKFSQKJAOPMCSC-JYJNAYRXSA-N 2 0 309.454 0.939 20 30 DCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129219922 754570482 /nfs/dbraw/zinc/57/04/82/754570482.db2.gz OJDMKTPOAPNWNR-KGLIPLIRSA-N 2 0 306.414 0.147 20 30 DCEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049215424 755185926 /nfs/dbraw/zinc/18/59/26/755185926.db2.gz CZSSILBCMYLTMF-YESZJQIVSA-N 2 0 321.465 0.921 20 30 DCEDRP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN(C)CCO1 ZINC001049391476 755247870 /nfs/dbraw/zinc/24/78/70/755247870.db2.gz LSTWLAKMLLXAMA-XHSDSOJGSA-N 2 0 307.438 0.958 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001054654014 756600295 /nfs/dbraw/zinc/60/02/95/756600295.db2.gz GBUPNJLSRWMDNO-UKRRQHHQSA-N 2 0 303.410 0.128 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCC)C[C@H]2OC)CC1 ZINC001082383289 757089025 /nfs/dbraw/zinc/08/90/25/757089025.db2.gz PXICYKSNGDJFCB-IAGOWNOFSA-N 2 0 321.465 0.947 20 30 DCEDRP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001083182508 757561448 /nfs/dbraw/zinc/56/14/48/757561448.db2.gz HQPRAAGKTYAAMP-JKSUJKDBSA-N 2 0 307.438 0.816 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC=C)C[C@@H]2O)CC1 ZINC001084087816 757667478 /nfs/dbraw/zinc/66/74/78/757667478.db2.gz AVEWTKVILUUUJS-CVEARBPZSA-N 2 0 305.422 0.069 20 30 DCEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)CC1 ZINC001050525241 757795611 /nfs/dbraw/zinc/79/56/11/757795611.db2.gz DDRDDCPUPKUXHR-HOTGVXAUSA-N 2 0 319.449 0.960 20 30 DCEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532851 757897676 /nfs/dbraw/zinc/89/76/76/757897676.db2.gz RQBUUSWWILFPKP-DSZOFWSKSA-N 2 0 317.433 0.568 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CCOC)C[C@H]32)CC1 ZINC001084850137 758086213 /nfs/dbraw/zinc/08/62/13/758086213.db2.gz LTCSOBRRODLWQT-IAGOWNOFSA-N 2 0 319.449 0.511 20 30 DCEDRP C#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001098385742 759006937 /nfs/dbraw/zinc/00/69/37/759006937.db2.gz FSCVRFYPLWDOTH-KRWDZBQOSA-N 2 0 321.465 0.779 20 30 DCEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001098392798 759249938 /nfs/dbraw/zinc/24/99/38/759249938.db2.gz YZTJTRQZQZGFQZ-MRXNPFEDSA-N 2 0 307.438 0.245 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2C[C@H](C)O)CC1 ZINC001085987024 759546926 /nfs/dbraw/zinc/54/69/26/759546926.db2.gz RPUOSKSXTVIYEI-GOEBONIOSA-N 2 0 307.438 0.245 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001098399150 759571088 /nfs/dbraw/zinc/57/10/88/759571088.db2.gz ACRVNAWFDQMFQR-KRWDZBQOSA-N 2 0 323.481 0.881 20 30 DCEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001086151226 759768003 /nfs/dbraw/zinc/76/80/03/759768003.db2.gz RXLOYOHLIOZGJA-CLEAANHHSA-N 2 0 319.449 0.910 20 30 DCEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001086502848 760265315 /nfs/dbraw/zinc/26/53/15/760265315.db2.gz QPMBUBCGUNWCCK-CTYIDZIISA-N 2 0 305.426 0.729 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070310307 761167974 /nfs/dbraw/zinc/16/79/74/761167974.db2.gz UWMWJQZKBBSUHV-ZNMIVQPWSA-N 2 0 318.425 0.147 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)CC[NH+](C)C)C[C@H](C)O2 ZINC001111549407 761413487 /nfs/dbraw/zinc/41/34/87/761413487.db2.gz QGARMANSMYRHEB-HNNXBMFYSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001123694274 768045203 /nfs/dbraw/zinc/04/52/03/768045203.db2.gz JCBPQDGGQBUXDC-ZBFHGGJFSA-N 2 0 321.469 0.018 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@H](C)O2 ZINC001071241514 761732424 /nfs/dbraw/zinc/73/24/24/761732424.db2.gz WDYJTJICVBGIBR-FUHWJXTLSA-N 2 0 319.449 0.797 20 30 DCEDRP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001110101663 762857750 /nfs/dbraw/zinc/85/77/50/762857750.db2.gz ZCNHDRVUUVSJBS-WCVJEAGWSA-N 2 0 307.438 0.862 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](O)C1 ZINC001099938226 763143784 /nfs/dbraw/zinc/14/37/84/763143784.db2.gz SKAIAVKHHJBFMH-JKSUJKDBSA-N 2 0 321.465 0.826 20 30 DCEDRP C=C(Cl)C[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130230828 763189968 /nfs/dbraw/zinc/18/99/68/763189968.db2.gz XKDRSPQEUQLYOK-UHFFFAOYSA-N 2 0 303.834 0.803 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130711658 763451456 /nfs/dbraw/zinc/45/14/56/763451456.db2.gz ZSMGEXCOSFBXHJ-AWEZNQCLSA-N 2 0 310.442 0.115 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130708640 763455370 /nfs/dbraw/zinc/45/53/70/763455370.db2.gz BUFJEQYTABEYAJ-LSDHHAIUSA-N 2 0 324.469 0.503 20 30 DCEDRP N#C[C@H](Nc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1)C(N)=O ZINC001170536896 763636900 /nfs/dbraw/zinc/63/69/00/763636900.db2.gz PZXMPSZRBLLYPZ-HNNXBMFYSA-N 2 0 301.394 0.647 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001100676904 763716878 /nfs/dbraw/zinc/71/68/78/763716878.db2.gz URXOLCNWOOBGSO-FHERZECASA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001100890048 763844298 /nfs/dbraw/zinc/84/42/98/763844298.db2.gz JHEVEJWRHRQHKN-UHFFFAOYSA-N 2 0 324.469 0.505 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131845281 764063784 /nfs/dbraw/zinc/06/37/84/764063784.db2.gz VRSUVLFHKCFSOI-CQSZACIVSA-N 2 0 322.453 0.095 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366606 764614750 /nfs/dbraw/zinc/61/47/50/764614750.db2.gz KZUUVLIAZYLKTN-IXDOHACOSA-N 2 0 321.465 0.805 20 30 DCEDRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC#CCOC)C[C@H]1C)[NH+](C)C ZINC001102378100 764619678 /nfs/dbraw/zinc/61/96/78/764619678.db2.gz ODMAFZHJPIDEEF-OAGGEKHMSA-N 2 0 309.454 0.661 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132893322 764713317 /nfs/dbraw/zinc/71/33/17/764713317.db2.gz NKPTWZLGYZUYDW-MJBXVCDLSA-N 2 0 310.442 0.113 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133983095 765270806 /nfs/dbraw/zinc/27/08/06/765270806.db2.gz ZFJUAKXMDYQFDV-AWEZNQCLSA-N 2 0 312.458 0.457 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584760 765581114 /nfs/dbraw/zinc/58/11/14/765581114.db2.gz WTTKWPLHQVAPIJ-KBPBESRZSA-N 2 0 322.453 0.093 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134606774 765600172 /nfs/dbraw/zinc/60/01/72/765600172.db2.gz ASJDFUIUDTWMJH-KGLIPLIRSA-N 2 0 324.469 0.646 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134766343 765660798 /nfs/dbraw/zinc/66/07/98/765660798.db2.gz FTFRQHWTGKARSZ-LSDHHAIUSA-N 2 0 322.453 0.093 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001159327375 765753291 /nfs/dbraw/zinc/75/32/91/765753291.db2.gz HSOIZKGOPPOLTC-AWEZNQCLSA-N 2 0 310.442 0.259 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299052 765873127 /nfs/dbraw/zinc/87/31/27/765873127.db2.gz SUUYOZDNDHCDTI-KGLIPLIRSA-N 2 0 324.469 0.503 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135308130 765876936 /nfs/dbraw/zinc/87/69/36/765876936.db2.gz OFQOZHCTUDLRGO-ZIAGYGMSSA-N 2 0 312.458 0.503 20 30 DCEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135651504 766023129 /nfs/dbraw/zinc/02/31/29/766023129.db2.gz LYTAGRGABQDNGP-GJZGRUSLSA-N 2 0 319.453 0.955 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135966256 766188712 /nfs/dbraw/zinc/18/87/12/766188712.db2.gz LRXSMTLCLFKQOA-CABCVRRESA-N 2 0 324.469 0.341 20 30 DCEDRP C#CCN1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](O)C1 ZINC001090650343 766438306 /nfs/dbraw/zinc/43/83/06/766438306.db2.gz JUULTPYGARYTOM-IAGOWNOFSA-N 2 0 315.417 0.546 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C[C@@H]2O)CC1 ZINC001090830595 766649417 /nfs/dbraw/zinc/64/94/17/766649417.db2.gz NNVRQXMQKJRSCD-SJORKVTESA-N 2 0 319.449 0.293 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001119418713 766671331 /nfs/dbraw/zinc/67/13/31/766671331.db2.gz UFRLWGDZTJRAJF-ZFWWWQNUSA-N 2 0 322.453 0.529 20 30 DCEDRP C#CCN1C(=O)C[C@@H](N2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)C1=O ZINC001120771078 767196135 /nfs/dbraw/zinc/19/61/35/767196135.db2.gz LACRATJIHCJDHJ-OLMNPRSZSA-N 2 0 315.417 0.555 20 30 DCEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092842737 768402472 /nfs/dbraw/zinc/40/24/72/768402472.db2.gz MZTMUJSPSYGTSK-HCBPCCMXSA-N 2 0 319.449 0.720 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H](CCCC)C(N)=O)CC1 ZINC001152329811 769529055 /nfs/dbraw/zinc/52/90/55/769529055.db2.gz BJKWMZJRFYQCHI-OAHLLOKOSA-N 2 0 322.453 0.082 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cc(C)no2)CC1 ZINC001152330254 769529673 /nfs/dbraw/zinc/52/96/73/769529673.db2.gz KGLAUZQQKNMBKY-UHFFFAOYSA-N 2 0 304.394 0.534 20 30 DCEDRP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)COC1CC[NH+](C)CC1)C2 ZINC001095028588 769542584 /nfs/dbraw/zinc/54/25/84/769542584.db2.gz HNNPNAROLGQKKU-XHSDSOJGSA-N 2 0 319.449 0.700 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCCn1ccnc1 ZINC001153356382 769796440 /nfs/dbraw/zinc/79/64/40/769796440.db2.gz NZZPZQAYAJXXEZ-ZDUSSCGKSA-N 2 0 307.398 0.060 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176117553 770037395 /nfs/dbraw/zinc/03/73/95/770037395.db2.gz BKQUBKXFCZTOQW-UHFFFAOYSA-N 2 0 322.453 0.379 20 30 DCEDRP Cc1ccc(S(=O)(=O)NCCC[NH2+]CCC[NH3+])cc1C#N ZINC001238879853 770141381 /nfs/dbraw/zinc/14/13/81/770141381.db2.gz XOVYYEZAOWATQF-UHFFFAOYSA-N 2 0 310.423 0.474 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2nonc2C)CC1 ZINC001176926221 770226000 /nfs/dbraw/zinc/22/60/00/770226000.db2.gz JQUQWKFXHXEQEQ-UHFFFAOYSA-N 2 0 319.409 0.319 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2coc(C)n2)CC1 ZINC001176926927 770226914 /nfs/dbraw/zinc/22/69/14/770226914.db2.gz ZAXBIFCMSVFEIP-UHFFFAOYSA-N 2 0 318.421 0.924 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)CCCC[NH+]1CCCC1 ZINC001177330510 770410062 /nfs/dbraw/zinc/41/00/62/770410062.db2.gz CBRZPRGCRLLIGH-UHFFFAOYSA-N 2 0 309.454 0.998 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203357037 770829782 /nfs/dbraw/zinc/82/97/82/770829782.db2.gz CXXNPNURKWGHHP-GJZGRUSLSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179439404 771005442 /nfs/dbraw/zinc/00/54/42/771005442.db2.gz NREMMWVRNLKPQM-KKUMJFAQSA-N 2 0 322.453 0.045 20 30 DCEDRP N#Cc1c2c(cnc1-n1cncc1C[C@@H]([NH3+])CO)C[NH2+]CCC2 ZINC001158204403 771740012 /nfs/dbraw/zinc/74/00/12/771740012.db2.gz ZYRDVTKEGDEROX-GFCCVEGCSA-N 2 0 312.377 0.037 20 30 DCEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158485970 771781618 /nfs/dbraw/zinc/78/16/18/771781618.db2.gz CMBHLEXWDZHICN-QWHCGFSZSA-N 2 0 301.818 0.698 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001185501639 771922773 /nfs/dbraw/zinc/92/27/73/771922773.db2.gz HVFSBOMKTHTDJE-HOTGVXAUSA-N 2 0 309.454 0.662 20 30 DCEDRP C#CC[NH2+][C@@H]1CCO[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001186097913 772002635 /nfs/dbraw/zinc/00/26/35/772002635.db2.gz YGEMAYQHYGBVFE-IAGOWNOFSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001160267713 772015627 /nfs/dbraw/zinc/01/56/27/772015627.db2.gz QMIBXJGKDHYOPT-CQSZACIVSA-N 2 0 310.442 0.259 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001160826504 772116889 /nfs/dbraw/zinc/11/68/89/772116889.db2.gz JALLYYVRTZTVPB-UHFFFAOYSA-N 2 0 322.453 0.261 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187240749 772151605 /nfs/dbraw/zinc/15/16/05/772151605.db2.gz KACGTDDBJALBQS-CQSZACIVSA-N 2 0 310.442 0.211 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001161649624 772259785 /nfs/dbraw/zinc/25/97/85/772259785.db2.gz PITVRSYRSHMBHG-INIZCTEOSA-N 2 0 309.454 0.853 20 30 DCEDRP CN(C)/C=[NH+]/c1ccc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)cc1C#N ZINC001163252145 772491828 /nfs/dbraw/zinc/49/18/28/772491828.db2.gz FMDHZHCKIPWHTA-DQFKJYDESA-N 2 0 312.377 0.770 20 30 DCEDRP C=CCC1(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC001190796622 772679704 /nfs/dbraw/zinc/67/97/04/772679704.db2.gz KKFSTJKCEOLBCQ-UHFFFAOYSA-N 2 0 303.472 0.850 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CC#CC)CC2)CC1 ZINC001203888786 772928611 /nfs/dbraw/zinc/92/86/11/772928611.db2.gz PUBSXMLOTJQRJH-UHFFFAOYSA-N 2 0 301.434 0.936 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194041314 773143783 /nfs/dbraw/zinc/14/37/83/773143783.db2.gz XDHVCFBXEDLOKB-GJZGRUSLSA-N 2 0 322.453 0.306 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)C[C@@H](C)OC)C2)CC1 ZINC001194247348 773167454 /nfs/dbraw/zinc/16/74/54/773167454.db2.gz XBNACOJAMLXRAI-NVXWUHKLSA-N 2 0 321.465 0.899 20 30 DCEDRP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001208707961 773516511 /nfs/dbraw/zinc/51/65/11/773516511.db2.gz NYMFWDCHZAEUJI-OWCLPIDISA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001210284627 773694859 /nfs/dbraw/zinc/69/48/59/773694859.db2.gz WHZUEGUCNLLQCD-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210492936 773713281 /nfs/dbraw/zinc/71/32/81/773713281.db2.gz GIFTYRFPHCVCRZ-LSDHHAIUSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210684746 773730084 /nfs/dbraw/zinc/73/00/84/773730084.db2.gz ISCPBLFWWXDZGX-OAHLLOKOSA-N 2 0 313.442 0.348 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215535971 774081875 /nfs/dbraw/zinc/08/18/75/774081875.db2.gz BDQWSTRYOPDQAS-BZUAXINKSA-N 2 0 307.438 0.557 20 30 DCEDRP CC(C)(C#N)c1ccc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])cn1 ZINC001218581226 774255685 /nfs/dbraw/zinc/25/56/85/774255685.db2.gz INBLIXUKQPCNRT-NSHDSACASA-N 2 0 307.423 0.840 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)CCCO1 ZINC001201403604 774501595 /nfs/dbraw/zinc/50/15/95/774501595.db2.gz NCZJIDUVDJUANQ-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCCO1 ZINC001201569850 774526368 /nfs/dbraw/zinc/52/63/68/774526368.db2.gz UESHUPCWYDLYEE-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001201862441 774559695 /nfs/dbraw/zinc/55/96/95/774559695.db2.gz AVUNLLVTKYDCCU-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)CCCO1 ZINC001202163274 774609384 /nfs/dbraw/zinc/60/93/84/774609384.db2.gz FUDLJMAEAODVPK-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP N#Cc1cnc(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)s1 ZINC001220872346 774941225 /nfs/dbraw/zinc/94/12/25/774941225.db2.gz VCUBXJASVSVOOB-NSHDSACASA-N 2 0 305.407 0.505 20 30 DCEDRP C#CC[NH2+]C1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)CC1 ZINC001202559690 774959455 /nfs/dbraw/zinc/95/94/55/774959455.db2.gz KFEPFQZFXAKJBR-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001228030574 776038877 /nfs/dbraw/zinc/03/88/77/776038877.db2.gz AQIMOAYOLCUXPF-INIZCTEOSA-N 2 0 322.453 0.494 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC001114831770 776198302 /nfs/dbraw/zinc/19/83/02/776198302.db2.gz FIOWSCYJENINFG-AIANPOQGSA-N 2 0 305.422 0.167 20 30 DCEDRP COCC#CC[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001230046716 776246505 /nfs/dbraw/zinc/24/65/05/776246505.db2.gz HYRZIKDPSYQUAB-UHFFFAOYSA-N 2 0 305.422 0.313 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CCCO)CC1 ZINC001278005491 945093246 /nfs/dbraw/zinc/09/32/46/945093246.db2.gz LUBKUNKIPJBCQF-MRXNPFEDSA-N 2 0 307.438 0.295 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317655276 945147816 /nfs/dbraw/zinc/14/78/16/945147816.db2.gz PAEAVNQSQSRHAB-ZIAGYGMSSA-N 2 0 310.442 0.067 20 30 DCEDRP C=C(C)CC[NH+]1CCN(CCN(C)C(=O)CC[NH+](C)C)CC1 ZINC001317819802 945195459 /nfs/dbraw/zinc/19/54/59/945195459.db2.gz HORNRMQHOPBPEM-UHFFFAOYSA-N 2 0 310.486 0.980 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001266415390 939110886 /nfs/dbraw/zinc/11/08/86/939110886.db2.gz UPOUPHBBYWJIDR-LSDHHAIUSA-N 2 0 322.453 0.257 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC[N@@H+](C)C[C@@H]1CCCOC1 ZINC001480876149 939133366 /nfs/dbraw/zinc/13/33/66/939133366.db2.gz ZJWHIDCIXJPVHO-HOTGVXAUSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCOCC ZINC001267269471 939410923 /nfs/dbraw/zinc/41/09/23/939410923.db2.gz OBZGPEOEXRSCKZ-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC#CCOC)CC[N@@H+]1C ZINC001481039263 939536455 /nfs/dbraw/zinc/53/64/55/939536455.db2.gz KWZLAIYPFCDOST-YESZJQIVSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)CN1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267791183 939683698 /nfs/dbraw/zinc/68/36/98/939683698.db2.gz VWTNUJCEISZCQN-CABCVRRESA-N 2 0 322.453 0.163 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001270436684 940900498 /nfs/dbraw/zinc/90/04/98/940900498.db2.gz QUFPJDROAWVNAD-UONOGXRCSA-N 2 0 310.442 0.115 20 30 DCEDRP C=CCCC[N@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001271207319 941322223 /nfs/dbraw/zinc/32/22/23/941322223.db2.gz BJLIHQYOQOMZLF-QGZVFWFLSA-N 2 0 307.438 0.601 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001271752566 941443789 /nfs/dbraw/zinc/44/37/89/941443789.db2.gz RWZWQRCHCSWYPG-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP C=C(C)C[N@H+]1CCC[C@](CO)(NC(=O)CCc2nccn2C)C1 ZINC001271973840 941497153 /nfs/dbraw/zinc/49/71/53/941497153.db2.gz NJQDSAAEOUTXBQ-KRWDZBQOSA-N 2 0 320.437 0.872 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N(C)CCN(C)Cc1ccnn1C ZINC001482603970 941581989 /nfs/dbraw/zinc/58/19/89/941581989.db2.gz ZOLLDUSXLJXWNR-INIZCTEOSA-N 2 0 317.437 0.408 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001272615413 942869889 /nfs/dbraw/zinc/86/98/89/942869889.db2.gz BSEBQOMVBOEHML-MRXNPFEDSA-N 2 0 319.449 0.560 20 30 DCEDRP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](C[C@H](C)O)CC1 ZINC001483984652 943071476 /nfs/dbraw/zinc/07/14/76/943071476.db2.gz UJBCVLLBBXHICL-ZMSDIMECSA-N 2 0 321.465 0.634 20 30 DCEDRP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001484849847 943595504 /nfs/dbraw/zinc/59/55/04/943595504.db2.gz ZTGZTWSULDZAQR-DOTOQJQBSA-N 2 0 309.454 0.847 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001491180114 943816717 /nfs/dbraw/zinc/81/67/17/943816717.db2.gz PBVOPDZVMKQDDG-IRXDYDNUSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001485346814 943862436 /nfs/dbraw/zinc/86/24/36/943862436.db2.gz XWNXTWFSZYAWEZ-ZIAGYGMSSA-N 2 0 310.442 0.162 20 30 DCEDRP COCC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001485481251 943957264 /nfs/dbraw/zinc/95/72/64/943957264.db2.gz ARDNUVUSKZOOJU-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001485685044 944080173 /nfs/dbraw/zinc/08/01/73/944080173.db2.gz PMUYXTLJNFHIES-KLHDSHLOSA-N 2 0 307.438 0.461 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCC[NH2+][C@@H](C)C(N)=O)CC1 ZINC001485752005 944120543 /nfs/dbraw/zinc/12/05/43/944120543.db2.gz SJTYJOAKYFLACT-KBPBESRZSA-N 2 0 322.453 0.080 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001485802569 944143041 /nfs/dbraw/zinc/14/30/41/944143041.db2.gz AHVSBHLQJVTAAN-JKSUJKDBSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001276588594 944224646 /nfs/dbraw/zinc/22/46/46/944224646.db2.gz JYRDHGLDZOBNPP-SJORKVTESA-N 2 0 319.449 0.462 20 30 DCEDRP CC#CCN1CC[C@H]1CNC(=O)CCCCN1CCOCC1 ZINC001276942642 944601886 /nfs/dbraw/zinc/60/18/86/944601886.db2.gz YVALPXHGOBRQTL-INIZCTEOSA-N 2 0 307.438 0.703 20 30 DCEDRP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001486353090 944808543 /nfs/dbraw/zinc/80/85/43/944808543.db2.gz UKLSUMPBYXGAAH-INIZCTEOSA-N 2 0 309.454 0.491 20 30 DCEDRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+](CC#CCOC)C1 ZINC001317143231 944820414 /nfs/dbraw/zinc/82/04/14/944820414.db2.gz LNSTZWKCXKDFPZ-INIZCTEOSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CN(CC)CCO1 ZINC001317198281 944848321 /nfs/dbraw/zinc/84/83/21/944848321.db2.gz FAXKXRCROQWRQR-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001317265245 944885890 /nfs/dbraw/zinc/88/58/90/944885890.db2.gz NNKVIZDRMNKFQW-UONOGXRCSA-N 2 0 322.453 0.209 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001317321150 944922377 /nfs/dbraw/zinc/92/23/77/944922377.db2.gz DMYWPLAUPFGBFC-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP C[NH+](C)CCN1CC[N@H+](CCCC#N)C[C@@]2(CCCC(=O)N2)C1 ZINC001277944987 945054201 /nfs/dbraw/zinc/05/42/01/945054201.db2.gz ILMRNYJULRXGPV-KRWDZBQOSA-N 2 0 321.469 0.508 20 30 DCEDRP C=CCC[NH2+]C[C@H](O)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001320240673 945783280 /nfs/dbraw/zinc/78/32/80/945783280.db2.gz BPKHABLSJRAIJP-AWEZNQCLSA-N 2 0 302.378 0.899 20 30 DCEDRP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001278782560 946385404 /nfs/dbraw/zinc/38/54/04/946385404.db2.gz YWBBDOITECYKJE-ZMSDIMECSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001278864811 946497616 /nfs/dbraw/zinc/49/76/16/946497616.db2.gz KIAHBWNWMNJCNA-HNNXBMFYSA-N 2 0 314.389 0.641 20 30 DCEDRP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C2)CC1 ZINC001261457242 947299361 /nfs/dbraw/zinc/29/93/61/947299361.db2.gz BWDJYSFAEBLQRB-UKRRQHHQSA-N 2 0 307.442 0.292 20 30 DCEDRP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CCCO)CC1 ZINC001324412745 947419096 /nfs/dbraw/zinc/41/90/96/947419096.db2.gz DNHKWIQMSBXTTI-MRXNPFEDSA-N 2 0 307.438 0.389 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC001280626744 947489991 /nfs/dbraw/zinc/48/99/91/947489991.db2.gz ADMCVZRPZKTHBK-HRCADAONSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001273446530 947728330 /nfs/dbraw/zinc/72/83/30/947728330.db2.gz RXNURGRUOOQVAR-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001264076526 948864170 /nfs/dbraw/zinc/86/41/70/948864170.db2.gz GLBJRHUKJFXSMI-SJORKVTESA-N 2 0 323.481 0.881 20 30 DCEDRP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001264079987 948872550 /nfs/dbraw/zinc/87/25/50/948872550.db2.gz DCTMMHXPXUTXOI-HOTGVXAUSA-N 2 0 307.438 0.247 20 30 DCEDRP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001264080701 948874187 /nfs/dbraw/zinc/87/41/87/948874187.db2.gz UKMBIAVURWLWMJ-JKSUJKDBSA-N 2 0 309.454 0.635 20 30 DCEDRP CC#CC[N@H+](C)CCOCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001264663892 949059201 /nfs/dbraw/zinc/05/92/01/949059201.db2.gz SVTDACMWEBWVMR-UHFFFAOYSA-N 2 0 309.454 0.901 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCOC)C2)CC1 ZINC001488803861 949198087 /nfs/dbraw/zinc/19/80/87/949198087.db2.gz HMRPBYYUGDLOMB-FZNQNYSPSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CCCOC)C2)CC1 ZINC001488880182 949343047 /nfs/dbraw/zinc/34/30/47/949343047.db2.gz OGKLZVCKCZOUMX-JCNLHEQBSA-N 2 0 321.465 0.853 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001265378745 949644856 /nfs/dbraw/zinc/64/48/56/949644856.db2.gz RPPCFUFIKNKMLA-HNNXBMFYSA-N 2 0 305.422 0.216 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001265673649 949866504 /nfs/dbraw/zinc/86/65/04/949866504.db2.gz JQNMBVITBLOSRA-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC#CCOC)C1 ZINC001265947760 950178742 /nfs/dbraw/zinc/17/87/42/950178742.db2.gz XMVMOWHOFZZLAR-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001265977181 950223193 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DCEDRP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001274663254 951774041 /nfs/dbraw/zinc/77/40/41/951774041.db2.gz SXUSHYQQJAINKN-GJZGRUSLSA-N 2 0 322.453 0.354 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001280581563 951806878 /nfs/dbraw/zinc/80/68/78/951806878.db2.gz CLBVGZOIOSORRA-HZPDHXFCSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]C[C@@H]2CCOC2)CC1 ZINC001275459284 952162321 /nfs/dbraw/zinc/16/23/21/952162321.db2.gz MPMVMNYAADKOQZ-GJZGRUSLSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)C[C@@H]2CCOC2)CC1 ZINC001275729800 952411184 /nfs/dbraw/zinc/41/11/84/952411184.db2.gz PHYZFTDJMNIHEJ-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP CC(=O)c1ccc(OC[C@H](O)C[NH2+]CC#CC[NH+](C)C)cc1 ZINC001336769941 952762959 /nfs/dbraw/zinc/76/29/59/952762959.db2.gz FJPZRDGHGILHRY-MRXNPFEDSA-N 2 0 304.390 0.784 20 30 DCEDRP O=C(NCC[NH2+]C1CC[NH+](CC2CC2)CC1)C1N=CC=CC1=O ZINC001337209388 952828860 /nfs/dbraw/zinc/82/88/60/952828860.db2.gz AHYDMNVWRPGPQG-MSUUIHNZSA-N 2 0 318.421 0.977 20 30 DCEDRP C=CCCC[C@H]([NH3+])C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001340876882 953200970 /nfs/dbraw/zinc/20/09/70/953200970.db2.gz RJEJCKUROUISFO-LSDHHAIUSA-N 2 0 322.453 0.481 20 30 DCEDRP C=CC[C@]1(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CCC[NH2+]1 ZINC001342697246 953303173 /nfs/dbraw/zinc/30/31/73/953303173.db2.gz ZKWRYEYFVWCMJV-HLLBOEOZSA-N 2 0 307.438 0.742 20 30 DCEDRP CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC#CCOC)[NH+](C)C ZINC001281965243 953434779 /nfs/dbraw/zinc/43/47/79/953434779.db2.gz PPXSDEXYDNJLRA-HZPDHXFCSA-N 2 0 309.454 0.899 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001282859721 953702247 /nfs/dbraw/zinc/70/22/47/953702247.db2.gz CSYZYSKAOSZMOH-PHZGNYQRSA-N 2 0 319.449 0.415 20 30 DCEDRP CC#CC[NH2+][C@H](CO)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001283814056 954625376 /nfs/dbraw/zinc/62/53/76/954625376.db2.gz DRYGKFMULAOSAM-INIZCTEOSA-N 2 0 303.406 0.452 20 30 DCEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001283814058 954626809 /nfs/dbraw/zinc/62/68/09/954626809.db2.gz DRYGKFMULAOSAM-MRXNPFEDSA-N 2 0 303.406 0.452 20 30 DCEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001284430801 955087020 /nfs/dbraw/zinc/08/70/20/955087020.db2.gz VVUPGQMYMFWEQY-CQSZACIVSA-N 2 0 302.378 0.851 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491883167 959349891 /nfs/dbraw/zinc/34/98/91/959349891.db2.gz SXTNJTHJDPWHAP-JKSUJKDBSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CC[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001316763688 960318708 /nfs/dbraw/zinc/31/87/08/960318708.db2.gz SIMMZYJUKCBGEY-MRXNPFEDSA-N 2 0 309.454 0.921 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001380910527 963675932 /nfs/dbraw/zinc/67/59/32/963675932.db2.gz KNTCDVQXQNCEQE-CYBMUJFWSA-N 2 0 313.829 0.652 20 30 DCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001502567595 1015974674 /nfs/dbraw/zinc/97/46/74/1015974674.db2.gz HPHPZCKJPGTANH-WBVHZDCISA-N 2 0 309.454 0.988 20 30 DCEDRP C#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC001505401222 1016212127 /nfs/dbraw/zinc/21/21/27/1016212127.db2.gz SSVDXOZCJGHYSO-KRWDZBQOSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001505435618 1016241543 /nfs/dbraw/zinc/24/15/43/1016241543.db2.gz LDDPAHDFIAYPPO-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001507321069 1016249674 /nfs/dbraw/zinc/24/96/74/1016249674.db2.gz PEDDZNCHVPOROB-LSDHHAIUSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001507321065 1016251201 /nfs/dbraw/zinc/25/12/01/1016251201.db2.gz PEDDZNCHVPOROB-GJZGRUSLSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC001507434038 1016325020 /nfs/dbraw/zinc/32/50/20/1016325020.db2.gz PCGRAIPTCIUVGE-OAGGEKHMSA-N 2 0 321.465 0.803 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)[C@@H](CC)C(N)=O)CC1 ZINC001506065914 1016972274 /nfs/dbraw/zinc/97/22/74/1016972274.db2.gz YIKRMNCWPPRAFE-ZFWWWQNUSA-N 2 0 322.453 0.032 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]Cc1cc(C#N)ccc1F ZINC001445222102 1011538045 /nfs/dbraw/zinc/53/80/45/1011538045.db2.gz FHVRVMUBKQRQIZ-CQSZACIVSA-N 2 0 322.384 0.216 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001479319216 1017495931 /nfs/dbraw/zinc/49/59/31/1017495931.db2.gz GRGCLJIONXMRRJ-OTVXOJSOSA-N 2 0 322.453 0.115 20 30 DCEDRP C#CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001506843453 1017605547 /nfs/dbraw/zinc/60/55/47/1017605547.db2.gz LFXSKMZRBUDELU-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)C)C[C@@]2(C)C1 ZINC001506869261 1017627975 /nfs/dbraw/zinc/62/79/75/1017627975.db2.gz SJMPEHYSSQRNDP-HDICACEKSA-N 2 0 321.465 0.758 20 30 DCEDRP C=CCC[NH+]1CCN(CCCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001479919008 1017969531 /nfs/dbraw/zinc/96/95/31/1017969531.db2.gz AVRKUDDJUKLPJE-MRXNPFEDSA-N 2 0 308.470 0.781 20 30 DCEDRP C=CCC[NH+]1CCN(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001479936507 1018003310 /nfs/dbraw/zinc/00/33/10/1018003310.db2.gz HIJDQFTVFRZMBV-UHFFFAOYSA-N 2 0 308.470 0.638 20 30 DCEDRP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCOC)CC1 ZINC001500043114 1018186547 /nfs/dbraw/zinc/18/65/47/1018186547.db2.gz IBTNQWPJRXFBKC-MRXNPFEDSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001480168158 1018276938 /nfs/dbraw/zinc/27/69/38/1018276938.db2.gz YADJUPOYTRPPDA-LXTVHRRPSA-N 2 0 322.453 0.256 20 30 DCEDRP C#CC[NH2+]C[C@]1(C)CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001500383902 1018435384 /nfs/dbraw/zinc/43/53/84/1018435384.db2.gz IBNHDJNSNPDSGO-KRWDZBQOSA-N 2 0 317.437 0.520 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001480476266 1018570613 /nfs/dbraw/zinc/57/06/13/1018570613.db2.gz XGTMORCFDYUNPV-QWHCGFSZSA-N 2 0 310.442 0.256 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CC#CCOC)C1 ZINC001480709922 1018792966 /nfs/dbraw/zinc/79/29/66/1018792966.db2.gz TZCAVTVTADHORM-JKSUJKDBSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CCC[NH2+]CCCN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001498588474 1019248138 /nfs/dbraw/zinc/24/81/38/1019248138.db2.gz UIZCUKPQMJRIIC-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC1 ZINC000069501026 396081477 /nfs/dbraw/zinc/08/14/77/396081477.db2.gz IZNOEOGYQQBTAC-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)COCC[NH3+])CC2)c1 ZINC000593919489 397480955 /nfs/dbraw/zinc/48/09/55/397480955.db2.gz WYWGRBADKGUBNG-UHFFFAOYSA-N 2 0 316.405 0.614 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000125830472 415871847 /nfs/dbraw/zinc/87/18/47/415871847.db2.gz AVJPROMWXHHOBN-INIZCTEOSA-N 2 0 312.458 0.639 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](Oc2ccncc2)C1 ZINC000131707986 415931199 /nfs/dbraw/zinc/93/11/99/415931199.db2.gz ZNWJXWFYBJSFFJ-JSGCOSHPSA-N 2 0 318.377 0.935 20 30 DCEDRP C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)C1=CC[N@H+](C)CC1 ZINC000329310915 416163016 /nfs/dbraw/zinc/16/30/16/416163016.db2.gz QZGFSUDYJOAWOB-AWEZNQCLSA-N 2 0 324.469 0.939 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+](CC)CCO)CC1 ZINC000187259477 416260919 /nfs/dbraw/zinc/26/09/19/416260919.db2.gz FWVUOBQZKYZIBR-UHFFFAOYSA-N 2 0 312.458 0.640 20 30 DCEDRP Cn1cc(C[NH2+]CCCC[NH+]2CCN(CCO)CC2)cc1C#N ZINC000359715187 416354806 /nfs/dbraw/zinc/35/48/06/416354806.db2.gz KPMLBRGZFVMGQD-UHFFFAOYSA-N 2 0 319.453 0.376 20 30 DCEDRP C#CCN1CCN(C(=O)CN2[C@H](C)C[N@H+](CC)C[C@@H]2C)CC1 ZINC000491296814 416595062 /nfs/dbraw/zinc/59/50/62/416595062.db2.gz NHHSZFCFUPLJEU-IYBDPMFKSA-N 2 0 306.454 0.178 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000490657130 416570789 /nfs/dbraw/zinc/57/07/89/416570789.db2.gz QNBBHCJDNUWRMH-OAHLLOKOSA-N 2 0 306.454 0.084 20 30 DCEDRP CCOCC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@H]1CC ZINC000424142112 416616346 /nfs/dbraw/zinc/61/63/46/416616346.db2.gz HXDXLGXPIUUDDS-CABCVRRESA-N 2 0 310.442 0.967 20 30 DCEDRP C=C(CNC(=O)[C@@H](CC)[NH+](C)C)CNC(=O)[C@H](CC)[NH+](C)C ZINC000620748808 417271757 /nfs/dbraw/zinc/27/17/57/417271757.db2.gz ZMFYKAASBSPXMU-OKILXGFUSA-N 2 0 312.458 0.455 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)CC1 ZINC000490901199 332902850 /nfs/dbraw/zinc/90/28/50/332902850.db2.gz ZLTLRURLVLXHSI-LSDHHAIUSA-N 2 0 309.479 0.836 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000569481695 332101155 /nfs/dbraw/zinc/10/11/55/332101155.db2.gz NXTVYDFJAWOVBX-AWEZNQCLSA-N 2 0 318.425 0.410 20 30 DCEDRP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000329793140 336082210 /nfs/dbraw/zinc/08/22/10/336082210.db2.gz AUKLVDQGFZQDDI-HUUCEWRRSA-N 2 0 323.485 0.610 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)c1sccc1C[NH+](C)C ZINC001569935525 1161333707 /nfs/dbraw/zinc/33/37/07/1161333707.db2.gz NRAJTFDYPKDPNP-UHFFFAOYSA-N 2 0 323.462 0.857 20 30 DCEDRP C[NH+]=C(NCCN1CCOC[C@@H]1C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261990758 526359322 /nfs/dbraw/zinc/35/93/22/526359322.db2.gz REMQNBALUBSKNL-IJEWVQPXSA-N 2 0 323.485 0.355 20 30 DCEDRP C[NH+]=C(NCCNC(=O)C(C)C)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262794136 526360040 /nfs/dbraw/zinc/36/00/40/526360040.db2.gz PDGMJQULMKOVTD-AWEZNQCLSA-N 2 0 307.442 0.280 20 30 DCEDRP C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000158433645 526382370 /nfs/dbraw/zinc/38/23/70/526382370.db2.gz HYIAPVUZMWSTGM-YPMHNXCESA-N 2 0 321.425 0.772 20 30 DCEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000261946120 528809394 /nfs/dbraw/zinc/80/93/94/528809394.db2.gz FZZFDYSISTUKRW-IJEWVQPXSA-N 3 0 307.486 0.976 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCn1cc([N+](=O)[O-])cn1 ZINC000269073573 529073333 /nfs/dbraw/zinc/07/33/33/529073333.db2.gz HDCNHYDXYBJUTH-LLVKDONJSA-N 2 0 309.374 0.180 20 30 DCEDRP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC000978180709 660492836 /nfs/dbraw/zinc/49/28/36/660492836.db2.gz OBZCIZNKXSLGQY-QKDCVEJESA-N 2 0 317.437 0.538 20 30 DCEDRP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC000978248246 660506279 /nfs/dbraw/zinc/50/62/79/660506279.db2.gz KGMQPFIDJBEZHZ-VQHPVUNQSA-N 2 0 303.450 0.892 20 30 DCEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001027686837 660620408 /nfs/dbraw/zinc/62/04/08/660620408.db2.gz XWBFFYDNAWGFNB-HOTGVXAUSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000981209157 661103428 /nfs/dbraw/zinc/10/34/28/661103428.db2.gz FQLSJMFIVBWQBB-HOTGVXAUSA-N 2 0 305.422 0.407 20 30 DCEDRP C#CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000981209154 661103597 /nfs/dbraw/zinc/10/35/97/661103597.db2.gz FQLSJMFIVBWQBB-CVEARBPZSA-N 2 0 305.422 0.407 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCO)C2)CC1 ZINC000981542437 661169450 /nfs/dbraw/zinc/16/94/50/661169450.db2.gz UPJWNLZXMPDDGW-CVEARBPZSA-N 2 0 307.438 0.341 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N(C)C1CC(NCc2cnon2)C1 ZINC000998927266 665551008 /nfs/dbraw/zinc/55/10/08/665551008.db2.gz DUBAUSJPMYZJKV-ZALBZXLWSA-N 2 0 317.393 0.246 20 30 DCEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CC[C@H](CC(C)C)C1 ZINC000261663434 658276662 /nfs/dbraw/zinc/27/66/62/658276662.db2.gz GKFZGDPDIYZNRO-HZPDHXFCSA-N 2 0 307.486 0.930 20 30 DCEDRP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC000972314345 658554268 /nfs/dbraw/zinc/55/42/68/658554268.db2.gz CNQMLFZKVJOMGI-NVXWUHKLSA-N 2 0 323.437 0.196 20 30 DCEDRP C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC000972392013 658707040 /nfs/dbraw/zinc/70/70/40/658707040.db2.gz GKSAWRLLGMDOGA-LZLYRXPVSA-N 2 0 319.449 0.653 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCOC3)C2)CC1 ZINC001021089337 658750391 /nfs/dbraw/zinc/75/03/91/658750391.db2.gz DXMLAEHYIIDTRG-XIRDDKMYSA-N 2 0 319.449 0.605 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2C[C@@H](C)O)CC1 ZINC001028333341 661462770 /nfs/dbraw/zinc/46/27/70/661462770.db2.gz IDMHBQLEYZVASH-GDBMZVCRSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)c2cc(CN3CCCC3)on2)C1 ZINC001028804511 661832449 /nfs/dbraw/zinc/83/24/49/661832449.db2.gz AGRQRWMXLCPDTN-AWEZNQCLSA-N 2 0 316.405 0.955 20 30 DCEDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCN(O)C3=O)cc2)CC1 ZINC000895160606 662126375 /nfs/dbraw/zinc/12/63/75/662126375.db2.gz BTSTXBRPLCSJTJ-MRXNPFEDSA-N 2 0 318.421 0.908 20 30 DCEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)NCC1(C(=O)N(C)C)CCCC1 ZINC000262575604 662491602 /nfs/dbraw/zinc/49/16/02/662491602.db2.gz ZZAWIZWCGRWVNH-CQSZACIVSA-N 2 0 323.485 0.752 20 30 DCEDRP C#CCN1CCC[C@@H](N2C(=O)N[C@@H](C[NH+]3CCCCC3)C2=O)C1 ZINC000925317592 662918442 /nfs/dbraw/zinc/91/84/42/662918442.db2.gz REWCVUHQXJDPTI-CABCVRRESA-N 2 0 318.421 0.490 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000900598511 663259456 /nfs/dbraw/zinc/25/94/56/663259456.db2.gz HIWNOINZTDHPKY-UHFFFAOYSA-N 2 0 305.426 0.825 20 30 DCEDRP C#Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000906911949 663650798 /nfs/dbraw/zinc/65/07/98/663650798.db2.gz LTJREWHNLLOZKE-UHFFFAOYSA-N 2 0 323.462 0.782 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CCOC)CC1 ZINC000917829102 665146988 /nfs/dbraw/zinc/14/69/88/665146988.db2.gz MNOGRFPJJYUMIZ-MRXNPFEDSA-N 2 0 322.453 0.494 20 30 DCEDRP C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000925452618 665169502 /nfs/dbraw/zinc/16/95/02/665169502.db2.gz XBVDZMYFBOXYGU-HUUCEWRRSA-N 2 0 322.453 0.837 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1OCC ZINC001691776464 1157586345 /nfs/dbraw/zinc/58/63/45/1157586345.db2.gz FCLPJYZVNDDORX-ARFHVFGLSA-N 2 0 307.438 0.415 20 30 DCEDRP CC#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001001426874 666050918 /nfs/dbraw/zinc/05/09/18/666050918.db2.gz XVMKYRPFWNMAGZ-DLBZAZTESA-N 2 0 319.449 0.701 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@@H](CC)OC)C1 ZINC001032837155 666288888 /nfs/dbraw/zinc/28/88/88/666288888.db2.gz RMBXCZHMNZKPSD-OAGGEKHMSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001003332777 666296126 /nfs/dbraw/zinc/29/61/26/666296126.db2.gz NCEHWZIYTYHMDI-HQVVEAJESA-N 2 0 317.433 0.454 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCOC)C[C@H]2C)CC1 ZINC000945185363 666578433 /nfs/dbraw/zinc/57/84/33/666578433.db2.gz ZXAYZSDQFWSAOG-NVXWUHKLSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH2+][C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1(C)C ZINC000995956177 666724541 /nfs/dbraw/zinc/72/45/41/666724541.db2.gz HDBURQXGVOVKFR-HNNXBMFYSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[N@H+]1CCCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001034208722 666955264 /nfs/dbraw/zinc/95/52/64/666955264.db2.gz DVVKRRNWUAOIOW-OAHLLOKOSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H](C)O)CC2)CC1 ZINC001034795420 667148255 /nfs/dbraw/zinc/14/82/55/667148255.db2.gz DAYXFBXKYUBNCX-DJIMGWMZSA-N 2 0 321.465 0.729 20 30 DCEDRP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001035579652 667383826 /nfs/dbraw/zinc/38/38/26/667383826.db2.gz LDIAQCHTALOTDY-OAHLLOKOSA-N 2 0 307.438 0.865 20 30 DCEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+]3CCC[C@H]3CO1)CC2 ZINC001035713225 667403294 /nfs/dbraw/zinc/40/32/94/667403294.db2.gz OYUADGOAHHMBJN-JKSUJKDBSA-N 2 0 317.433 0.407 20 30 DCEDRP CC1CC[NH+](CCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884188255 667493651 /nfs/dbraw/zinc/49/36/51/667493651.db2.gz CLAICTLZWNIQNC-CKDBGZEDSA-N 2 0 304.438 0.974 20 30 DCEDRP C#CCN1CCC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000884197730 667495670 /nfs/dbraw/zinc/49/56/70/667495670.db2.gz CRELHUYXIZJVMJ-HUUCEWRRSA-N 2 0 304.438 0.868 20 30 DCEDRP CC[NH+]1CCC(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884198972 667496557 /nfs/dbraw/zinc/49/65/57/667496557.db2.gz LZTMOQJTFMOBSJ-ISXOHVOVSA-N 2 0 304.438 0.974 20 30 DCEDRP CCO[C@@H](CC[NH+](C)C)CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884229936 667505595 /nfs/dbraw/zinc/50/55/95/667505595.db2.gz FLDRTIZVPBCIMC-GWUWNPHMSA-N 2 0 322.453 0.599 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C1)C2 ZINC000884248046 667508726 /nfs/dbraw/zinc/50/87/26/667508726.db2.gz KFQSNMXYLUBEAC-NWTDKLEGSA-N 2 0 302.422 0.712 20 30 DCEDRP CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@H]1C[NH+]2CCC1CC2 ZINC000884453090 667548237 /nfs/dbraw/zinc/54/82/37/667548237.db2.gz GDUYMSCUGGVGBT-GWUWNPHMSA-N 2 0 302.422 0.678 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000884642208 667581061 /nfs/dbraw/zinc/58/10/61/667581061.db2.gz CYUNBOLRQCLPBZ-GASCZTMLSA-N 2 0 320.437 0.106 20 30 DCEDRP C#CC[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000886353193 667759066 /nfs/dbraw/zinc/75/90/66/667759066.db2.gz DFAKUXFOKMPBQU-SJORKVTESA-N 2 0 321.465 0.805 20 30 DCEDRP C[N@@H+]1CCCN(CCNC(=[NH2+])NCCc2ccccc2)CC1 ZINC000104175059 667964037 /nfs/dbraw/zinc/96/40/37/667964037.db2.gz AYSGYJAAJZIHEW-UHFFFAOYSA-N 2 0 303.454 0.771 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000764667471 668457681 /nfs/dbraw/zinc/45/76/81/668457681.db2.gz RPJBIQDBRBWUOY-QGZVFWFLSA-N 2 0 317.433 0.987 20 30 DCEDRP COCC[N@H+](C)CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876746172 668500935 /nfs/dbraw/zinc/50/09/35/668500935.db2.gz UWQDDXLLVKQKFM-MRXNPFEDSA-N 2 0 316.405 0.439 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000876754111 668502491 /nfs/dbraw/zinc/50/24/91/668502491.db2.gz PBMZBEZJBUZEBB-XQQFMLRXSA-N 2 0 301.818 0.514 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000876782968 668510339 /nfs/dbraw/zinc/51/03/39/668510339.db2.gz XBYCSKJUBJOBNJ-YPMHNXCESA-N 2 0 302.850 0.456 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000876913303 668534855 /nfs/dbraw/zinc/53/48/55/668534855.db2.gz CPZHYAKAZCAABN-JXQTWKCFSA-N 2 0 314.861 0.789 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000876973807 668546082 /nfs/dbraw/zinc/54/60/82/668546082.db2.gz QERUKMVWHIBUHG-OLZOCXBDSA-N 2 0 301.818 0.826 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000877199388 668574783 /nfs/dbraw/zinc/57/47/83/668574783.db2.gz PAUUJJZHMLKXEI-LBPRGKRZSA-N 2 0 309.801 0.900 20 30 DCEDRP C[C@H]1C[NH+]=C(NN=Cc2ccc(N3CC[NH+](C)CC3)cc2)N1 ZINC000779792841 668937299 /nfs/dbraw/zinc/93/72/99/668937299.db2.gz PTNFMESEEIVARV-ZDUSSCGKSA-N 2 0 300.410 0.710 20 30 DCEDRP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@H+]1C)CCO2 ZINC000949048643 669943825 /nfs/dbraw/zinc/94/38/25/669943825.db2.gz ZGWJEHCJMPHZAT-HNNXBMFYSA-N 2 0 307.438 0.960 20 30 DCEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC000947795416 670012846 /nfs/dbraw/zinc/01/28/46/670012846.db2.gz CJDSAACFEOMMTM-ZBFHGGJFSA-N 2 0 317.437 0.661 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCN(C)CCC[NH+](C)C)CC1 ZINC000855416628 670710729 /nfs/dbraw/zinc/71/07/29/670710729.db2.gz PQLSZWXGMHWMLZ-UHFFFAOYSA-N 2 0 308.470 0.331 20 30 DCEDRP C#CC[N@H+](C)CCCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000867310794 672046301 /nfs/dbraw/zinc/04/63/01/672046301.db2.gz DQPJKFWZUNVPIY-UHFFFAOYSA-N 2 0 301.456 0.347 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1CNC(NCCN1CCOCC1)=[NH+]C ZINC000304669181 685211120 /nfs/dbraw/zinc/21/11/20/685211120.db2.gz BRZCDQOVDYLFPO-OAHLLOKOSA-N 2 0 311.474 0.358 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOC[C@@H]1CCOC1 ZINC000304761835 685212171 /nfs/dbraw/zinc/21/21/71/685212171.db2.gz UYSGLZSNGIUSKL-LSDHHAIUSA-N 2 0 312.458 0.818 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001001425323 690544698 /nfs/dbraw/zinc/54/46/98/690544698.db2.gz NQDVGDCZAMZTQG-HZPDHXFCSA-N 2 0 305.422 0.311 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001007360090 690668735 /nfs/dbraw/zinc/66/87/35/690668735.db2.gz KIUDCVGCBDYVRX-OAHLLOKOSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014476202 692028144 /nfs/dbraw/zinc/02/81/44/692028144.db2.gz ZGPYBGSYWNISPZ-AWEZNQCLSA-N 2 0 303.410 0.272 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014709170 692077991 /nfs/dbraw/zinc/07/79/91/692077991.db2.gz AVTZBOTXLXGXKR-WBVHZDCISA-N 2 0 319.449 0.844 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)C1=O ZINC001020028526 693654170 /nfs/dbraw/zinc/65/41/70/693654170.db2.gz BPHLZGKCHJWRRH-TUVASFSCSA-N 2 0 320.437 0.104 20 30 DCEDRP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407734 695020198 /nfs/dbraw/zinc/02/01/98/695020198.db2.gz UFNXRNIVPUKETL-DOTOQJQBSA-N 2 0 319.449 0.653 20 30 DCEDRP C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001570752275 1162612241 /nfs/dbraw/zinc/61/22/41/1162612241.db2.gz WDDFXZBLKHBDOU-HUUCEWRRSA-N 2 0 322.453 0.306 20 30 DCEDRP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001571582627 1162826303 /nfs/dbraw/zinc/82/63/03/1162826303.db2.gz JPODYDQXGZULDG-OAHLLOKOSA-N 2 0 309.454 0.847 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001571587837 1162832019 /nfs/dbraw/zinc/83/20/19/1162832019.db2.gz QVXMGSQDXOOSOO-JKSUJKDBSA-N 2 0 309.454 0.541 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CCCO)C2)CC1 ZINC001691184599 1157608468 /nfs/dbraw/zinc/60/84/68/1157608468.db2.gz RSVHHRVBTRLJRS-KOMQPUFPSA-N 2 0 307.438 0.198 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]C[C@H](C)OC)C2)CC1 ZINC001691184367 1157608985 /nfs/dbraw/zinc/60/89/85/1157608985.db2.gz JNNZGSYDUKRLKJ-ZOBUZTSGSA-N 2 0 321.465 0.851 20 30 DCEDRP C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001692038729 1157629770 /nfs/dbraw/zinc/62/97/70/1157629770.db2.gz ADBKQXOBSKLLLB-MRXNPFEDSA-N 2 0 309.454 0.637 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)[C@@H](CC)C(N)=O)CC1 ZINC001752121353 1157837147 /nfs/dbraw/zinc/83/71/47/1157837147.db2.gz IFOKSXLDYWCVKG-HNNXBMFYSA-N 2 0 322.453 0.034 20 30 DCEDRP COCC#CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001566603206 1160089613 /nfs/dbraw/zinc/08/96/13/1160089613.db2.gz ZMYYBQLHVVWTJT-UHFFFAOYSA-N 2 0 307.438 0.703 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001566649718 1160111250 /nfs/dbraw/zinc/11/12/50/1160111250.db2.gz FZOTWHXYZGRFTC-KRWDZBQOSA-N 2 0 320.481 0.618 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001566903025 1160181531 /nfs/dbraw/zinc/18/15/31/1160181531.db2.gz GFFCVHZUGMPODN-CQSZACIVSA-N 2 0 310.442 0.069 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001567237873 1160280715 /nfs/dbraw/zinc/28/07/15/1160280715.db2.gz GYTKIPMYWGCSHM-RDJZCZTQSA-N 2 0 307.438 0.607 20 30 DCEDRP C=CCN1CC[C@@H]([N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C)C1=O ZINC001569136590 1160955942 /nfs/dbraw/zinc/95/59/42/1160955942.db2.gz VLHFWZRGAKPSBR-UONOGXRCSA-N 2 0 310.442 0.162 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]C[C@@H](C)OC)CC1 ZINC001569268869 1160999559 /nfs/dbraw/zinc/99/95/59/1160999559.db2.gz KYLUQZUYWUINAS-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001569307079 1161006939 /nfs/dbraw/zinc/00/69/39/1161006939.db2.gz AZHOKXVMMXXECU-HZPDHXFCSA-N 2 0 307.438 0.605 20 30 DCEDRP CC#CC[NH2+]C[C@H](NC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001569323954 1161012273 /nfs/dbraw/zinc/01/22/73/1161012273.db2.gz NAKGHPZFRJNYRL-INIZCTEOSA-N 2 0 307.438 0.605 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001569839010 1161282517 /nfs/dbraw/zinc/28/25/17/1161282517.db2.gz NAUASBBHQVRVMS-JKSUJKDBSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001570285834 1161542630 /nfs/dbraw/zinc/54/26/30/1161542630.db2.gz OFMRSYNDGQRKDY-FUHWJXTLSA-N 2 0 321.465 0.827 20 30 DCEDRP CC#CC[C@H]([NH3+])C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001574961983 1163820737 /nfs/dbraw/zinc/82/07/37/1163820737.db2.gz CHQYQAITZRLHMY-INIZCTEOSA-N 2 0 307.438 0.831 20 30 DCEDRP COCC#CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001578950707 1165167262 /nfs/dbraw/zinc/16/72/62/1165167262.db2.gz ZDKMEXXDZXFRAD-UHFFFAOYSA-N 2 0 315.417 0.746 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC001580043151 1165483135 /nfs/dbraw/zinc/48/31/35/1165483135.db2.gz JEPDXXWBAKTTSO-VXSWHIBVSA-N 2 0 302.422 0.869 20 30 DCEDRP N#Cc1ccc(N2CC[C@@H](N3CCC(O)(C[NH3+])CC3)C2=O)cc1 ZINC001580067512 1165491083 /nfs/dbraw/zinc/49/10/83/1165491083.db2.gz VTKHRJSZUGQWHE-OAHLLOKOSA-N 2 0 314.389 0.449 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC001624327458 1171454541 /nfs/dbraw/zinc/45/45/41/1171454541.db2.gz FMBABORXPISXJQ-UHFFFAOYSA-N 2 0 306.410 0.756 20 30 DCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001647375591 1172850950 /nfs/dbraw/zinc/85/09/50/1172850950.db2.gz XGTSQOOAYWQYPN-WJEHIRDRSA-N 2 0 302.422 0.917 20 30 DCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N(CCC[NH3+])CC(F)(F)F)C2 ZINC001649976285 1173353928 /nfs/dbraw/zinc/35/39/28/1173353928.db2.gz FTTKEFLGPWYGSU-AKJDGMEZSA-N 2 0 318.343 0.865 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1OCC ZINC001656491715 1173866190 /nfs/dbraw/zinc/86/61/90/1173866190.db2.gz MLXVWQMJGUIJHE-IAGOWNOFSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CC[NH+]1CCN(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001660930961 1174072002 /nfs/dbraw/zinc/07/20/02/1174072002.db2.gz WTSYGFURHWPNKX-IAGOWNOFSA-N 2 0 320.481 0.923 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001661690712 1174146341 /nfs/dbraw/zinc/14/63/41/1174146341.db2.gz UUSJJAXAWSGRLJ-MCIONIFRSA-N 2 0 310.442 0.254 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001662696108 1174233032 /nfs/dbraw/zinc/23/30/32/1174233032.db2.gz QVXWUSZWBDHIBK-CQSZACIVSA-N 2 0 303.410 0.130 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001664853191 1174465958 /nfs/dbraw/zinc/46/59/58/1174465958.db2.gz GXVVXCCRZCBBLZ-HOTGVXAUSA-N 2 0 307.438 0.368 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001667836929 1174721734 /nfs/dbraw/zinc/72/17/34/1174721734.db2.gz KSBQWAWMLHQYJV-JKSUJKDBSA-N 2 0 307.438 0.483 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]C[C@H](F)CC)CC1 ZINC001667939505 1174736822 /nfs/dbraw/zinc/73/68/22/1174736822.db2.gz LXWZVFQAGSXTJR-CABCVRRESA-N 2 0 313.417 0.146 20 30 DCEDRP COCC#CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001672434145 1175108681 /nfs/dbraw/zinc/10/86/81/1175108681.db2.gz UYLWCPUYADKXOG-ZACQAIPSSA-N 2 0 319.449 0.368 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCO1 ZINC001673288002 1175185148 /nfs/dbraw/zinc/18/51/48/1175185148.db2.gz CSCBNWCXGLLPOV-DLBZAZTESA-N 2 0 321.465 0.947 20 30 DCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001673672471 1175222034 /nfs/dbraw/zinc/22/20/34/1175222034.db2.gz UOGFRHNUOKBHKS-RDJZCZTQSA-N 2 0 307.438 0.457 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@](CO)([NH2+]CC)C2)CC1 ZINC001673708551 1175226601 /nfs/dbraw/zinc/22/66/01/1175226601.db2.gz BJPWZIAJJORHDI-QGZVFWFLSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CCC[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCOCC1 ZINC001673742758 1175230584 /nfs/dbraw/zinc/23/05/84/1175230584.db2.gz USSKOQDSVWACNK-UHFFFAOYSA-N 2 0 307.438 0.607 20 30 DCEDRP C#CCC[NH2+][C@H](C)[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001675614487 1175380837 /nfs/dbraw/zinc/38/08/37/1175380837.db2.gz PAFDVMCKJCOAPH-IAGOWNOFSA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001677096398 1175525882 /nfs/dbraw/zinc/52/58/82/1175525882.db2.gz WWIAPBZMXVRFFZ-CVEARBPZSA-N 2 0 309.454 0.539 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001677125985 1175531584 /nfs/dbraw/zinc/53/15/84/1175531584.db2.gz RMAWMFOQXMHZIG-KRWDZBQOSA-N 2 0 317.433 0.794 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CCCOC)C2)CC1 ZINC001677448285 1175564612 /nfs/dbraw/zinc/56/46/12/1175564612.db2.gz CFJXYWSNGOETFF-UHFFFAOYSA-N 2 0 321.465 0.947 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001687890203 1176298744 /nfs/dbraw/zinc/29/87/44/1176298744.db2.gz FBTJRDUDWYKLIO-HRCADAONSA-N 2 0 306.454 0.923 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]C[C@@H](C)O)C2CC2)CC1 ZINC001690180821 1177188639 /nfs/dbraw/zinc/18/86/39/1177188639.db2.gz WJCABYJKCIRPON-CJNGLKHVSA-N 2 0 307.438 0.197 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001690628451 1177286901 /nfs/dbraw/zinc/28/69/01/1177286901.db2.gz NBWPBLJADJNLSQ-HOTGVXAUSA-N 2 0 309.454 0.993 20 30 DCEDRP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001692036663 1177405757 /nfs/dbraw/zinc/40/57/57/1177405757.db2.gz NPFQMSOIXGMNLN-MRXNPFEDSA-N 2 0 307.438 0.389 20 30 DCEDRP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001692234331 1177453287 /nfs/dbraw/zinc/45/32/87/1177453287.db2.gz TXEYOAQLVJVVPY-BZUAXINKSA-N 2 0 307.438 0.245 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001698801288 1177666150 /nfs/dbraw/zinc/66/61/50/1177666150.db2.gz LBTIZEOMPQISJE-UHFFFAOYSA-N 2 0 321.465 0.997 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001698829329 1177685575 /nfs/dbraw/zinc/68/55/75/1177685575.db2.gz OWCMUGJVBYZUFG-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)C1([NH+](C)C)CCC1 ZINC001699184504 1177923687 /nfs/dbraw/zinc/92/36/87/1177923687.db2.gz NPXMPNOXIJZPTQ-AWEZNQCLSA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699757208 1178277811 /nfs/dbraw/zinc/27/78/11/1178277811.db2.gz OWBFGXVNFBHBFL-YESZJQIVSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCOCC1 ZINC001699881511 1178329626 /nfs/dbraw/zinc/32/96/26/1178329626.db2.gz ZWHQGZVIXMDVAF-HNNXBMFYSA-N 2 0 305.422 0.216 20 30 DCEDRP C=CC[N@H+]1CC[C@](O)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001699897923 1178349448 /nfs/dbraw/zinc/34/94/48/1178349448.db2.gz KHMDLGZKAPYCBQ-KRWDZBQOSA-N 2 0 314.389 0.995 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001700016950 1178431066 /nfs/dbraw/zinc/43/10/66/1178431066.db2.gz LQEXHRVSZLFUAC-BRWVUGGUSA-N 2 0 319.449 0.653 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001700181426 1178521676 /nfs/dbraw/zinc/52/16/76/1178521676.db2.gz VNFAVKGIPXUBMP-GJZGRUSLSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001700300741 1178571975 /nfs/dbraw/zinc/57/19/75/1178571975.db2.gz COXQDNVCFZTXNC-JKSUJKDBSA-N 2 0 319.449 0.580 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001700308581 1178575376 /nfs/dbraw/zinc/57/53/76/1178575376.db2.gz RYFMDSBTLQMSMQ-UHFFFAOYSA-N 2 0 321.465 0.829 20 30 DCEDRP CC#CC[NH+]1CCC(CO)(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001700339264 1178588345 /nfs/dbraw/zinc/58/83/45/1178588345.db2.gz SKKDTDJMKAZKHX-UHFFFAOYSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C2CC[NH+](CC#C)CC2)CCO1 ZINC001700611944 1178680182 /nfs/dbraw/zinc/68/01/82/1178680182.db2.gz SNMGPFDZGGVYEV-WBVHZDCISA-N 2 0 317.433 0.170 20 30 DCEDRP CC#CC[NH2+]CCCOCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001700716120 1178720239 /nfs/dbraw/zinc/72/02/39/1178720239.db2.gz MMJBBPDGJAIVLL-HOTGVXAUSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001700848372 1178776113 /nfs/dbraw/zinc/77/61/13/1178776113.db2.gz DSTNKLUGSGKOMX-ZIAGYGMSSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001700939791 1178817680 /nfs/dbraw/zinc/81/76/80/1178817680.db2.gz URBHPCFLRDJGPQ-SJORKVTESA-N 2 0 321.465 0.826 20 30 DCEDRP COCC#CC[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001701024216 1178881367 /nfs/dbraw/zinc/88/13/67/1178881367.db2.gz ZGQKGYQRXBPIIZ-QQFBHYJXSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001707211342 1180438196 /nfs/dbraw/zinc/43/81/96/1180438196.db2.gz CMXOQJDKKHSDOZ-INIZCTEOSA-N 2 0 307.438 0.391 20 30 DCEDRP CC[N@@H+](CC#CCOC)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001713021402 1180630870 /nfs/dbraw/zinc/63/08/70/1180630870.db2.gz SSICQCVZVVOTGC-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CCC[NH+]1CCN(CCCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001713076971 1180668899 /nfs/dbraw/zinc/66/88/99/1180668899.db2.gz LXAOLYXQGAUADI-INIZCTEOSA-N 2 0 306.454 0.085 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)COC)C2)CC1 ZINC001713175451 1180707826 /nfs/dbraw/zinc/70/78/26/1180707826.db2.gz CSYSIZZBGZCQIN-FVQBIDKESA-N 2 0 307.438 0.603 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001713195752 1180716211 /nfs/dbraw/zinc/71/62/11/1180716211.db2.gz ZLIIDPSQSJMKQV-GASCZTMLSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001713205241 1180719578 /nfs/dbraw/zinc/71/95/78/1180719578.db2.gz GELZICVNSTWXEB-MCIONIFRSA-N 2 0 320.437 0.010 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001713311455 1180761403 /nfs/dbraw/zinc/76/14/03/1180761403.db2.gz QRLYSKZECBVSHS-HNNXBMFYSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001713380476 1180791633 /nfs/dbraw/zinc/79/16/33/1180791633.db2.gz FGSGTQIKMPAGPL-GJZGRUSLSA-N 2 0 322.453 0.401 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001713888710 1181130001 /nfs/dbraw/zinc/13/00/01/1181130001.db2.gz ADEXMYOKNJGXCF-SJORKVTESA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001714064268 1181230853 /nfs/dbraw/zinc/23/08/53/1181230853.db2.gz BILDIXYIHLTRNA-IXDOHACOSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001714604684 1181435276 /nfs/dbraw/zinc/43/52/76/1181435276.db2.gz CZPBYQXWRMZPHZ-GDBMZVCRSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]C[C@@H](C)OC)CC1 ZINC001714878730 1181582230 /nfs/dbraw/zinc/58/22/30/1181582230.db2.gz HTKCRKVQIPDROZ-LSDHHAIUSA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715056216 1181675403 /nfs/dbraw/zinc/67/54/03/1181675403.db2.gz JZGIJUCHDMXAIN-HZSPNIEDSA-N 2 0 310.442 0.113 20 30 DCEDRP CC[N@H+](C)CCC(=O)NC[C@@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001715609745 1181896315 /nfs/dbraw/zinc/89/63/15/1181896315.db2.gz UQNILIDBQJLJEF-KRWDZBQOSA-N 2 0 317.433 0.447 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001715644843 1181919885 /nfs/dbraw/zinc/91/98/85/1181919885.db2.gz GVAYJJGBRAMYOE-DZGCQCFKSA-N 2 0 322.453 0.115 20 30 DCEDRP COCC#CC[NH2+]C/C=C\CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001715875903 1182069275 /nfs/dbraw/zinc/06/92/75/1182069275.db2.gz SRNVIEPZSFPGLU-SREVYHEPSA-N 2 0 309.454 0.876 20 30 DCEDRP C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001716086377 1182182349 /nfs/dbraw/zinc/18/23/49/1182182349.db2.gz VWPCHEFVWDUZIH-ZBFHGGJFSA-N 2 0 307.438 0.341 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001716762926 1182517349 /nfs/dbraw/zinc/51/73/49/1182517349.db2.gz DJQORKOFISOCPL-ZIAGYGMSSA-N 2 0 310.442 0.209 20 30 DCEDRP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001716874578 1182555312 /nfs/dbraw/zinc/55/53/12/1182555312.db2.gz MGJXRXMGSPDRPV-WMZOPIPTSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001717109823 1182680552 /nfs/dbraw/zinc/68/05/52/1182680552.db2.gz MVXDJYGZAGQYIM-HOTGVXAUSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)CCC[NH+](C)C)CCO2 ZINC001717346211 1182792915 /nfs/dbraw/zinc/79/29/15/1182792915.db2.gz YDLKZKRQEJTZCT-UHFFFAOYSA-N 2 0 307.438 0.655 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CCCOC)CC1 ZINC001717500833 1182866171 /nfs/dbraw/zinc/86/61/71/1182866171.db2.gz YLTCNYHQMLIELP-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001717552116 1182896750 /nfs/dbraw/zinc/89/67/50/1182896750.db2.gz DTKQCDHGHNPVSV-OAHLLOKOSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001723311658 1184284690 /nfs/dbraw/zinc/28/46/90/1184284690.db2.gz NBHGWOAJFUSYOY-INIZCTEOSA-N 2 0 319.449 0.749 20 30 DCEDRP CC#CC[NH2+]C1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001724630412 1184481503 /nfs/dbraw/zinc/48/15/03/1184481503.db2.gz CPJJATWUCVUBNA-OAHLLOKOSA-N 2 0 306.454 0.132 20 30 DCEDRP COCC#CC[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001724761422 1184544114 /nfs/dbraw/zinc/54/41/14/1184544114.db2.gz XIVSHADYWVHLAT-UHFFFAOYSA-N 2 0 307.438 0.512 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CCO1 ZINC001724812732 1184569013 /nfs/dbraw/zinc/56/90/13/1184569013.db2.gz KAHJIVBHJYDQHM-DLBZAZTESA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCC[NH2+][C@H](C)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001725329177 1184772342 /nfs/dbraw/zinc/77/23/42/1184772342.db2.gz PGDOQMJSSAIEDR-HUUCEWRRSA-N 2 0 307.438 0.864 20 30 DCEDRP COCC#CC[NH2+]CCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001725386054 1184796184 /nfs/dbraw/zinc/79/61/84/1184796184.db2.gz CYHJYBNFAORVJV-HNNXBMFYSA-N 2 0 309.454 0.995 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001731485655 1185355799 /nfs/dbraw/zinc/35/57/99/1185355799.db2.gz SJQRGGKDDRROLP-YHUYYLMFSA-N 2 0 307.438 0.603 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001731508664 1185368400 /nfs/dbraw/zinc/36/84/00/1185368400.db2.gz OXUPUUJIVCPKNB-IRXDYDNUSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001731595462 1185404735 /nfs/dbraw/zinc/40/47/35/1185404735.db2.gz VBZDXMTYJXSBMI-MELADBBJSA-N 2 0 310.442 0.113 20 30 DCEDRP C=CCC[NH+]1CC(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001732128950 1185688210 /nfs/dbraw/zinc/68/82/10/1185688210.db2.gz NXYDMTQSSAEZLH-UHFFFAOYSA-N 2 0 309.454 0.969 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCCC1 ZINC001732396171 1185797659 /nfs/dbraw/zinc/79/76/59/1185797659.db2.gz ZOZJTEMVFSUWFD-UHFFFAOYSA-N 2 0 321.465 0.997 20 30 DCEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001733189430 1186174846 /nfs/dbraw/zinc/17/48/46/1186174846.db2.gz DIDXNDMEPQXTSJ-HOCLYGCPSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001733367302 1186241534 /nfs/dbraw/zinc/24/15/34/1186241534.db2.gz YCYQMCUREVUJFJ-ZBFHGGJFSA-N 2 0 307.438 0.388 20 30 DCEDRP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001733399599 1186256059 /nfs/dbraw/zinc/25/60/59/1186256059.db2.gz PTLGCANUKMEAQI-KRWDZBQOSA-N 2 0 320.481 0.570 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001733406091 1186259768 /nfs/dbraw/zinc/25/97/68/1186259768.db2.gz LSBWYMYGNZQNGL-QGZVFWFLSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001733554426 1186330840 /nfs/dbraw/zinc/33/08/40/1186330840.db2.gz WMSJUYKMJVZOLA-HOTGVXAUSA-N 2 0 321.465 0.662 20 30 DCEDRP C=CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001733618172 1186370971 /nfs/dbraw/zinc/37/09/71/1186370971.db2.gz LFMPJKRZJFDLFY-MRXNPFEDSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CCO1 ZINC001733751326 1186431733 /nfs/dbraw/zinc/43/17/33/1186431733.db2.gz IGBNKIQHCJOMKG-SJORKVTESA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001733917989 1186497479 /nfs/dbraw/zinc/49/74/79/1186497479.db2.gz FCSLSXGQJJDANU-HOTGVXAUSA-N 2 0 321.465 0.683 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001734536255 1186681610 /nfs/dbraw/zinc/68/16/10/1186681610.db2.gz IEINORDJXDHJLN-CVEARBPZSA-N 2 0 309.454 0.539 20 30 DCEDRP C=CCC[NH+]1CCN(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001752365774 1188418382 /nfs/dbraw/zinc/41/83/82/1188418382.db2.gz JLUJETLEWSGYKY-UHFFFAOYSA-N 2 0 308.470 0.781 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001752629411 1188430149 /nfs/dbraw/zinc/43/01/49/1188430149.db2.gz WZXLWXVVTRFZSO-BZUAXINKSA-N 2 0 305.422 0.215 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001752872178 1188453046 /nfs/dbraw/zinc/45/30/46/1188453046.db2.gz AZFWNOWIFUZXDM-KGLIPLIRSA-N 2 0 310.442 0.256 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001752947418 1188466502 /nfs/dbraw/zinc/46/65/02/1188466502.db2.gz DSLIKLQCHDAIQY-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001753767898 1188653094 /nfs/dbraw/zinc/65/30/94/1188653094.db2.gz PVLBENFRPSTBLL-HUUCEWRRSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CCNC(=O)C[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001753794464 1188655884 /nfs/dbraw/zinc/65/58/84/1188655884.db2.gz CLZNYRWKXPHCFN-HNNXBMFYSA-N 2 0 322.453 0.048 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]C[C@H](C)O)C(C)C)CC1 ZINC001753846135 1188663994 /nfs/dbraw/zinc/66/39/94/1188663994.db2.gz ZQERUJVVNMJFJT-GOEBONIOSA-N 2 0 309.454 0.443 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001754756207 1188923766 /nfs/dbraw/zinc/92/37/66/1188923766.db2.gz JCZMEDBZKHEHKV-KRWDZBQOSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001755088315 1189018724 /nfs/dbraw/zinc/01/87/24/1189018724.db2.gz RNCCBJFTJYPPKH-KRWDZBQOSA-N 2 0 309.454 0.847 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001755138502 1189034247 /nfs/dbraw/zinc/03/42/47/1189034247.db2.gz BDOCWIZBCMURGP-JKSUJKDBSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]([C@H](C)[NH2+]CCC)C2)CC1 ZINC001755448898 1189115711 /nfs/dbraw/zinc/11/57/11/1189115711.db2.gz YUNIDVYQJIDHMQ-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001755478344 1189123205 /nfs/dbraw/zinc/12/32/05/1189123205.db2.gz YMWXJCDJUGWPJM-RBSFLKMASA-N 2 0 322.453 0.209 20 30 DCEDRP C#CCC[NH2+][C@H](CO)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001755643367 1189172216 /nfs/dbraw/zinc/17/22/16/1189172216.db2.gz JZZKCBRVAATMKN-INIZCTEOSA-N 2 0 307.438 0.198 20 30 DCEDRP C=CCNC(=O)C[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001755699320 1189188995 /nfs/dbraw/zinc/18/89/95/1189188995.db2.gz AZNAQGWQZCQKNN-RHSMWYFYSA-N 2 0 322.453 0.354 20 30 DCEDRP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001755801210 1189222214 /nfs/dbraw/zinc/22/22/14/1189222214.db2.gz WQVVZVYTJZWQJY-JKSUJKDBSA-N 2 0 307.438 0.103 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1=O ZINC001127701543 751645541 /nfs/dbraw/zinc/64/55/41/751645541.db2.gz SVKBQZKEECSHKO-RRFJBIMHSA-N 2 0 322.453 0.209 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001098532911 747019849 /nfs/dbraw/zinc/01/98/49/747019849.db2.gz KACXHTXHUHFELL-MRXNPFEDSA-N 2 0 321.465 0.637 20 30 DCEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)CCCn2ccnc2)CC1 ZINC001098582335 747549206 /nfs/dbraw/zinc/54/92/06/747549206.db2.gz PVSDGURDIFYNBG-UHFFFAOYSA-N 2 0 318.421 0.582 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001100678182 747602544 /nfs/dbraw/zinc/60/25/44/747602544.db2.gz BXAFBMMHTVTUFJ-WLYUNCDWSA-N 2 0 322.453 0.115 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105010452 748003361 /nfs/dbraw/zinc/00/33/61/748003361.db2.gz MDMLMBHCHGMRQO-ZACQAIPSSA-N 2 0 321.465 0.662 20 30 DCEDRP COCC#CC[NH2+]CC1(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001167746608 748063369 /nfs/dbraw/zinc/06/33/69/748063369.db2.gz QHRQWINDVYGDBX-UHFFFAOYSA-N 2 0 319.449 0.608 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001203215132 748627848 /nfs/dbraw/zinc/62/78/48/748627848.db2.gz RPZVSRIAZYVINH-CQSZACIVSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)c2ccn3c(C)cnc3c2)[C@@H](O)C1 ZINC001083461000 749797650 /nfs/dbraw/zinc/79/76/50/749797650.db2.gz IRQIBGPEUQZLCP-CABCVRRESA-N 2 0 314.389 0.994 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001101033089 749973226 /nfs/dbraw/zinc/97/32/26/749973226.db2.gz AUTPPPWFSOGAPA-UHFFFAOYSA-N 2 0 321.465 0.997 20 30 DCEDRP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077128086 750214439 /nfs/dbraw/zinc/21/44/39/750214439.db2.gz WMJJZARKICNVHH-ARFHVFGLSA-N 2 0 307.438 0.149 20 30 DCEDRP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001046033365 753437853 /nfs/dbraw/zinc/43/78/53/753437853.db2.gz VUEGPHQPHKZONO-BRWVUGGUSA-N 2 0 320.481 0.731 20 30 DCEDRP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC001046064020 753457284 /nfs/dbraw/zinc/45/72/84/753457284.db2.gz CLHRKETVKXWEEO-DLBZAZTESA-N 2 0 318.465 0.322 20 30 DCEDRP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046081843 753470769 /nfs/dbraw/zinc/47/07/69/753470769.db2.gz KOGVNDFXZFBCKB-HZPDHXFCSA-N 2 0 306.454 0.343 20 30 DCEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083833339 753962711 /nfs/dbraw/zinc/96/27/11/753962711.db2.gz WECNCRPHPXARKL-PMPSAXMXSA-N 2 0 309.454 0.987 20 30 DCEDRP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001047384328 754232158 /nfs/dbraw/zinc/23/21/58/754232158.db2.gz WJMNDLNKQLOQPI-PMPSAXMXSA-N 2 0 307.438 0.408 20 30 DCEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001047483127 754323286 /nfs/dbraw/zinc/32/32/86/754323286.db2.gz XWPBWTXEZLCRBW-GJZGRUSLSA-N 2 0 307.438 0.388 20 30 DCEDRP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833283 754968026 /nfs/dbraw/zinc/96/80/26/754968026.db2.gz MSUYTVGSGVCSIZ-TWMKSMIVSA-N 2 0 319.449 0.816 20 30 DCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001048891839 755000779 /nfs/dbraw/zinc/00/07/79/755000779.db2.gz XHXXWKNCPLWFLQ-IYBDPMFKSA-N 2 0 319.449 0.368 20 30 DCEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080164641 756118720 /nfs/dbraw/zinc/11/87/20/756118720.db2.gz LAAZMLOARWJRPR-RJZXRHAOSA-N 2 0 305.422 0.472 20 30 DCEDRP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083620 757481502 /nfs/dbraw/zinc/48/15/02/757481502.db2.gz CIYBGALFKSJEER-IXDOHACOSA-N 2 0 319.449 0.816 20 30 DCEDRP C=CCC[NH+]1CCN([C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001052118795 759192714 /nfs/dbraw/zinc/19/27/14/759192714.db2.gz XUYJHFLJYHPFKC-KRWDZBQOSA-N 2 0 320.481 0.877 20 30 DCEDRP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001098391737 759217455 /nfs/dbraw/zinc/21/74/55/759217455.db2.gz HLDFWAXUERQXIE-INIZCTEOSA-N 2 0 309.454 0.798 20 30 DCEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085732058 759246772 /nfs/dbraw/zinc/24/67/72/759246772.db2.gz QGHVZEVAYTYTPP-NDUQDZPOSA-N 2 0 319.449 0.958 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CCC([N@H+](CCC)CCO)CC1 ZINC001098396070 759458199 /nfs/dbraw/zinc/45/81/99/759458199.db2.gz NTRDJEZYTDZTKN-KRWDZBQOSA-N 2 0 321.465 0.779 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2[C@@H](C)COC)CC1 ZINC001085986627 759547430 /nfs/dbraw/zinc/54/74/30/759547430.db2.gz JCGCBQNUVYVBSX-DOTOQJQBSA-N 2 0 321.465 0.899 20 30 DCEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001086373071 760110524 /nfs/dbraw/zinc/11/05/24/760110524.db2.gz KCDLGSACGPBMPV-VGWMRTNUSA-N 2 0 307.438 0.910 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155790285 760171923 /nfs/dbraw/zinc/17/19/23/760171923.db2.gz JCIFYSYUGLJWLB-HNNXBMFYSA-N 2 0 324.469 0.601 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC#CCOC)C[C@H]21 ZINC001115300797 760758586 /nfs/dbraw/zinc/75/85/86/760758586.db2.gz ZVPUZCQOVKQZLQ-VVLHAWIVSA-N 2 0 319.449 0.557 20 30 DCEDRP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169809704 760869694 /nfs/dbraw/zinc/86/96/94/760869694.db2.gz JHHDUBHYJOWJTP-HZPDHXFCSA-N 2 0 309.454 0.995 20 30 DCEDRP COCC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](C)C)C2 ZINC001108749857 761033081 /nfs/dbraw/zinc/03/30/81/761033081.db2.gz MYVXOWQIKFREDH-BBWFWOEESA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)COCC[NH+](C)C)C2 ZINC001108800621 761055499 /nfs/dbraw/zinc/05/54/99/761055499.db2.gz IQENEYFHAPXHJE-XHSDSOJGSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001070209074 761136509 /nfs/dbraw/zinc/13/65/09/761136509.db2.gz LFYNKPVYXOXKOS-CABCVRRESA-N 2 0 318.425 0.290 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148748580 768035388 /nfs/dbraw/zinc/03/53/88/768035388.db2.gz VBPGQZXQRQPAKU-HNNXBMFYSA-N 2 0 305.422 0.122 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC001098660725 762705664 /nfs/dbraw/zinc/70/56/64/762705664.db2.gz XHXPNJNHKNGPLN-MRXNPFEDSA-N 2 0 319.449 0.797 20 30 DCEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099871435 763090443 /nfs/dbraw/zinc/09/04/43/763090443.db2.gz DBHNFRUWGIOFNY-LSDHHAIUSA-N 2 0 309.454 0.988 20 30 DCEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001130047674 763103764 /nfs/dbraw/zinc/10/37/64/763103764.db2.gz NJCLGKJMOLFTAP-CABCVRRESA-N 2 0 320.441 0.538 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](O)C1 ZINC001099938225 763143186 /nfs/dbraw/zinc/14/31/86/763143186.db2.gz SKAIAVKHHJBFMH-HZPDHXFCSA-N 2 0 321.465 0.826 20 30 DCEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099972464 763177353 /nfs/dbraw/zinc/17/73/53/763177353.db2.gz WYLXALVJOYOZGO-GJZGRUSLSA-N 2 0 309.454 0.846 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100014081 763218861 /nfs/dbraw/zinc/21/88/61/763218861.db2.gz YJMRPSIDYNMPNZ-CABCVRRESA-N 2 0 309.454 0.539 20 30 DCEDRP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001102495625 764669210 /nfs/dbraw/zinc/66/92/10/764669210.db2.gz FEPGSIRQBCIRSA-HUUCEWRRSA-N 2 0 324.469 0.315 20 30 DCEDRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001133870880 765199873 /nfs/dbraw/zinc/19/98/73/765199873.db2.gz WNNHUWIYRUUDOX-CJNGLKHVSA-N 2 0 300.406 0.962 20 30 DCEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001134391860 765510502 /nfs/dbraw/zinc/51/05/02/765510502.db2.gz IYANQLAZMBOCRN-CABCVRRESA-N 2 0 319.453 0.955 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134759336 765658400 /nfs/dbraw/zinc/65/84/00/765658400.db2.gz MHUXRXRAJCKUIF-GJZGRUSLSA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135390242 765920235 /nfs/dbraw/zinc/92/02/35/765920235.db2.gz IWINVGQAIVGSHU-KGLIPLIRSA-N 2 0 324.469 0.503 20 30 DCEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001135805308 766124772 /nfs/dbraw/zinc/12/47/72/766124772.db2.gz XPFSRNNGDPJOPD-CABCVRRESA-N 2 0 309.454 0.993 20 30 DCEDRP C=C(Cl)CN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090540495 766302867 /nfs/dbraw/zinc/30/28/67/766302867.db2.gz PGFFUTVKIKBYAZ-KBPBESRZSA-N 2 0 315.845 0.632 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC=C)C[C@H]2O)CC1 ZINC001090829682 766647605 /nfs/dbraw/zinc/64/76/05/766647605.db2.gz DOEOTSOFKYRYMP-DLBZAZTESA-N 2 0 319.449 0.459 20 30 DCEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001098495506 767046584 /nfs/dbraw/zinc/04/65/84/767046584.db2.gz YESVHCYMPHCPFC-AWEZNQCLSA-N 2 0 318.421 0.507 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146340110 767436927 /nfs/dbraw/zinc/43/69/27/767436927.db2.gz OHBAMEZCRFDQKS-ZIAGYGMSSA-N 2 0 310.442 0.257 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001147211849 767674342 /nfs/dbraw/zinc/67/43/42/767674342.db2.gz HTXLUECKVAJJNZ-OAHLLOKOSA-N 2 0 305.422 0.265 20 30 DCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001121969364 767684122 /nfs/dbraw/zinc/68/41/22/767684122.db2.gz QPKQUPQTCYDVME-UHFFFAOYSA-N 2 0 319.449 0.747 20 30 DCEDRP C#CC[NH+]1CCC(CCOC)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001151408624 769333124 /nfs/dbraw/zinc/33/31/24/769333124.db2.gz NMZNGPQDECAOQC-UHFFFAOYSA-N 2 0 307.438 0.703 20 30 DCEDRP C=CC[N@H+]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](O)C1 ZINC001099938554 769427502 /nfs/dbraw/zinc/42/75/02/769427502.db2.gz XNROIFHQONNZDD-LSDHHAIUSA-N 2 0 309.454 0.988 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2c(C)noc2C)CC1 ZINC001152324451 769528255 /nfs/dbraw/zinc/52/82/55/769528255.db2.gz VPRLGHGZKYVJHP-UHFFFAOYSA-N 2 0 318.421 0.842 20 30 DCEDRP N#Cc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001236310418 769993103 /nfs/dbraw/zinc/99/31/03/769993103.db2.gz YTYCYXDZILYSGU-UHFFFAOYSA-N 2 0 303.410 0.174 20 30 DCEDRP N#Cc1cc(NC(=S)NCC[NH3+])ccc1N1CC[NH2+]CC1 ZINC001239344780 770210998 /nfs/dbraw/zinc/21/09/98/770210998.db2.gz VNEJWWCKWVUOHH-UHFFFAOYSA-N 2 0 304.423 0.213 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCOC(C)C)CC1 ZINC001176925781 770225929 /nfs/dbraw/zinc/22/59/29/770225929.db2.gz BOOPZHZXXVQYDL-UHFFFAOYSA-N 2 0 309.454 0.853 20 30 DCEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001156063746 770709547 /nfs/dbraw/zinc/70/95/47/770709547.db2.gz DWGWNIJHFHSILH-OAHLLOKOSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001179179384 770954155 /nfs/dbraw/zinc/95/41/55/770954155.db2.gz VGFKNXISGWHFRU-SWOOZJHCSA-N 2 0 317.433 0.452 20 30 DCEDRP CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)C(=O)NO ZINC001157304233 771583519 /nfs/dbraw/zinc/58/35/19/771583519.db2.gz WNBKNOMOQSVOLF-STQMWFEESA-N 2 0 316.446 0.518 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001183390859 771642514 /nfs/dbraw/zinc/64/25/14/771642514.db2.gz LBXJTIROFOBDMI-CABCVRRESA-N 2 0 322.453 0.354 20 30 DCEDRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)C[C@@H]([NH3+])c1ccc(C#N)cc1 ZINC001157720468 771658406 /nfs/dbraw/zinc/65/84/06/771658406.db2.gz JTZOTMXYBVOWTB-LSDHHAIUSA-N 2 0 302.378 0.395 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001157886778 771686895 /nfs/dbraw/zinc/68/68/95/771686895.db2.gz MOJWQOYLFOWPEN-CQSZACIVSA-N 2 0 310.442 0.257 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001183978256 771727954 /nfs/dbraw/zinc/72/79/54/771727954.db2.gz RPFCZABDBBEGGL-OAHLLOKOSA-N 2 0 312.373 0.788 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001159854209 771968237 /nfs/dbraw/zinc/96/82/37/771968237.db2.gz MMPXMZCIXWNIQP-AWEZNQCLSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001160273427 772017701 /nfs/dbraw/zinc/01/77/01/772017701.db2.gz MLRGZGUECOACAI-GJZGRUSLSA-N 2 0 324.469 0.647 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C)C1=O ZINC001160427269 772036004 /nfs/dbraw/zinc/03/60/04/772036004.db2.gz NXRYNUPQGOEOGU-GJZGRUSLSA-N 2 0 324.469 0.455 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC12CCOCC2 ZINC001186480850 772045106 /nfs/dbraw/zinc/04/51/06/772045106.db2.gz FMRZFJFDGRBVFL-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[NH+](CC)CC)CC12CCOCC2 ZINC001186530931 772053025 /nfs/dbraw/zinc/05/30/25/772053025.db2.gz RQIDULCLARCSAW-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)C1=O ZINC001186824927 772097198 /nfs/dbraw/zinc/09/71/98/772097198.db2.gz RBCRABUZMOJNDR-HUUCEWRRSA-N 2 0 322.453 0.306 20 30 DCEDRP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001187305285 772171838 /nfs/dbraw/zinc/17/18/38/772171838.db2.gz ULHJNCDUNJOEHJ-HRCADAONSA-N 2 0 307.438 0.816 20 30 DCEDRP N#Cc1ccc(O[C@H]2CCCN(C(=O)C[NH2+]CCC[NH3+])C2)cc1 ZINC001161324647 772205432 /nfs/dbraw/zinc/20/54/32/772205432.db2.gz QYCFNNUXXVEHLJ-INIZCTEOSA-N 2 0 316.405 0.866 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]C[C@@H](C)OC)C2)CC1 ZINC001188091360 772264631 /nfs/dbraw/zinc/26/46/31/772264631.db2.gz LRFDFSPXBVHHAW-GDBMZVCRSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163232119 772485612 /nfs/dbraw/zinc/48/56/12/772485612.db2.gz NNBJBAZXJQWUAC-MRXNPFEDSA-N 2 0 307.438 0.607 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801609 772543332 /nfs/dbraw/zinc/54/33/32/772543332.db2.gz IETYUILZAUYVIT-JKSUJKDBSA-N 2 0 317.433 0.265 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001163851165 772581629 /nfs/dbraw/zinc/58/16/29/772581629.db2.gz HTATYNKNIPTPIV-CQSZACIVSA-N 2 0 324.469 0.647 20 30 DCEDRP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001164536498 772675342 /nfs/dbraw/zinc/67/53/42/772675342.db2.gz SRTPQZUVYUGODQ-HNNXBMFYSA-N 2 0 313.442 0.394 20 30 DCEDRP COCC#CC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001165484493 772742469 /nfs/dbraw/zinc/74/24/69/772742469.db2.gz FUOJEZWUPANROU-MRXNPFEDSA-N 2 0 321.465 0.853 20 30 DCEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001191430623 772767405 /nfs/dbraw/zinc/76/74/05/772767405.db2.gz GGOMHZLEZIMCAE-LPMVOBIJSA-N 2 0 319.449 0.958 20 30 DCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001191431961 772768192 /nfs/dbraw/zinc/76/81/92/772768192.db2.gz XJJRJDYAUACXFH-NDUQDZPOSA-N 2 0 317.433 0.406 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001166425734 772810668 /nfs/dbraw/zinc/81/06/68/772810668.db2.gz UGJRHVDTYYRZPQ-AWEZNQCLSA-N 2 0 312.458 0.505 20 30 DCEDRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC#CCOC)C12CCC2 ZINC001203650001 772918247 /nfs/dbraw/zinc/91/82/47/772918247.db2.gz DZZRJVJHYXGNAM-JKSUJKDBSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001193456233 773072163 /nfs/dbraw/zinc/07/21/63/773072163.db2.gz OMZSDYCRMLOWLA-MGPQQGTHSA-N 2 0 301.406 0.404 20 30 DCEDRP COCC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001206928886 773137309 /nfs/dbraw/zinc/13/73/09/773137309.db2.gz MHXVLTIKMWKWKX-MRXNPFEDSA-N 2 0 307.438 0.416 20 30 DCEDRP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001206980243 773155372 /nfs/dbraw/zinc/15/53/72/773155372.db2.gz NQJLUMMJNDXTAH-DJIMGWMZSA-N 2 0 321.465 0.967 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006708 773305175 /nfs/dbraw/zinc/30/51/75/773305175.db2.gz NOCNLYGIXYHAJL-HUUCEWRRSA-N 2 0 307.438 0.436 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001208374057 773446390 /nfs/dbraw/zinc/44/63/90/773446390.db2.gz VALVAPVGKVNREP-HOTGVXAUSA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001208590457 773504150 /nfs/dbraw/zinc/50/41/50/773504150.db2.gz GIVIWPZWROHDIV-BZUAXINKSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209314308 773589915 /nfs/dbraw/zinc/58/99/15/773589915.db2.gz IECGUSJFMAIWGO-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184897 774047425 /nfs/dbraw/zinc/04/74/25/774047425.db2.gz UBKJEOQMJSHJCW-HCBPCCMXSA-N 2 0 317.433 0.309 20 30 DCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216383340 774115403 /nfs/dbraw/zinc/11/54/03/774115403.db2.gz KPNDRILIFRJPSB-BZUAXINKSA-N 2 0 309.454 0.967 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001216853585 774143250 /nfs/dbraw/zinc/14/32/50/774143250.db2.gz IMIFRAAPOJYQLO-RBSFLKMASA-N 2 0 324.469 0.454 20 30 DCEDRP N#C[C@H]1C[NH2+]C[C@@H]1Oc1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC001218199124 774215818 /nfs/dbraw/zinc/21/58/18/774215818.db2.gz AKXWFDHNTANFQD-ZFWWWQNUSA-N 2 0 300.362 0.222 20 30 DCEDRP N#Cc1c(NC(=O)[C@@]2(N)CCC[NH2+]C2)sc2c1CC[NH2+]C2 ZINC001218551933 774245308 /nfs/dbraw/zinc/24/53/08/774245308.db2.gz AOIRUCJPSUOSNB-CQSZACIVSA-N 2 0 305.407 0.285 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200687415 774390428 /nfs/dbraw/zinc/39/04/28/774390428.db2.gz ARGWULROLWINQZ-JKSUJKDBSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001201268161 774480669 /nfs/dbraw/zinc/48/06/69/774480669.db2.gz VXWGWQGTKUXMNE-MRXNPFEDSA-N 2 0 307.438 0.701 20 30 DCEDRP N#Cc1ccc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c2cccnc12 ZINC001219465172 774503856 /nfs/dbraw/zinc/50/38/56/774503856.db2.gz MJSBZJQJRDYURW-ZDUSSCGKSA-N 2 0 307.357 0.854 20 30 DCEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)cc1 ZINC001219847386 774626564 /nfs/dbraw/zinc/62/65/64/774626564.db2.gz FUQSUHATUDJKNU-WBTNSWJXSA-N 2 0 314.389 0.584 20 30 DCEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478570 774821005 /nfs/dbraw/zinc/82/10/05/774821005.db2.gz CWUKGYPCOXTQLB-CVEARBPZSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CC[C@]1(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)CCC[NH2+]1 ZINC001220805683 774920515 /nfs/dbraw/zinc/92/05/15/774920515.db2.gz UVRIZTPQXXSAMB-NQBHXWOUSA-N 2 0 303.328 0.789 20 30 DCEDRP N#Cc1ccc([C@H](C(=O)NCCCC[NH3+])N2CC[NH2+]CC2)cc1 ZINC001221348465 775075645 /nfs/dbraw/zinc/07/56/45/775075645.db2.gz IRZTWVSTIZUTGT-MRXNPFEDSA-N 2 0 315.421 0.360 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224245826 775547970 /nfs/dbraw/zinc/54/79/70/775547970.db2.gz GUYPNZPINXKGSP-SJORKVTESA-N 2 0 321.465 0.899 20 30 DCEDRP CC[C@@H](C(=O)NCC1CC[NH+](CC#CCOC)CC1)[NH+](C)C ZINC001224583247 775585412 /nfs/dbraw/zinc/58/54/12/775585412.db2.gz NSXTXBTWRXVMJG-INIZCTEOSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCC[N@@H+](CCO)C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001098506061 775643394 /nfs/dbraw/zinc/64/33/94/775643394.db2.gz KQRFEZXVXMVNRI-UHFFFAOYSA-N 2 0 309.454 0.637 20 30 DCEDRP C=CC[NH+]1CCC(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001225442679 775678793 /nfs/dbraw/zinc/67/87/93/775678793.db2.gz SJIJGPIMMSKZFH-OAHLLOKOSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](C)C ZINC001227047164 775917875 /nfs/dbraw/zinc/91/78/75/775917875.db2.gz ASGHYBYKBRISGW-RBSFLKMASA-N 2 0 324.469 0.646 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230284800 776275358 /nfs/dbraw/zinc/27/53/58/776275358.db2.gz VOSSXKHOGLTGQK-HUUCEWRRSA-N 2 0 322.453 0.093 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001317623197 945123088 /nfs/dbraw/zinc/12/30/88/945123088.db2.gz RAQXLJONNWAKBD-KBPBESRZSA-N 2 0 310.442 0.067 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001317840052 945205200 /nfs/dbraw/zinc/20/52/00/945205200.db2.gz NQJXXRWPCHXXFG-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP N#CCCCN1C[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273030892 945209185 /nfs/dbraw/zinc/20/91/85/945209185.db2.gz QQPPWTGUWJVUNG-QGZVFWFLSA-N 2 0 320.437 0.593 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001266525694 939151373 /nfs/dbraw/zinc/15/13/73/939151373.db2.gz LNYINDJOYBIINS-GJZGRUSLSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001279531033 939266020 /nfs/dbraw/zinc/26/60/20/939266020.db2.gz YLKKIMQNMZKASB-SFHVURJKSA-N 2 0 321.465 0.829 20 30 DCEDRP C=CCC[NH+]1CCN(CCN(C)C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001267575540 939521450 /nfs/dbraw/zinc/52/14/50/939521450.db2.gz FRLUKNUZHRRNPA-MRXNPFEDSA-N 2 0 310.486 0.979 20 30 DCEDRP C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001279738895 939615317 /nfs/dbraw/zinc/61/53/17/939615317.db2.gz YPZPSBFEWPLPNY-HZPDHXFCSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001267955771 939712754 /nfs/dbraw/zinc/71/27/54/939712754.db2.gz HMXOGZSYUWQYEW-OAHLLOKOSA-N 2 0 317.437 0.662 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001481319776 939746175 /nfs/dbraw/zinc/74/61/75/939746175.db2.gz NKTRXCRUARSBBQ-CABCVRRESA-N 2 0 324.469 0.600 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001481495598 939903074 /nfs/dbraw/zinc/90/30/74/939903074.db2.gz MQYKCEHDBSTVKR-JKSUJKDBSA-N 2 0 307.438 0.511 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC#CCOC)[C@@H](C)C1 ZINC001268141679 939957395 /nfs/dbraw/zinc/95/73/95/939957395.db2.gz MPXLVNPLRHBJAT-JKSUJKDBSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH2+]C/C=C\CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001268553817 940231759 /nfs/dbraw/zinc/23/17/59/940231759.db2.gz YIBZEPSXVCNAHQ-MJSXRHKHSA-N 2 0 307.438 0.773 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2cncn2C)CC1 ZINC001268674096 940327225 /nfs/dbraw/zinc/32/72/25/940327225.db2.gz OWGFFKLZYZWWCB-CQSZACIVSA-N 2 0 317.437 0.360 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCOC(C)C)C2)CC1 ZINC001268911622 940404402 /nfs/dbraw/zinc/40/44/02/940404402.db2.gz PXLXHGBZJNMCCB-UHFFFAOYSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCN1C(=O)COCC12C[NH+](CC1CC[NH+](CC)CC1)C2 ZINC001273143332 945318460 /nfs/dbraw/zinc/31/84/60/945318460.db2.gz FKIWWWRKCINQAG-UHFFFAOYSA-N 2 0 305.422 0.265 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CCCO)C(C)C)CC1 ZINC001482570681 941510830 /nfs/dbraw/zinc/51/08/30/941510830.db2.gz DQNFFRWZVDUPJQ-MRXNPFEDSA-N 2 0 309.454 0.444 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001272034316 941537755 /nfs/dbraw/zinc/53/77/55/941537755.db2.gz NUTICHVGLCNYBF-CABCVRRESA-N 2 0 322.453 0.306 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001482661143 941612858 /nfs/dbraw/zinc/61/28/58/941612858.db2.gz CMWGAYDCACAVBB-SJORKVTESA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001482886213 941699000 /nfs/dbraw/zinc/69/90/00/941699000.db2.gz SIUUKMSHFGRNPQ-MRXNPFEDSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483254570 942211148 /nfs/dbraw/zinc/21/11/48/942211148.db2.gz GDCOTGRLVGKMHR-KBPBESRZSA-N 2 0 322.453 0.093 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001483466112 942372854 /nfs/dbraw/zinc/37/28/54/942372854.db2.gz YLTCJQKOFUOAHV-HNNXBMFYSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001483935813 943037274 /nfs/dbraw/zinc/03/72/74/943037274.db2.gz VYTUNIRPVJDCNZ-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCC[C@@H](C)[NH+]1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001484293771 943299547 /nfs/dbraw/zinc/29/95/47/943299547.db2.gz QCZNLFJVMSISDA-CQSZACIVSA-N 2 0 309.454 0.846 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001484347079 943330844 /nfs/dbraw/zinc/33/08/44/943330844.db2.gz MFEUWQZCGHZFFY-JKSUJKDBSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001484634045 943483465 /nfs/dbraw/zinc/48/34/65/943483465.db2.gz DLLJGDXFTJDUGC-ZIAGYGMSSA-N 2 0 322.453 0.257 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC#CCOC)C2)C1 ZINC001490921363 943677835 /nfs/dbraw/zinc/67/78/35/943677835.db2.gz BLLVJFBCHNUOOO-BRWVUGGUSA-N 2 0 321.465 0.995 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC#CCOC)C2)C1 ZINC001491046793 943723826 /nfs/dbraw/zinc/72/38/26/943723826.db2.gz BLLVJFBCHNUOOO-ZACQAIPSSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCC[C@@H](C)N1CC(CCO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001485400379 943919742 /nfs/dbraw/zinc/91/97/42/943919742.db2.gz DVCCJODLJJVROO-HUUCEWRRSA-N 2 0 309.454 0.988 20 30 DCEDRP CC#CC[N@H+](C)CCOCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001485773208 944131058 /nfs/dbraw/zinc/13/10/58/944131058.db2.gz REHHNSLBIKDGJA-INIZCTEOSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001272772025 944220980 /nfs/dbraw/zinc/22/09/80/944220980.db2.gz CHGPOWVLDWNCJO-HZPDHXFCSA-N 2 0 309.454 0.993 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC#CCOC ZINC001485883422 944379869 /nfs/dbraw/zinc/37/98/69/944379869.db2.gz SQXRVEMNYNHHGE-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C2(CNC(=O)[C@H](CC)[NH+](C)C)CC2)C1=O ZINC001277178201 944695021 /nfs/dbraw/zinc/69/50/21/944695021.db2.gz TXCNCEUZMUZZAZ-KBPBESRZSA-N 2 0 322.453 0.352 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)CCn1ccnc1 ZINC001486289945 944730664 /nfs/dbraw/zinc/73/06/64/944730664.db2.gz AYTSSDOOVNLFAI-LBPRGKRZSA-N 2 0 300.790 0.435 20 30 DCEDRP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001486335665 944795537 /nfs/dbraw/zinc/79/55/37/944795537.db2.gz UBNAGDJNEBFUBA-OAHLLOKOSA-N 2 0 309.454 0.635 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001277873580 945018577 /nfs/dbraw/zinc/01/85/77/945018577.db2.gz HOZSFIIXLBRVGB-CVEARBPZSA-N 2 0 309.454 0.803 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001277883429 945024107 /nfs/dbraw/zinc/02/41/07/945024107.db2.gz HZRFRHVBZBQEHM-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP COC(=O)c1ccc(C(=[NH2+])N[C@H]2CCOC3(C[NH2+]C3)C2)cc1 ZINC001246303891 945380383 /nfs/dbraw/zinc/38/03/83/945380383.db2.gz JLHIFAIHUBSKNE-ZDUSSCGKSA-N 2 0 303.362 0.700 20 30 DCEDRP C=CCOC(=O)N1CCC(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246466543 945414328 /nfs/dbraw/zinc/41/43/28/945414328.db2.gz OPPAPSYGTGRSPE-HNNXBMFYSA-N 2 0 322.453 0.705 20 30 DCEDRP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001318854612 945453800 /nfs/dbraw/zinc/45/38/00/945453800.db2.gz KTINEXLTFQBFIZ-IAGOWNOFSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+](C1CC[NH2+]CC1)C2 ZINC001246691327 945462689 /nfs/dbraw/zinc/46/26/89/945462689.db2.gz FIPWNAZLCOPLEK-GOSISDBHSA-N 2 0 320.481 0.922 20 30 DCEDRP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246768492 945485613 /nfs/dbraw/zinc/48/56/13/945485613.db2.gz OSUACTBFHNRBGY-RYRKJORJSA-N 2 0 321.465 0.907 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC1 ZINC001273185921 945720945 /nfs/dbraw/zinc/72/09/45/945720945.db2.gz DZAKRKFKIIDLRT-HNNXBMFYSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CCOC[C@@H](O)C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC001251896142 945811840 /nfs/dbraw/zinc/81/18/40/945811840.db2.gz BIPQFZKOTHCCEG-KRWDZBQOSA-N 2 0 310.438 0.478 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001278652911 945876566 /nfs/dbraw/zinc/87/65/66/945876566.db2.gz GRXJJZHZJNDDKK-FUHWJXTLSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)Cn2ccnc2C)CC1(C)C ZINC001278690132 946047644 /nfs/dbraw/zinc/04/76/44/946047644.db2.gz OMFDFQIGGAFIAJ-HNNXBMFYSA-N 2 0 318.421 0.668 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC001273277096 946415289 /nfs/dbraw/zinc/41/52/89/946415289.db2.gz QACJMJDICWJPAU-MRXNPFEDSA-N 2 0 319.449 0.703 20 30 DCEDRP C=CCCC[N@H+]1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001278801569 946420589 /nfs/dbraw/zinc/42/05/89/946420589.db2.gz YGCVBOSLXUAJTG-QGZVFWFLSA-N 2 0 309.454 0.847 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001321908019 946508058 /nfs/dbraw/zinc/50/80/58/946508058.db2.gz BRRUOFSVGODMMA-KBPBESRZSA-N 2 0 322.453 0.400 20 30 DCEDRP C#CC[N@@H+](C)CCN(C(=O)c1ccn(CC[NH+](C)C)n1)C(C)C ZINC001278907790 946581049 /nfs/dbraw/zinc/58/10/49/946581049.db2.gz IZIOAJAKFKBEMP-UHFFFAOYSA-N 2 0 319.453 0.860 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001323541563 947120170 /nfs/dbraw/zinc/12/01/70/947120170.db2.gz JNBXDJUSKRVDLR-KGLIPLIRSA-N 2 0 322.453 0.257 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CC#CCOC)C2 ZINC001325351734 947765222 /nfs/dbraw/zinc/76/52/22/947765222.db2.gz NSFAAZJYYFZECU-ULQDDVLXSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001325450510 947799646 /nfs/dbraw/zinc/79/96/46/947799646.db2.gz QICGVQRUMLERJU-CABCVRRESA-N 2 0 317.437 0.518 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+][C@@H](CC)C(N)=O)CC1 ZINC001273766097 948077693 /nfs/dbraw/zinc/07/76/93/948077693.db2.gz XAOLXZGFXIHXNA-HNNXBMFYSA-N 2 0 322.453 0.034 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001327576404 948557363 /nfs/dbraw/zinc/55/73/63/948557363.db2.gz GBVNAHPKPDKRLM-SJLPKXTDSA-N 2 0 321.465 0.683 20 30 DCEDRP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001273885871 948656055 /nfs/dbraw/zinc/65/60/55/948656055.db2.gz QHEABIMRXSULIJ-QGZVFWFLSA-N 2 0 309.454 0.990 20 30 DCEDRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC#CCOC)C1 ZINC001264486712 948982687 /nfs/dbraw/zinc/98/26/87/948982687.db2.gz CAKZIVQYGOFZKH-JKSUJKDBSA-N 2 0 309.454 0.853 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001264657052 949055329 /nfs/dbraw/zinc/05/53/29/949055329.db2.gz KUFGSHUCOGCYAW-ZACQAIPSSA-N 2 0 319.449 0.368 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)CCOC)CC1 ZINC001328799270 949101969 /nfs/dbraw/zinc/10/19/69/949101969.db2.gz XFFNXLWLIQAADL-QGZVFWFLSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265484620 949721626 /nfs/dbraw/zinc/72/16/26/949721626.db2.gz JQSMNCNJMNFXIX-AAVRWANBSA-N 2 0 310.442 0.254 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)COC)CC1 ZINC001329625148 949725922 /nfs/dbraw/zinc/72/59/22/949725922.db2.gz VBOVMYQURCNUAR-GJZGRUSLSA-N 2 0 309.454 0.803 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001265571062 949774725 /nfs/dbraw/zinc/77/47/25/949774725.db2.gz BGJNLNGTXOIMGR-YHUYYLMFSA-N 2 0 307.438 0.746 20 30 DCEDRP CC#CCN1CCO[C@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001330159373 950155552 /nfs/dbraw/zinc/15/55/52/950155552.db2.gz FXUXQOFKDRACOG-QGZVFWFLSA-N 2 0 307.438 0.655 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266144545 950413787 /nfs/dbraw/zinc/41/37/87/950413787.db2.gz UJDXHNXDLDIDTQ-ZFWWWQNUSA-N 2 0 322.453 0.115 20 30 DCEDRP C#CCNC(=O)C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001490197801 950418675 /nfs/dbraw/zinc/41/86/75/950418675.db2.gz YYTWIRGMWYSDBG-OAHLLOKOSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCNC(=O)C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001490197798 950420090 /nfs/dbraw/zinc/42/00/90/950420090.db2.gz YYTWIRGMWYSDBG-HNNXBMFYSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@H](CC)[NH+](C)C)CC2 ZINC001330551961 950504400 /nfs/dbraw/zinc/50/44/00/950504400.db2.gz RZBZBXOBRRNEFG-HOTGVXAUSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001490611053 950944630 /nfs/dbraw/zinc/94/46/30/950944630.db2.gz QVYNOCBPGHCUOP-JKSUJKDBSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCO1 ZINC001280584251 950968446 /nfs/dbraw/zinc/96/84/46/950968446.db2.gz RMHAAPZDVDYKDQ-HRCADAONSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001280619068 950991439 /nfs/dbraw/zinc/99/14/39/950991439.db2.gz GNLSVGQPHPIFOT-HUUCEWRRSA-N 2 0 311.426 0.100 20 30 DCEDRP C=CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001280813597 951103872 /nfs/dbraw/zinc/10/38/72/951103872.db2.gz FGBLGMIHPDRMIM-HUUCEWRRSA-N 2 0 324.469 0.409 20 30 DCEDRP C=C(C)CC[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001331741495 951286573 /nfs/dbraw/zinc/28/65/73/951286573.db2.gz UYWVDPVWBBWARR-OAHLLOKOSA-N 2 0 309.454 0.895 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CCO1 ZINC001280653451 951345188 /nfs/dbraw/zinc/34/51/88/951345188.db2.gz YVRIZJBRBZVDPO-KRWDZBQOSA-N 2 0 321.465 0.947 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC#CCOC)C[C@@H]1C ZINC001332050467 951452832 /nfs/dbraw/zinc/45/28/32/951452832.db2.gz PJXVKABHYUCWIB-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCNC(=O)CN1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001332199440 951518591 /nfs/dbraw/zinc/51/85/91/951518591.db2.gz PGTNPMPASXDONZ-UONOGXRCSA-N 2 0 310.442 0.209 20 30 DCEDRP COCC#CCN(C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001320000553 951593191 /nfs/dbraw/zinc/59/31/91/951593191.db2.gz UFFHIUWHGPUQAP-INIZCTEOSA-N 2 0 309.454 0.899 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001281676987 951595608 /nfs/dbraw/zinc/59/56/08/951595608.db2.gz SDKMGSPVSDRYRX-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)CC#CCOC)CC[N@@H+]1C ZINC001275835425 952486026 /nfs/dbraw/zinc/48/60/26/952486026.db2.gz MJSBNRIZXNKYIM-HRCADAONSA-N 2 0 309.454 0.803 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001336098961 952644268 /nfs/dbraw/zinc/64/42/68/952644268.db2.gz DFSUNEMVDSDQOT-OAHLLOKOSA-N 2 0 322.453 0.481 20 30 DCEDRP C#CC[NH2+]CC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC001341586424 953238554 /nfs/dbraw/zinc/23/85/54/953238554.db2.gz QEHOACRTKOYWCR-UHFFFAOYSA-N 2 0 314.433 0.770 20 30 DCEDRP C#CC[NH2+]CC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC001341603677 953239707 /nfs/dbraw/zinc/23/97/07/953239707.db2.gz AJMJCXMCTZDNRY-UHFFFAOYSA-N 2 0 303.406 0.509 20 30 DCEDRP C=CCOCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001282872696 953710646 /nfs/dbraw/zinc/71/06/46/953710646.db2.gz XWBKMFKOUZQXGY-NXOAAHMSSA-N 2 0 321.465 0.967 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)CC1 ZINC001346670766 953938626 /nfs/dbraw/zinc/93/86/26/953938626.db2.gz CUVVPCYIEVYXOY-VNQPRFMTSA-N 2 0 304.438 0.723 20 30 DCEDRP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001284516580 955151543 /nfs/dbraw/zinc/15/15/43/955151543.db2.gz MEBCNJDTWWDHKA-INIZCTEOSA-N 2 0 309.454 0.493 20 30 DCEDRP C=CC[C@@]1(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CCC[NH2+]1 ZINC001354696615 956477983 /nfs/dbraw/zinc/47/79/83/956477983.db2.gz QDFLNXOBWGVSMH-PBHICJAKSA-N 2 0 307.438 0.960 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001376871005 959024431 /nfs/dbraw/zinc/02/44/31/959024431.db2.gz ZEHCFWKSVUMAIV-CHWSQXEVSA-N 2 0 301.818 0.508 20 30 DCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(C#N)s1 ZINC001379460585 962974244 /nfs/dbraw/zinc/97/42/44/962974244.db2.gz GNPYVSTXJKBLHB-SMDDNHRTSA-N 2 0 322.434 0.281 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001374829030 965997341 /nfs/dbraw/zinc/99/73/41/965997341.db2.gz OPKCIVWIKOTRBY-GFCCVEGCSA-N 2 0 303.834 0.944 20 30 DCEDRP C=C(Cl)C[NH2+]CC1(NC(=O)CC[NH+](C)C)CCOCC1 ZINC001393714238 993195340 /nfs/dbraw/zinc/19/53/40/993195340.db2.gz DSJYLVRJPYVSGY-UHFFFAOYSA-N 2 0 303.834 0.946 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C)C1=O ZINC001507117812 1015998207 /nfs/dbraw/zinc/99/82/07/1015998207.db2.gz JAYJACSSQUGPFG-ZIAGYGMSSA-N 2 0 310.442 0.162 20 30 DCEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001502835904 1016094229 /nfs/dbraw/zinc/09/42/29/1016094229.db2.gz DLGGBKKDCPOJSD-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC001420153010 1001948863 /nfs/dbraw/zinc/94/88/63/1001948863.db2.gz YRCFSKGEWKPCGE-OAHLLOKOSA-N 2 0 304.394 0.077 20 30 DCEDRP C=C(Cl)CN[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001403665282 1002306102 /nfs/dbraw/zinc/30/61/02/1002306102.db2.gz BYFJYXFLLLXLQR-CHWSQXEVSA-N 2 0 303.834 0.680 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001505848205 1016609602 /nfs/dbraw/zinc/60/96/02/1016609602.db2.gz MMRMUFGSHNGPME-CQSZACIVSA-N 2 0 324.469 0.315 20 30 DCEDRP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CC#CCOC ZINC001479645933 1017620556 /nfs/dbraw/zinc/62/05/56/1017620556.db2.gz WKLQNCNSBFOZOR-JKSUJKDBSA-N 2 0 319.449 0.701 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479829484 1017840439 /nfs/dbraw/zinc/84/04/39/1017840439.db2.gz NLICFTNHEFQJGU-CABCVRRESA-N 2 0 324.469 0.600 20 30 DCEDRP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](CCOC)CC1 ZINC001500047163 1018188408 /nfs/dbraw/zinc/18/84/08/1018188408.db2.gz JTTHJUWTFHOHNR-INIZCTEOSA-N 2 0 309.454 0.899 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001500106678 1018226681 /nfs/dbraw/zinc/22/66/81/1018226681.db2.gz JLJTVXRCMFVZJB-INIZCTEOSA-N 2 0 309.454 0.853 20 30 DCEDRP COCC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001497578858 1018244828 /nfs/dbraw/zinc/24/48/28/1018244828.db2.gz KUIJFZSNYXIAGR-APHBUQMISA-N 2 0 307.438 0.771 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001480167153 1018273239 /nfs/dbraw/zinc/27/32/39/1018273239.db2.gz JQSMNCNJMNFXIX-XUXIUFHCSA-N 2 0 310.442 0.254 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001480173792 1018283025 /nfs/dbraw/zinc/28/30/25/1018283025.db2.gz NDQMKKYTPJQMJM-KKUMJFAQSA-N 2 0 322.453 0.400 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001500279985 1018373285 /nfs/dbraw/zinc/37/32/85/1018373285.db2.gz JOZFSGUMBDOBQE-WBVHZDCISA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001480400568 1018500615 /nfs/dbraw/zinc/50/06/15/1018500615.db2.gz PMHQECSFLMKPIO-UYSNPLJNSA-N 2 0 307.438 0.747 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001480547728 1018646464 /nfs/dbraw/zinc/64/64/64/1018646464.db2.gz DPBDEDBOMODKDL-KBPBESRZSA-N 2 0 324.469 0.503 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CCCC1 ZINC001495962045 1018910239 /nfs/dbraw/zinc/91/02/39/1018910239.db2.gz CKHRQPISEUFBPP-HNNXBMFYSA-N 2 0 307.438 0.607 20 30 DCEDRP C#CCC[NH+]1CCC[C@](CO)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001501331557 1019060228 /nfs/dbraw/zinc/06/02/28/1019060228.db2.gz KSUGJRBYXIXISM-AEFFLSMTSA-N 2 0 321.465 0.827 20 30 DCEDRP C=C(C)C[N@@H+]1CCC[C@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001501359614 1019091427 /nfs/dbraw/zinc/09/14/27/1019091427.db2.gz GFKJYORTIJQEEL-KRWDZBQOSA-N 2 0 307.438 0.601 20 30 DCEDRP CNC(=[NH2+])NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000267457939 530039443 /nfs/dbraw/zinc/03/94/43/530039443.db2.gz UEYWLERLDOXBFY-CQSZACIVSA-N 2 0 303.410 0.418 20 30 DCEDRP CN(C(=[NH2+])NCc1cccc(C(=O)NCC[NH+](C)C)c1)C1CC1 ZINC000273321173 238288267 /nfs/dbraw/zinc/28/82/67/238288267.db2.gz GEPSWVPGQJOORR-UHFFFAOYSA-N 2 0 317.437 0.887 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330512 240021503 /nfs/dbraw/zinc/02/15/03/240021503.db2.gz PZMCXCFMZJOWDF-IHRRRGAJSA-N 2 0 308.426 0.708 20 30 DCEDRP N#CC[C@]1(O)CC[N@H+](CCCCC[NH+]2CC[C@](O)(CC#N)C2)C1 ZINC000592150791 397108180 /nfs/dbraw/zinc/10/81/80/397108180.db2.gz GPLXUEXPUVMDKW-CALCHBBNSA-N 2 0 320.437 0.858 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@]2(COC)CCC[NH2+]2)CC1 ZINC000417534934 397373714 /nfs/dbraw/zinc/37/37/14/397373714.db2.gz WJIYELIZWPDKEZ-INIZCTEOSA-N 2 0 310.442 0.705 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCCC[NH+](CC)CC)CC1 ZINC000343738526 415703765 /nfs/dbraw/zinc/70/37/65/415703765.db2.gz KSDFDIVPXXIVAC-UHFFFAOYSA-N 2 0 324.469 0.601 20 30 DCEDRP C=CCNC(=O)[C@H](C)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000134125704 415953437 /nfs/dbraw/zinc/95/34/37/415953437.db2.gz UFDVFOHRUQSJTH-ZDUSSCGKSA-N 2 0 318.425 0.355 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000419723947 416406357 /nfs/dbraw/zinc/40/63/57/416406357.db2.gz GJJBGRZBYCGVOC-OAHLLOKOSA-N 2 0 322.453 0.387 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330510 416418764 /nfs/dbraw/zinc/41/87/64/416418764.db2.gz PZMCXCFMZJOWDF-BFHYXJOUSA-N 2 0 308.426 0.708 20 30 DCEDRP C=C(CNC(=O)[C@H](CC)[NH+](C)C)CNC(=O)[C@H](CC)[NH+](C)C ZINC000620748807 417271787 /nfs/dbraw/zinc/27/17/87/417271787.db2.gz ZMFYKAASBSPXMU-KBPBESRZSA-N 2 0 312.458 0.455 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659703531 418153502 /nfs/dbraw/zinc/15/35/02/418153502.db2.gz DSWZIUFZVHZRQI-CQSZACIVSA-N 2 0 310.442 0.243 20 30 DCEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000261946121 278167954 /nfs/dbraw/zinc/16/79/54/278167954.db2.gz FZZFDYSISTUKRW-OFQRWUPVSA-N 3 0 307.486 0.976 20 30 DCEDRP CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000367494798 289391993 /nfs/dbraw/zinc/39/19/93/289391993.db2.gz HPQKQTLXIONAFA-ARFHVFGLSA-N 2 0 322.453 0.932 20 30 DCEDRP CC(C)(CNC(=O)CN[C@@H]1CCC[C@@H]1C#N)N1CCOCC1 ZINC000332547364 336174020 /nfs/dbraw/zinc/17/40/20/336174020.db2.gz CSACJWJQMXJSIB-ZIAGYGMSSA-N 2 0 308.426 0.495 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420341406 337499529 /nfs/dbraw/zinc/49/95/29/337499529.db2.gz ODIHDWVWYRSWOD-TZMCWYRMSA-N 2 0 308.426 0.851 20 30 DCEDRP C[NH+]=C(NCCn1cc(C)cn1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261995997 526368299 /nfs/dbraw/zinc/36/82/99/526368299.db2.gz SKZDERQQXQVDES-UKRRQHHQSA-N 2 0 304.442 0.839 20 30 DCEDRP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1=O ZINC000366851488 526511201 /nfs/dbraw/zinc/51/12/01/526511201.db2.gz NKHFALHADOBSDX-SJORKVTESA-N 2 0 320.481 0.874 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C)n(C)c1=O ZINC000262804205 529073722 /nfs/dbraw/zinc/07/37/22/529073722.db2.gz RRZXNJMFMVPGFN-CQSZACIVSA-N 2 0 305.426 0.582 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1ccco1 ZINC000264150879 529100361 /nfs/dbraw/zinc/10/03/61/529100361.db2.gz ZBQWDGLLRHCXFG-LBPRGKRZSA-N 2 0 307.398 0.398 20 30 DCEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)CN1CC[NH2+]CC1)C(C)C ZINC000638070323 546336699 /nfs/dbraw/zinc/33/66/99/546336699.db2.gz YNGQZIMIUVZYOL-INIZCTEOSA-N 2 0 308.470 0.706 20 30 DCEDRP C#CCC[NH2+]C1CCN(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001672468856 1175110535 /nfs/dbraw/zinc/11/05/35/1175110535.db2.gz ZAQSZSADCDWSGN-UHFFFAOYSA-N 2 0 306.454 0.276 20 30 DCEDRP C#CCC[N@H+]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000981447364 661154593 /nfs/dbraw/zinc/15/45/93/661154593.db2.gz VBEBEBMKIRRICJ-UHFFFAOYSA-N 2 0 321.465 0.902 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCO)C2)CC1 ZINC000981542440 661169723 /nfs/dbraw/zinc/16/97/23/661169723.db2.gz UPJWNLZXMPDDGW-JKSUJKDBSA-N 2 0 307.438 0.341 20 30 DCEDRP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000981785270 661216742 /nfs/dbraw/zinc/21/67/42/661216742.db2.gz ZKHVPIGQVRSXRJ-CVEARBPZSA-N 2 0 317.433 0.407 20 30 DCEDRP C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972538921 657676625 /nfs/dbraw/zinc/67/66/25/657676625.db2.gz ZWKXSEHLWLKSMV-WBVHZDCISA-N 2 0 307.438 0.509 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001023448944 657875763 /nfs/dbraw/zinc/87/57/63/657875763.db2.gz BVYCIYAFGNAYOD-GJZGRUSLSA-N 2 0 300.406 0.907 20 30 DCEDRP CC#CCN1CCO[C@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000972638894 658140523 /nfs/dbraw/zinc/14/05/23/658140523.db2.gz OPSZIUYEHOQIKQ-FUHWJXTLSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](C[C@@H](C)O)C2)CC1 ZINC001023762123 658217926 /nfs/dbraw/zinc/21/79/26/658217926.db2.gz ROLVVMWGXJWVRY-CVEARBPZSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]21 ZINC001026387812 659275171 /nfs/dbraw/zinc/27/51/71/659275171.db2.gz FBDFDVWCFOMEEY-USXIJHARSA-N 2 0 319.449 0.557 20 30 DCEDRP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC#C)CC3)C[C@@H]12 ZINC001026425618 659336795 /nfs/dbraw/zinc/33/67/95/659336795.db2.gz GEVDHULNMRXFQL-KZNAEPCWSA-N 2 0 313.445 0.791 20 30 DCEDRP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001028757787 661808773 /nfs/dbraw/zinc/80/87/73/661808773.db2.gz JFFXJTKQPGGEQP-JKSUJKDBSA-N 2 0 307.438 0.557 20 30 DCEDRP C[NH+]=C(NC[C@]1(O)CCSC1)NC1CC[NH+](C2CC2)CC1 ZINC000262414020 662373275 /nfs/dbraw/zinc/37/32/75/662373275.db2.gz PTGKJNDPQKNRLG-OAHLLOKOSA-N 2 0 312.483 0.646 20 30 DCEDRP C=CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001000975438 665969297 /nfs/dbraw/zinc/96/92/97/665969297.db2.gz IFRROHVMYVCJOQ-UPTPFMHGSA-N 2 0 317.433 0.784 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000913522340 664338166 /nfs/dbraw/zinc/33/81/66/664338166.db2.gz FMJITAJAMSGLNC-HNNXBMFYSA-N 2 0 309.479 0.885 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000914161159 664756304 /nfs/dbraw/zinc/75/63/04/664756304.db2.gz RUIQGQOKQVEUDH-CQSZACIVSA-N 2 0 304.438 0.868 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CC[NH+](CCO)CC2)CC1 ZINC000997874988 665356495 /nfs/dbraw/zinc/35/64/95/665356495.db2.gz VFMFNSFKYAEQED-HNNXBMFYSA-N 2 0 321.465 0.541 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000941640980 666036048 /nfs/dbraw/zinc/03/60/48/666036048.db2.gz MLKNTVCNOGYSQQ-UHFFFAOYSA-N 2 0 318.465 0.487 20 30 DCEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001001423522 666050601 /nfs/dbraw/zinc/05/06/01/666050601.db2.gz BRQKTKITCFBSIY-JKSUJKDBSA-N 2 0 307.438 0.864 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001032837212 666289165 /nfs/dbraw/zinc/28/91/65/666289165.db2.gz LKJNVPFNIBMNKC-BBWFWOEESA-N 2 0 319.449 0.701 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000922628530 666498695 /nfs/dbraw/zinc/49/86/95/666498695.db2.gz DWTFSPTUZDPHKN-INIZCTEOSA-N 2 0 322.453 0.494 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000945184232 666580394 /nfs/dbraw/zinc/58/03/94/666580394.db2.gz VVZIMNJWMDYYIP-HOCLYGCPSA-N 2 0 307.438 0.151 20 30 DCEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779117 666651107 /nfs/dbraw/zinc/65/11/07/666651107.db2.gz GWIWBQAKACXPAV-NXOAAHMSSA-N 2 0 303.450 0.988 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)CC1 ZINC000788206425 667445730 /nfs/dbraw/zinc/44/57/30/667445730.db2.gz ACOJEIVQXADMNL-KRWDZBQOSA-N 2 0 307.438 0.247 20 30 DCEDRP C#Cc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc1 ZINC000870021744 667699093 /nfs/dbraw/zinc/69/90/93/667699093.db2.gz JVYCEUPESSSFCO-HZPDHXFCSA-N 2 0 314.433 0.874 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870941208 667776122 /nfs/dbraw/zinc/77/61/22/667776122.db2.gz RWWONUWJZAKZNN-JLLWLGSASA-N 2 0 323.194 0.677 20 30 DCEDRP C#CCN(C(=O)CN1CC[NH+](CC)CC1)C1CC[NH+](C)CC1 ZINC000886580945 667778821 /nfs/dbraw/zinc/77/88/21/667778821.db2.gz DERBNHJWNVEBNU-UHFFFAOYSA-N 2 0 306.454 0.180 20 30 DCEDRP CC(C)CNC(=[NH2+])NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000104159414 667963314 /nfs/dbraw/zinc/96/33/14/667963314.db2.gz RPMTWIISQZUZOM-UHFFFAOYSA-N 2 0 304.442 0.894 20 30 DCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(C#N)cn1 ZINC000780660061 669004440 /nfs/dbraw/zinc/00/44/40/669004440.db2.gz ZRSVTTSDFMZVIS-UHFFFAOYSA-N 2 0 318.425 0.588 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCO)[C@@H](C)C2)CC1 ZINC000948070767 670054221 /nfs/dbraw/zinc/05/42/21/670054221.db2.gz SFFMKLLTUPOQPZ-RDJZCZTQSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CCO)C2)CC1 ZINC001036903966 670270716 /nfs/dbraw/zinc/27/07/16/670270716.db2.gz KCDVZVQIDBJTFA-SJORKVTESA-N 2 0 319.449 0.247 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)CCO2 ZINC000949189333 670283922 /nfs/dbraw/zinc/28/39/22/670283922.db2.gz QFZZLSCFWWPHPF-JKSUJKDBSA-N 2 0 319.449 0.511 20 30 DCEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@H](C)[NH+]1CCCCC1 ZINC000848995619 670747241 /nfs/dbraw/zinc/74/72/41/670747241.db2.gz WUESKXPYKAWUPM-HNNXBMFYSA-N 2 0 311.474 0.358 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)CC1 ZINC000816750766 670857322 /nfs/dbraw/zinc/85/73/22/670857322.db2.gz RNSFVILNVZXJCK-DLBZAZTESA-N 2 0 319.449 0.653 20 30 DCEDRP C#C[C@@](C)(CC)[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000852098486 671087484 /nfs/dbraw/zinc/08/74/84/671087484.db2.gz OMNZHJXRIDTRCH-RDJZCZTQSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CCO[C@@H](C)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000822952762 671357345 /nfs/dbraw/zinc/35/73/45/671357345.db2.gz YBVNYMILMBXLFD-JKSUJKDBSA-N 2 0 309.454 0.899 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C(=C)C[NH+](C)C ZINC000834407369 671758772 /nfs/dbraw/zinc/75/87/72/671758772.db2.gz RHFYWIHLYOPSER-HUUCEWRRSA-N 2 0 322.453 0.376 20 30 DCEDRP C#CC[C@H]1CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000842627625 672022868 /nfs/dbraw/zinc/02/28/68/672022868.db2.gz LCLLIJKKOGDSBZ-AWEZNQCLSA-N 2 0 318.421 0.695 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127082035 1158435952 /nfs/dbraw/zinc/43/59/52/1158435952.db2.gz JTOYXKVDOASROA-UONOGXRCSA-N 2 0 310.442 0.256 20 30 DCEDRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=[NH2+])NCC1CCC1 ZINC000303976702 685210079 /nfs/dbraw/zinc/21/00/79/685210079.db2.gz KJZSOAYTLBTHTQ-CQSZACIVSA-N 2 0 309.458 0.634 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCN(C)CC(F)(F)F ZINC000304757475 685211779 /nfs/dbraw/zinc/21/17/79/685211779.db2.gz OXUWCXMUHXNTFG-NSHDSACASA-N 2 0 309.380 0.869 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958174899 687405479 /nfs/dbraw/zinc/40/54/79/687405479.db2.gz IXRHPMWFORYEOX-JKSUJKDBSA-N 2 0 319.449 0.295 20 30 DCEDRP C=CCC[N@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](O)C1 ZINC000958343502 687561924 /nfs/dbraw/zinc/56/19/24/687561924.db2.gz AQMZNKQHBSNYBW-HUUCEWRRSA-N 2 0 321.421 0.940 20 30 DCEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958554937 687741030 /nfs/dbraw/zinc/74/10/30/687741030.db2.gz JCSMTWJFBFBGPH-IRXDYDNUSA-N 2 0 321.465 0.539 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2C[C@H](CC)OC)CC1 ZINC001039042865 694284000 /nfs/dbraw/zinc/28/40/00/694284000.db2.gz YHPRRXATQMMBQM-IRXDYDNUSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCO)CC[C@H]2C)CC1 ZINC000968682776 690365121 /nfs/dbraw/zinc/36/51/21/690365121.db2.gz UJUMHRQRBWSGRZ-GDBMZVCRSA-N 2 0 307.438 0.151 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001001425329 690544777 /nfs/dbraw/zinc/54/47/77/690544777.db2.gz NQDVGDCZAMZTQG-JKSUJKDBSA-N 2 0 305.422 0.311 20 30 DCEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CN(C)CCO1 ZINC001017440057 692916700 /nfs/dbraw/zinc/91/67/00/692916700.db2.gz BKPXDCXSEHCNBP-XHSDSOJGSA-N 2 0 307.438 0.958 20 30 DCEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001018860485 693266612 /nfs/dbraw/zinc/26/66/12/693266612.db2.gz GAXVKGLQFVDSOH-AWEZNQCLSA-N 2 0 305.426 0.825 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001570530669 1162537986 /nfs/dbraw/zinc/53/79/86/1162537986.db2.gz OQXBMXYCVXDQNQ-BRWVUGGUSA-N 2 0 321.465 0.899 20 30 DCEDRP COCC#CC[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001571348827 1162714692 /nfs/dbraw/zinc/71/46/92/1162714692.db2.gz QORBDFJRFPYDSH-HZPDHXFCSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001571408537 1162735231 /nfs/dbraw/zinc/73/52/31/1162735231.db2.gz SXHBUAZICQHNIU-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001571461864 1162768997 /nfs/dbraw/zinc/76/89/97/1162768997.db2.gz UGIOYPPYTJWIKK-ZIAGYGMSSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001700301929 1157612105 /nfs/dbraw/zinc/61/21/05/1157612105.db2.gz VTAVHRWILRCBCR-UHFFFAOYSA-N 2 0 307.438 0.437 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001671367937 1157692970 /nfs/dbraw/zinc/69/29/70/1157692970.db2.gz BHEWESBYJSJFFU-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)CN1CCOCC1 ZINC001755200438 1158010911 /nfs/dbraw/zinc/01/09/11/1158010911.db2.gz KQQZILVYAIDHBN-DLBZAZTESA-N 2 0 321.465 0.901 20 30 DCEDRP C[NH+](C)CCN1CCO[C@H]2CN(Cc3cc(C#N)ccn3)C[C@H]21 ZINC001276687719 1159110943 /nfs/dbraw/zinc/11/09/43/1159110943.db2.gz GISYIWPEIYEXOM-SJORKVTESA-N 2 0 315.421 0.400 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)C1=O ZINC001566813799 1160159841 /nfs/dbraw/zinc/15/98/41/1160159841.db2.gz OOHQCVRYHSHFND-RBSFLKMASA-N 2 0 322.453 0.350 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001566881591 1160177353 /nfs/dbraw/zinc/17/73/53/1160177353.db2.gz WWZAADOXQZBLTP-GJZGRUSLSA-N 2 0 322.453 0.069 20 30 DCEDRP CCC[N@@H+](CC#CCOC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001567426349 1160360743 /nfs/dbraw/zinc/36/07/43/1160360743.db2.gz YKOCOPODORNVSY-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001568193343 1160595049 /nfs/dbraw/zinc/59/50/49/1160595049.db2.gz AOBWAZDSEMIEAK-OAHLLOKOSA-N 2 0 311.470 0.956 20 30 DCEDRP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001568566923 1160686768 /nfs/dbraw/zinc/68/67/68/1160686768.db2.gz HCIIQXVHZXSOII-HNNXBMFYSA-N 2 0 309.454 0.895 20 30 DCEDRP CC#CC[NH2+]CCN(CC)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001568782753 1160770179 /nfs/dbraw/zinc/77/01/79/1160770179.db2.gz HKJLNHKSXCMJDO-UHFFFAOYSA-N 2 0 305.426 0.520 20 30 DCEDRP COCC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001569572228 1161151940 /nfs/dbraw/zinc/15/19/40/1161151940.db2.gz BSUOQZOQYWJESU-HZPDHXFCSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001570291193 1161548853 /nfs/dbraw/zinc/54/88/53/1161548853.db2.gz MPNPKZFGDAIBJN-DOTOQJQBSA-N 2 0 307.438 0.295 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001570354573 1161578435 /nfs/dbraw/zinc/57/84/35/1161578435.db2.gz OGNSZQLYRIWKHC-ZFWWWQNUSA-N 2 0 322.453 0.067 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)Nc1nccc([C@@H]2CC[NH2+]C2)n1 ZINC001574604325 1163734733 /nfs/dbraw/zinc/73/47/33/1163734733.db2.gz LWFMETKSPJUESU-CYBMUJFWSA-N 2 0 316.409 0.630 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC001574674428 1163740999 /nfs/dbraw/zinc/74/09/99/1163740999.db2.gz YTLJVMJLZSPWKF-GXTWGEPZSA-N 2 0 308.426 0.496 20 30 DCEDRP COCC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001578999195 1165183172 /nfs/dbraw/zinc/18/31/72/1165183172.db2.gz UCXUVVUVCKTKCT-MRXNPFEDSA-N 2 0 318.421 0.812 20 30 DCEDRP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C[C@@H](O)C[NH3+])CC2)cc1 ZINC001580066739 1165490954 /nfs/dbraw/zinc/49/09/54/1165490954.db2.gz RZZSJEFHPUKCEE-MRXNPFEDSA-N 2 0 316.405 0.302 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC001631783791 1171600495 /nfs/dbraw/zinc/60/04/95/1171600495.db2.gz KIGYYKKYNOFOOZ-ZBFHGGJFSA-N 2 0 308.470 0.589 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001671251305 1173662807 /nfs/dbraw/zinc/66/28/07/1173662807.db2.gz KCTWGYJTFBKALC-CABCVRRESA-N 2 0 324.469 0.600 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCOC(C)C)C2)CC1 ZINC001661045634 1174090702 /nfs/dbraw/zinc/09/07/02/1174090702.db2.gz PQQXCDBYVBOYFJ-KRWDZBQOSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001661682188 1174145666 /nfs/dbraw/zinc/14/56/66/1174145666.db2.gz RZKSYMQIBNNUAJ-UXLLHSPISA-N 2 0 307.438 0.912 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001665788992 1174563090 /nfs/dbraw/zinc/56/30/90/1174563090.db2.gz TYYZVWBLYLYWAC-HUUCEWRRSA-N 2 0 322.453 0.115 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCOC)[C@H](C)C2)CC1 ZINC001667216356 1174669196 /nfs/dbraw/zinc/66/91/96/1174669196.db2.gz GUSPBXCOUAFQIO-NVXWUHKLSA-N 2 0 321.465 0.805 20 30 DCEDRP CCC[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001667923956 1174733119 /nfs/dbraw/zinc/73/31/19/1174733119.db2.gz GATXQYPAMYGRGX-QGZVFWFLSA-N 2 0 317.433 0.447 20 30 DCEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C1CCCC1 ZINC001671564817 1175019064 /nfs/dbraw/zinc/01/90/64/1175019064.db2.gz YGJCTGCXHIVLMG-NVXWUHKLSA-N 2 0 321.465 0.853 20 30 DCEDRP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001671810847 1175038251 /nfs/dbraw/zinc/03/82/51/1175038251.db2.gz TZTZQJOKVDSHIE-WMZOPIPTSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001672487403 1175115357 /nfs/dbraw/zinc/11/53/57/1175115357.db2.gz TUORZUNUOXEEEF-WMZOPIPTSA-N 2 0 321.465 0.847 20 30 DCEDRP C=C(C)C[NH+]1CCC(CO)(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001674319807 1175269289 /nfs/dbraw/zinc/26/92/89/1175269289.db2.gz VBXHQPHRBLJHHD-UHFFFAOYSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001675701337 1175385778 /nfs/dbraw/zinc/38/57/78/1175385778.db2.gz DEGVRAIUFPXRSX-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001676679937 1175475912 /nfs/dbraw/zinc/47/59/12/1175475912.db2.gz GBKGXXVMTWCEIT-GDBMZVCRSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001677129592 1175532765 /nfs/dbraw/zinc/53/27/65/1175532765.db2.gz NFVDNFPNJZSTEW-MRXNPFEDSA-N 2 0 307.438 0.151 20 30 DCEDRP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001677157120 1175538872 /nfs/dbraw/zinc/53/88/72/1175538872.db2.gz RTSIOKQFEAZXBZ-HOTGVXAUSA-N 2 0 309.454 0.634 20 30 DCEDRP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001677157122 1175540232 /nfs/dbraw/zinc/54/02/32/1175540232.db2.gz RTSIOKQFEAZXBZ-JKSUJKDBSA-N 2 0 309.454 0.634 20 30 DCEDRP C=CCOCC[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001677439703 1175564789 /nfs/dbraw/zinc/56/47/89/1175564789.db2.gz YMHIUYSOAKXPIT-UHFFFAOYSA-N 2 0 307.438 0.864 20 30 DCEDRP C#CC[N@@H+](C)CCOCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001689254483 1176770521 /nfs/dbraw/zinc/77/05/21/1176770521.db2.gz YKTVERUDQPHHSI-HOTGVXAUSA-N 2 0 309.454 0.899 20 30 DCEDRP CC[N@@H+](CC#CCOC)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001689965007 1177129516 /nfs/dbraw/zinc/12/95/16/1177129516.db2.gz FFHGPTIMEJKVHJ-MRXNPFEDSA-N 2 0 309.454 0.806 20 30 DCEDRP COCC#CC[NH+]1CCC(N(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001690030181 1177146106 /nfs/dbraw/zinc/14/61/06/1177146106.db2.gz USVBBSLPYRDARK-UHFFFAOYSA-N 2 0 319.449 0.655 20 30 DCEDRP C=CCC[NH+]1CCN(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001690079552 1177164371 /nfs/dbraw/zinc/16/43/71/1177164371.db2.gz KHKMCAGXMURVGV-INIZCTEOSA-N 2 0 308.470 0.638 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001690628486 1177286453 /nfs/dbraw/zinc/28/64/53/1177286453.db2.gz OHTACZVPUHAZFF-HZPDHXFCSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1OCC ZINC001692041948 1177407953 /nfs/dbraw/zinc/40/79/53/1177407953.db2.gz ASWBHRGWAXCQCU-BZUAXINKSA-N 2 0 309.454 0.967 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001698901058 1177713812 /nfs/dbraw/zinc/71/38/12/1177713812.db2.gz LNJQSWUAYFCMJJ-CVEARBPZSA-N 2 0 309.454 0.803 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001698931132 1177726914 /nfs/dbraw/zinc/72/69/14/1177726914.db2.gz GJWDXIBZMJSAJJ-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001698976354 1177745344 /nfs/dbraw/zinc/74/53/44/1177745344.db2.gz WOYWOSXJXMZTNI-OAHLLOKOSA-N 2 0 309.454 0.708 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699363101 1178102211 /nfs/dbraw/zinc/10/22/11/1178102211.db2.gz KYWCXVJXXCVQBA-CQSZACIVSA-N 2 0 322.453 0.095 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001699703943 1178256226 /nfs/dbraw/zinc/25/62/26/1178256226.db2.gz OXRPEEYROGGICT-GOSISDBHSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001699906430 1178360790 /nfs/dbraw/zinc/36/07/90/1178360790.db2.gz KGXKDGITCSCZTC-RDJZCZTQSA-N 2 0 307.438 0.436 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001700019457 1178432867 /nfs/dbraw/zinc/43/28/67/1178432867.db2.gz LZYRBMWKSMXJCJ-DLBZAZTESA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001700231944 1178541662 /nfs/dbraw/zinc/54/16/62/1178541662.db2.gz KLBIWUXUTHWGMQ-DOTOQJQBSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001700241687 1178550345 /nfs/dbraw/zinc/55/03/45/1178550345.db2.gz IXMUKPACUFENBN-GOSISDBHSA-N 2 0 321.465 0.829 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001700427056 1178614256 /nfs/dbraw/zinc/61/42/56/1178614256.db2.gz XMRBHKOJBSDWJL-HUUCEWRRSA-N 2 0 324.469 0.503 20 30 DCEDRP C#CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001700609554 1178679235 /nfs/dbraw/zinc/67/92/35/1178679235.db2.gz DQGSUFCOFSFIPO-ZBFHGGJFSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001700633646 1178686098 /nfs/dbraw/zinc/68/60/98/1178686098.db2.gz AEHPKMBHMIKPGB-SHTZXODSSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCNC(=O)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001700695138 1178707946 /nfs/dbraw/zinc/70/79/46/1178707946.db2.gz YEZAGFUVIPQWIP-OAHLLOKOSA-N 2 0 322.453 0.306 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CC[C@@H](C)F)CC1 ZINC001700808160 1178758016 /nfs/dbraw/zinc/75/80/16/1178758016.db2.gz NUSNALWFACEPIQ-UKRRQHHQSA-N 2 0 313.417 0.146 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001701029327 1178884884 /nfs/dbraw/zinc/88/48/84/1178884884.db2.gz JDFGXPIFBGHFQO-NFOMZHRRSA-N 2 0 322.453 0.352 20 30 DCEDRP CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC#CCOC)C1)[NH+](C)C ZINC001707106260 1180418001 /nfs/dbraw/zinc/41/80/01/1180418001.db2.gz HFFCDZWACCGIQJ-ARFHVFGLSA-N 2 0 309.454 0.851 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCN(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001713743886 1181039699 /nfs/dbraw/zinc/03/96/99/1181039699.db2.gz CGMBSWREHFFSEB-UHFFFAOYSA-N 2 0 322.497 0.980 20 30 DCEDRP C#CCC[NH+]1CCN(CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001713742996 1181039785 /nfs/dbraw/zinc/03/97/85/1181039785.db2.gz RMPWZJYLZPFRNV-KRWDZBQOSA-N 2 0 322.497 0.672 20 30 DCEDRP COCC#CC[N@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001714556198 1181415746 /nfs/dbraw/zinc/41/57/46/1181415746.db2.gz XVEBTMFFYMFNHD-UHFFFAOYSA-N 2 0 307.438 0.560 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CC#CCOC)CC1 ZINC001714881676 1181583100 /nfs/dbraw/zinc/58/31/00/1181583100.db2.gz PHQCZQMMAYOXDA-MRXNPFEDSA-N 2 0 319.449 0.418 20 30 DCEDRP COCC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001715179498 1181709252 /nfs/dbraw/zinc/70/92/52/1181709252.db2.gz TYSQWAPEMRGLLC-QGZVFWFLSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001715353803 1181784660 /nfs/dbraw/zinc/78/46/60/1181784660.db2.gz KDFMWVFIRVPBOP-AWEZNQCLSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(CC)C(=O)C12CCC[NH+]1CCC2 ZINC001715739780 1181970178 /nfs/dbraw/zinc/97/01/78/1181970178.db2.gz KNSPNYXUNBIUJJ-UHFFFAOYSA-N 2 0 322.453 0.355 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CNCc2nnc(C)o2)CC1 ZINC001716424857 1182385402 /nfs/dbraw/zinc/38/54/02/1182385402.db2.gz WIRSUNDVHNVKLN-GFCCVEGCSA-N 2 0 319.409 0.318 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CC#CCOC)C1CC1 ZINC001716632008 1182471690 /nfs/dbraw/zinc/47/16/90/1182471690.db2.gz SLVZTRZJQRPSTN-IAGOWNOFSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001717353148 1182797039 /nfs/dbraw/zinc/79/70/39/1182797039.db2.gz CPIZHUJPWWYLBT-CQSZACIVSA-N 2 0 318.421 0.555 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2(CO)CC[NH+](CC)CC2)CC1 ZINC001717354275 1182798866 /nfs/dbraw/zinc/79/88/66/1182798866.db2.gz VTJYYQKHLHETRO-UHFFFAOYSA-N 2 0 307.438 0.295 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001717651336 1182938965 /nfs/dbraw/zinc/93/89/65/1182938965.db2.gz YMINFTIFDOPDCS-SHTZXODSSA-N 2 0 305.422 0.216 20 30 DCEDRP C#CC[N@@H+]1CC[C@@]2(NC(=O)COC3CC[NH+](C)CC3)CCC[C@H]12 ZINC001717839918 1183026041 /nfs/dbraw/zinc/02/60/41/1183026041.db2.gz DRFLFEITYDCCHY-WMZOPIPTSA-N 2 0 319.449 0.844 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](CC[NH2+]CCOC)C2)CC1 ZINC001724750997 1184542242 /nfs/dbraw/zinc/54/22/42/1184542242.db2.gz QYUFUIOWGUUTNZ-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CC[NH+]1CCC(CO)(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001725021826 1184659855 /nfs/dbraw/zinc/65/98/55/1184659855.db2.gz NJLLNCKZLABLKC-HUUCEWRRSA-N 2 0 309.454 0.988 20 30 DCEDRP C#CC[NH2+]CCCOC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001725217949 1184728618 /nfs/dbraw/zinc/72/86/18/1184728618.db2.gz MVTDPCVYRAAKDE-UHFFFAOYSA-N 2 0 309.454 0.947 20 30 DCEDRP CCCC[C@@H](C[NH2+]CC#CCOC)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001725233952 1184731786 /nfs/dbraw/zinc/73/17/86/1184731786.db2.gz QTNVRGSUTVUVEM-HOTGVXAUSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001725329175 1184771833 /nfs/dbraw/zinc/77/18/33/1184771833.db2.gz PGDOQMJSSAIEDR-CABCVRRESA-N 2 0 307.438 0.864 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001725347676 1184779957 /nfs/dbraw/zinc/77/99/57/1184779957.db2.gz FMWPQAIYGLFSMP-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H](C)OC)C2)CC1 ZINC001725368013 1184787645 /nfs/dbraw/zinc/78/76/45/1184787645.db2.gz DCSDJAXXIKHIPQ-BFYDXBDKSA-N 2 0 321.465 0.851 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001725593073 1184903597 /nfs/dbraw/zinc/90/35/97/1184903597.db2.gz WCPJYNLNGSKFFN-SJORKVTESA-N 2 0 321.465 0.947 20 30 DCEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001725704779 1184955372 /nfs/dbraw/zinc/95/53/72/1184955372.db2.gz KKFIQRHVJCDQPV-UKRRQHHQSA-N 2 0 306.410 0.349 20 30 DCEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001725704775 1184955952 /nfs/dbraw/zinc/95/59/52/1184955952.db2.gz KKFIQRHVJCDQPV-DZGCQCFKSA-N 2 0 306.410 0.349 20 30 DCEDRP C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001725716364 1184965685 /nfs/dbraw/zinc/96/56/85/1184965685.db2.gz XHPAPDMISQDOJE-HZPDHXFCSA-N 2 0 309.454 0.655 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001731486550 1185356119 /nfs/dbraw/zinc/35/61/19/1185356119.db2.gz DXBGEIJEBJUOMP-GASCZTMLSA-N 2 0 322.453 0.257 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CCCO)C2)CC1 ZINC001731706111 1185451230 /nfs/dbraw/zinc/45/12/30/1185451230.db2.gz XWVBYQALWALRQS-IRXDYDNUSA-N 2 0 321.465 0.731 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001731944488 1185596794 /nfs/dbraw/zinc/59/67/94/1185596794.db2.gz QVABFHJULKYOBI-KKUMJFAQSA-N 2 0 324.469 0.455 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001731946852 1185599319 /nfs/dbraw/zinc/59/93/19/1185599319.db2.gz OPIBWDSZHHFTEJ-GJZGRUSLSA-N 2 0 322.453 0.354 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001732399237 1185798917 /nfs/dbraw/zinc/79/89/17/1185798917.db2.gz ZIDZXNZTKNINTP-OAHLLOKOSA-N 2 0 307.438 0.607 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001732996541 1186096359 /nfs/dbraw/zinc/09/63/59/1186096359.db2.gz LXGRHCNCNMYCTA-UONOGXRCSA-N 2 0 310.442 0.256 20 30 DCEDRP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@@H](C)OC)CC1 ZINC001733374838 1186246651 /nfs/dbraw/zinc/24/66/51/1186246651.db2.gz BYWSOCBHOBRXSS-CVEARBPZSA-N 2 0 321.465 0.899 20 30 DCEDRP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001733398697 1186253921 /nfs/dbraw/zinc/25/39/21/1186253921.db2.gz LXSXZBYPOCSPDH-MRXNPFEDSA-N 2 0 306.454 0.180 20 30 DCEDRP C=CC[NH2+]C1CCN(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001733583459 1186341294 /nfs/dbraw/zinc/34/12/94/1186341294.db2.gz MYZJBOZKTLBVQL-UHFFFAOYSA-N 2 0 306.454 0.438 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C)C1=O ZINC001734356002 1186621698 /nfs/dbraw/zinc/62/16/98/1186621698.db2.gz IMMUEMPICMOKTI-HUUCEWRRSA-N 2 0 324.469 0.550 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCCO)C[C@H]2C)CC1 ZINC001734425802 1186650452 /nfs/dbraw/zinc/65/04/52/1186650452.db2.gz CHUIBZNPBNBJCF-GDBMZVCRSA-N 2 0 307.438 0.293 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001734449116 1186656105 /nfs/dbraw/zinc/65/61/05/1186656105.db2.gz IRYUEHUOLVFWKY-GVDBMIGSSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001734545305 1186686828 /nfs/dbraw/zinc/68/68/28/1186686828.db2.gz URKMAKACHXVBDJ-OAHLLOKOSA-N 2 0 309.454 0.942 20 30 DCEDRP C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001734545304 1186687449 /nfs/dbraw/zinc/68/74/49/1186687449.db2.gz URKMAKACHXVBDJ-HNNXBMFYSA-N 2 0 309.454 0.942 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001752366320 1188418317 /nfs/dbraw/zinc/41/83/17/1188418317.db2.gz WNRXZUOYTRBBBF-QGZVFWFLSA-N 2 0 320.481 0.618 20 30 DCEDRP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001752681022 1188432944 /nfs/dbraw/zinc/43/29/44/1188432944.db2.gz RZKSYMQIBNNUAJ-ZOBUZTSGSA-N 2 0 307.438 0.912 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001752681302 1188433134 /nfs/dbraw/zinc/43/31/34/1188433134.db2.gz GELZICVNSTWXEB-MGPQQGTHSA-N 2 0 320.437 0.010 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001753138459 1188513340 /nfs/dbraw/zinc/51/33/40/1188513340.db2.gz VBWOCOAVVBOKBW-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001753899497 1188674485 /nfs/dbraw/zinc/67/44/85/1188674485.db2.gz LGASHNNGDGUCSQ-DOTOQJQBSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001754018569 1188712545 /nfs/dbraw/zinc/71/25/45/1188712545.db2.gz VTIZYBKNCYNEAQ-PBHICJAKSA-N 2 0 322.453 0.259 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+][C@@H](C)COC)CC1 ZINC001754210132 1188787764 /nfs/dbraw/zinc/78/77/64/1188787764.db2.gz RFHPTWHIMPPHAW-NFAHFFEMSA-N 2 0 307.438 0.629 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]CCCOC)C2)CC1 ZINC001755121191 1189030027 /nfs/dbraw/zinc/03/00/27/1189030027.db2.gz FRYMNOFTCQBROD-DOTOQJQBSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001755189414 1189050922 /nfs/dbraw/zinc/05/09/22/1189050922.db2.gz PIXXDZJXZWHWDS-CVEARBPZSA-N 2 0 307.438 0.653 20 30 DCEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001755637306 1189169706 /nfs/dbraw/zinc/16/97/06/1189169706.db2.gz XEYRVRGTFQBZJA-WBVHZDCISA-N 2 0 321.465 0.874 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001755682426 1189183528 /nfs/dbraw/zinc/18/35/28/1189183528.db2.gz SIQPQYZTEIAORD-ZIAGYGMSSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001755804017 1189224655 /nfs/dbraw/zinc/22/46/55/1189224655.db2.gz HBLOVTDHZQYPSE-HRCADAONSA-N 2 0 309.454 0.491 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1=O ZINC001127701644 751645763 /nfs/dbraw/zinc/64/57/63/751645763.db2.gz SVKBQZKEECSHKO-SOUVJXGZSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]C[C@@H](C)O)[C@H](C)C2)CC1 ZINC001107033908 751777629 /nfs/dbraw/zinc/77/76/29/751777629.db2.gz DTFTWVPDTUPXPS-BFYDXBDKSA-N 2 0 321.465 0.397 20 30 DCEDRP C#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001098572521 747448371 /nfs/dbraw/zinc/44/83/71/747448371.db2.gz MIZGMIQMTHREKQ-KRWDZBQOSA-N 2 0 321.465 0.779 20 30 DCEDRP C#CCCN1CC(N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001043392920 752214564 /nfs/dbraw/zinc/21/45/64/752214564.db2.gz YMAMRLSBRJAVOA-GNHJJJEISA-N 2 0 303.406 0.016 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001077685443 752299776 /nfs/dbraw/zinc/29/97/76/752299776.db2.gz RQZHRQHTWUHRFS-HUUCEWRRSA-N 2 0 309.454 0.846 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168029153 749090414 /nfs/dbraw/zinc/09/04/14/749090414.db2.gz CWNCWWAMMRGHNW-JKSUJKDBSA-N 2 0 307.438 0.749 20 30 DCEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001088335942 749380281 /nfs/dbraw/zinc/38/02/81/749380281.db2.gz QZOCCVGLEPUVGX-OWCLPIDISA-N 2 0 307.438 0.700 20 30 DCEDRP COCC#CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001168136994 749473637 /nfs/dbraw/zinc/47/36/37/749473637.db2.gz KNHLXNTYYGVXIM-HNNXBMFYSA-N 2 0 307.438 0.464 20 30 DCEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001203431519 749898951 /nfs/dbraw/zinc/89/89/51/749898951.db2.gz MBTPEWMZQJVDSC-UHFFFAOYSA-N 2 0 322.453 0.048 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]C[C@H](C)OC)C2)CC1 ZINC001101024863 749955729 /nfs/dbraw/zinc/95/57/29/749955729.db2.gz JNNZGSYDUKRLKJ-UQPPLGOBSA-N 2 0 321.465 0.851 20 30 DCEDRP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001077132188 750218344 /nfs/dbraw/zinc/21/83/44/750218344.db2.gz RJFQEXVCCAWNFG-BZUAXINKSA-N 2 0 309.454 0.987 20 30 DCEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001113126679 762152671 /nfs/dbraw/zinc/15/26/71/762152671.db2.gz RQRRBEZNTDZWRI-PQUAAJSLSA-N 2 0 319.449 0.960 20 30 DCEDRP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001077923957 752870474 /nfs/dbraw/zinc/87/04/74/752870474.db2.gz LUKOLLUDHKPNDU-HZPDHXFCSA-N 2 0 309.454 0.844 20 30 DCEDRP C=C(C)C[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001046010130 753414115 /nfs/dbraw/zinc/41/41/15/753414115.db2.gz JALBDZPRZPLNOC-IAGOWNOFSA-N 2 0 320.481 0.875 20 30 DCEDRP C=CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC001046040446 753443148 /nfs/dbraw/zinc/44/31/48/753443148.db2.gz ITUPHKKLMJBADC-IRXDYDNUSA-N 2 0 320.481 0.875 20 30 DCEDRP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046082240 753472070 /nfs/dbraw/zinc/47/20/70/753472070.db2.gz PFCVDFLBFLTUCF-SJORKVTESA-N 2 0 318.465 0.180 20 30 DCEDRP C=CC[N@H+]1CC[C@](C)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001046696877 753881823 /nfs/dbraw/zinc/88/18/23/753881823.db2.gz XBQJPOLQWCOERT-INIZCTEOSA-N 2 0 305.426 0.825 20 30 DCEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001047427623 754271825 /nfs/dbraw/zinc/27/18/25/754271825.db2.gz ZIGARABPPIBBOW-GJZGRUSLSA-N 2 0 318.421 0.453 20 30 DCEDRP CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001047473496 754313225 /nfs/dbraw/zinc/31/32/25/754313225.db2.gz UBKNQWSYKBXUOQ-ULQDDVLXSA-N 2 0 319.449 0.388 20 30 DCEDRP CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001047584385 754411893 /nfs/dbraw/zinc/41/18/93/754411893.db2.gz RMRHYWXXPKJSBZ-IRXDYDNUSA-N 2 0 321.465 0.634 20 30 DCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COCCN3CCCC)C[C@H]2C1 ZINC001048960741 755042178 /nfs/dbraw/zinc/04/21/78/755042178.db2.gz KYWLDNRATWORMH-IXDOHACOSA-N 2 0 319.449 0.511 20 30 DCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COCCN3CCCC)C[C@H]2C1 ZINC001048960740 755042361 /nfs/dbraw/zinc/04/23/61/755042361.db2.gz KYWLDNRATWORMH-BBWFWOEESA-N 2 0 319.449 0.511 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CN(C)CCO1 ZINC001049392302 755247938 /nfs/dbraw/zinc/24/79/38/755247938.db2.gz XNWLBVBMMKJFCK-ARFHVFGLSA-N 2 0 307.438 0.958 20 30 DCEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001090353257 755655614 /nfs/dbraw/zinc/65/56/14/755655614.db2.gz ABSHPIGZWDMRRA-HOTGVXAUSA-N 2 0 319.449 0.437 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCO)CC2)CC1 ZINC001052952399 755884657 /nfs/dbraw/zinc/88/46/57/755884657.db2.gz DEZQMHUQXXWADM-KRWDZBQOSA-N 2 0 321.465 0.685 20 30 DCEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001090380890 757272112 /nfs/dbraw/zinc/27/21/12/757272112.db2.gz HGOBMJYABWZAKX-HOTGVXAUSA-N 2 0 314.389 0.994 20 30 DCEDRP C=CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001051995372 759097324 /nfs/dbraw/zinc/09/73/24/759097324.db2.gz CJYMNXWJADLLBX-IAGOWNOFSA-N 2 0 320.481 0.875 20 30 DCEDRP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117680 759190753 /nfs/dbraw/zinc/19/07/53/759190753.db2.gz XBIXISGCYIDQDB-SJORKVTESA-N 2 0 318.465 0.180 20 30 DCEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001098392797 759249518 /nfs/dbraw/zinc/24/95/18/759249518.db2.gz YZTJTRQZQZGFQZ-INIZCTEOSA-N 2 0 307.438 0.245 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147824502 767853506 /nfs/dbraw/zinc/85/35/06/767853506.db2.gz KHBJXHPCSDVAAC-UONOGXRCSA-N 2 0 310.442 0.115 20 30 DCEDRP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001052386415 759389055 /nfs/dbraw/zinc/38/90/55/759389055.db2.gz CGVZGBLNNRBYDI-HNNXBMFYSA-N 2 0 317.437 0.662 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147900203 767877330 /nfs/dbraw/zinc/87/73/30/767877330.db2.gz JVVAMRAYYPNLRP-HNNXBMFYSA-N 2 0 322.453 0.235 20 30 DCEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001086091701 759705623 /nfs/dbraw/zinc/70/56/23/759705623.db2.gz KCDLGSACGPBMPV-QKPAOTATSA-N 2 0 307.438 0.910 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001086425395 760170711 /nfs/dbraw/zinc/17/07/11/760170711.db2.gz VNICBPAENHQTSO-HDJSIYSDSA-N 2 0 309.373 0.999 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148216799 767939473 /nfs/dbraw/zinc/93/94/73/767939473.db2.gz RUWXGOBXKXEVNU-CQSZACIVSA-N 2 0 322.453 0.163 20 30 DCEDRP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343686 760417534 /nfs/dbraw/zinc/41/75/34/760417534.db2.gz XPYIMYYTKSDXJH-MRXNPFEDSA-N 2 0 313.442 0.348 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169134277 760590670 /nfs/dbraw/zinc/59/06/70/760590670.db2.gz GWMCGXNQAKLPME-HNNXBMFYSA-N 2 0 324.469 0.505 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001070475166 761262753 /nfs/dbraw/zinc/26/27/53/761262753.db2.gz HDGHRHKVBRZYKJ-IMJJTQAJSA-N 2 0 317.437 0.584 20 30 DCEDRP C=CCOCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148748584 768035457 /nfs/dbraw/zinc/03/54/57/768035457.db2.gz VFRGRIAWZDRVBY-OAHLLOKOSA-N 2 0 307.438 0.675 20 30 DCEDRP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001071104067 761621346 /nfs/dbraw/zinc/62/13/46/761621346.db2.gz INSULCPIHAUQFS-AEFFLSMTSA-N 2 0 319.449 0.701 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137395 763146468 /nfs/dbraw/zinc/14/64/68/763146468.db2.gz XHCWLTDFYZOAMV-KGLIPLIRSA-N 2 0 306.414 0.146 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100127582 763335627 /nfs/dbraw/zinc/33/56/27/763335627.db2.gz XEAMLCLGRGQALU-CVEARBPZSA-N 2 0 307.438 0.437 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](O)C1 ZINC001090489519 763419915 /nfs/dbraw/zinc/41/99/15/763419915.db2.gz NFSFSAIMPDUQRP-HUUCEWRRSA-N 2 0 307.438 0.436 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cncn1C ZINC001131127763 763661314 /nfs/dbraw/zinc/66/13/14/763661314.db2.gz BFGSXDYLBIXNTR-HUUCEWRRSA-N 2 0 317.437 0.278 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)C[NH+](CC)CC)C1 ZINC001100771129 763776576 /nfs/dbraw/zinc/77/65/76/763776576.db2.gz ZLJVDHSMBZOPMU-NFOMZHRRSA-N 2 0 324.469 0.503 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001101983026 764469006 /nfs/dbraw/zinc/46/90/06/764469006.db2.gz YGQWXGMLIXWTKD-QBPKDAKJSA-N 2 0 321.465 0.661 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133867938 765194283 /nfs/dbraw/zinc/19/42/83/765194283.db2.gz YMBYYRMQQUBAOF-HUUCEWRRSA-N 2 0 322.453 0.091 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133867935 765194469 /nfs/dbraw/zinc/19/44/69/765194469.db2.gz YMBYYRMQQUBAOF-CABCVRRESA-N 2 0 322.453 0.091 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[N@H+]2CCC(C)(C)C2)C1=O ZINC001133896653 765215392 /nfs/dbraw/zinc/21/53/92/765215392.db2.gz MZHNXUFQVDMCTF-CQSZACIVSA-N 2 0 322.453 0.211 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC001137521320 765535476 /nfs/dbraw/zinc/53/54/76/765535476.db2.gz QRMQUYJKYBSUMN-HZPDHXFCSA-N 2 0 309.454 0.988 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583981 765581019 /nfs/dbraw/zinc/58/10/19/765581019.db2.gz POPOQSXOJOIQHO-GJZGRUSLSA-N 2 0 309.454 0.993 20 30 DCEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126254 765600000 /nfs/dbraw/zinc/60/00/00/765600000.db2.gz LCNHHVQPVDXVFS-AIANPOQGSA-N 2 0 309.454 0.966 20 30 DCEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001134736659 765650782 /nfs/dbraw/zinc/65/07/82/765650782.db2.gz HXXCLVZLXKJPDH-CABCVRRESA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134768864 765662073 /nfs/dbraw/zinc/66/20/73/765662073.db2.gz GWSMTOWJHBRKEW-CABCVRRESA-N 2 0 324.469 0.646 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773640 765666485 /nfs/dbraw/zinc/66/64/85/765666485.db2.gz PVLWOINRIGVCTG-KBPBESRZSA-N 2 0 324.469 0.339 20 30 DCEDRP C=CCC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090610886 766372454 /nfs/dbraw/zinc/37/24/54/766372454.db2.gz WOTMRKWKGNBOPJ-HOTGVXAUSA-N 2 0 309.454 0.846 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001136986806 766636317 /nfs/dbraw/zinc/63/63/17/766636317.db2.gz XYZHIYUQBUJESY-SFHVURJKSA-N 2 0 317.433 0.857 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC=C)C[C@@H]2O)CC1 ZINC001090829685 766647890 /nfs/dbraw/zinc/64/78/90/766647890.db2.gz DOEOTSOFKYRYMP-SJORKVTESA-N 2 0 319.449 0.459 20 30 DCEDRP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881259 768898331 /nfs/dbraw/zinc/89/83/31/768898331.db2.gz JMIVTHKOKPAWIS-CVEARBPZSA-N 2 0 309.454 0.803 20 30 DCEDRP COCCC[NH+]1CCC(NC(=[NH2+])c2ccc(C(N)=O)cc2)CC1 ZINC001172247515 769463184 /nfs/dbraw/zinc/46/31/84/769463184.db2.gz KVZYYXGYSSCKFT-UHFFFAOYSA-N 2 0 318.421 0.992 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)CCC[NH+]2CCCC2)C1=O ZINC001152230916 769511263 /nfs/dbraw/zinc/51/12/63/769511263.db2.gz RAVFTXBVFANXAW-OAHLLOKOSA-N 2 0 322.453 0.355 20 30 DCEDRP N#Cc1ccc(CCN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001236307338 769991534 /nfs/dbraw/zinc/99/15/34/769991534.db2.gz APMPOUOGOLOPRN-UHFFFAOYSA-N 2 0 317.437 0.217 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001176285732 770060608 /nfs/dbraw/zinc/06/06/08/770060608.db2.gz QAWBFUJCALKBIJ-HNNXBMFYSA-N 2 0 324.469 0.342 20 30 DCEDRP C=CCC1(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001238239497 770108459 /nfs/dbraw/zinc/10/84/59/770108459.db2.gz CJIWUAUXQRTOBX-CYBMUJFWSA-N 2 0 313.467 0.889 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC2CCOCC2)CC1 ZINC001176926810 770226826 /nfs/dbraw/zinc/22/68/26/770226826.db2.gz VXCAITFWIQDRBY-UHFFFAOYSA-N 2 0 321.465 0.854 20 30 DCEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001154836537 770312846 /nfs/dbraw/zinc/31/28/46/770312846.db2.gz CZAOXICBNLYGEF-CVEARBPZSA-N 2 0 309.454 0.946 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001179967718 771048465 /nfs/dbraw/zinc/04/84/65/771048465.db2.gz IHSDDLWHLFFARL-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001183391406 771643448 /nfs/dbraw/zinc/64/34/48/771643448.db2.gz RIJNKXXIYMRVCG-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP C=C1C[NH2+][C@](C)(C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)C1 ZINC001158277694 771751519 /nfs/dbraw/zinc/75/15/19/771751519.db2.gz SFCLYUXYYBUDNH-HNNXBMFYSA-N 2 0 316.409 0.007 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001159911024 771975531 /nfs/dbraw/zinc/97/55/31/771975531.db2.gz WHCNOANUJLMTLM-INIZCTEOSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001160196437 772007211 /nfs/dbraw/zinc/00/72/11/772007211.db2.gz SFHLUHJYMQZYGH-IAGOWNOFSA-N 2 0 317.433 0.621 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCC[C@H](C)O)C2)CC1 ZINC001188092916 772265768 /nfs/dbraw/zinc/26/57/68/772265768.db2.gz ZYJCGOJFKYQUSZ-DOTOQJQBSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)CCC[NH+](C)C)(COC)CC1 ZINC001162441069 772373691 /nfs/dbraw/zinc/37/36/91/772373691.db2.gz GMZUKMGDSMDWHT-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001164596511 772686788 /nfs/dbraw/zinc/68/67/88/772686788.db2.gz LZQBHSORMPREKU-LSDHHAIUSA-N 2 0 307.438 0.912 20 30 DCEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001190911228 772697845 /nfs/dbraw/zinc/69/78/45/772697845.db2.gz OEJSZPZEFURNBC-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001166814309 772863345 /nfs/dbraw/zinc/86/33/45/772863345.db2.gz AVCHTTSAZKVYDM-INIZCTEOSA-N 2 0 321.465 0.995 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CC#CCOC)C12CCC2 ZINC001203576994 772914649 /nfs/dbraw/zinc/91/46/49/772914649.db2.gz MJPCRXROJXLUQZ-HZPDHXFCSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001203932420 772930203 /nfs/dbraw/zinc/93/02/03/772930203.db2.gz DTIFKNQLVQVNIG-AWEZNQCLSA-N 2 0 322.453 0.045 20 30 DCEDRP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001193024456 772996963 /nfs/dbraw/zinc/99/69/63/772996963.db2.gz ZABIXKOARLXNTO-BZUAXINKSA-N 2 0 307.438 0.456 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001206138444 773049962 /nfs/dbraw/zinc/04/99/62/773049962.db2.gz NZNTZQOGKOAOOP-AWEZNQCLSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001206307485 773065470 /nfs/dbraw/zinc/06/54/70/773065470.db2.gz IGXDNAUNBJVXAZ-HNNXBMFYSA-N 2 0 324.469 0.457 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CCC(C[NH2+]CC#CCOC)CC1 ZINC001206794721 773108130 /nfs/dbraw/zinc/10/81/30/773108130.db2.gz QRGITAVROZDHTN-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001194247322 773167565 /nfs/dbraw/zinc/16/75/65/773167565.db2.gz WOBYKXBFSPZEJT-QGZVFWFLSA-N 2 0 301.434 0.888 20 30 DCEDRP COCC#CCN1CCCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001196172052 773551784 /nfs/dbraw/zinc/55/17/84/773551784.db2.gz VNWYOEUVKMDMIA-UHFFFAOYSA-N 2 0 307.438 0.655 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209408367 773601450 /nfs/dbraw/zinc/60/14/50/773601450.db2.gz MCUMHDRZKXALRJ-OAHLLOKOSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001196498203 773610899 /nfs/dbraw/zinc/61/08/99/773610899.db2.gz CZLYAUWYMRSEFV-RBSFLKMASA-N 2 0 322.409 0.198 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210674340 773728676 /nfs/dbraw/zinc/72/86/76/773728676.db2.gz SRCFUCPPBHJYOO-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCCCCOC)CC1 ZINC001152330813 773730840 /nfs/dbraw/zinc/73/08/40/773730840.db2.gz WABNEQOCIOBRRA-UHFFFAOYSA-N 2 0 309.454 0.854 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2ccccn2)CC1 ZINC001152334921 773741550 /nfs/dbraw/zinc/74/15/50/773741550.db2.gz WFWQPHJXEGQTMN-UHFFFAOYSA-N 2 0 300.406 0.633 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)CC[NH+]2CCCCC2)C1=O ZINC001152340694 773758327 /nfs/dbraw/zinc/75/83/27/773758327.db2.gz UOKSJDIULQXJPS-OAHLLOKOSA-N 2 0 322.453 0.355 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]C[C@H](C)OC)C2)CC1 ZINC001211233951 773784281 /nfs/dbraw/zinc/78/42/81/773784281.db2.gz RSVRLAXLPBRLPQ-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730270 773879797 /nfs/dbraw/zinc/87/97/97/773879797.db2.gz KOSOACWZHJFLNM-HUUCEWRRSA-N 2 0 313.442 0.346 20 30 DCEDRP N#Cc1c(NC(=O)CN2CC[NH2+]CC2)sc2c1CC[NH2+]C2 ZINC001218552477 774245825 /nfs/dbraw/zinc/24/58/25/774245825.db2.gz GXPCKMBDHWREIO-UHFFFAOYSA-N 2 0 305.407 0.109 20 30 DCEDRP COc1cc(C#N)c(F)cc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001219110949 774375443 /nfs/dbraw/zinc/37/54/43/774375443.db2.gz ZYNZBSOKBIGMNB-JTQLQIEISA-N 2 0 312.370 0.664 20 30 DCEDRP COC(=O)c1cc(C#N)cc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c1 ZINC001219131606 774380861 /nfs/dbraw/zinc/38/08/61/774380861.db2.gz HBUJOMSKHJUIBA-AWEZNQCLSA-N 2 0 316.361 0.610 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCCO1 ZINC001200736760 774403513 /nfs/dbraw/zinc/40/35/13/774403513.db2.gz FCHKUEVPROMJRC-HOTGVXAUSA-N 2 0 309.454 0.803 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CCCO1 ZINC001200894384 774419267 /nfs/dbraw/zinc/41/92/67/774419267.db2.gz LDSFZMVXSNKHHQ-MRXNPFEDSA-N 2 0 312.373 0.788 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001201239399 774469022 /nfs/dbraw/zinc/46/90/22/774469022.db2.gz KNVWMVUMDZOZCW-UKRRQHHQSA-N 2 0 322.453 0.045 20 30 DCEDRP C[C@@H]1C[C@@H](CNC(=O)C[C@@H]([NH3+])Cc2ccccc2C#N)C[NH2+]1 ZINC001219683979 774578347 /nfs/dbraw/zinc/57/83/47/774578347.db2.gz IERAJLXWFSOZQI-IOASZLSFSA-N 2 0 300.406 0.932 20 30 DCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CCCO1 ZINC001201952891 774586745 /nfs/dbraw/zinc/58/67/45/774586745.db2.gz RLEMIMWZWVEYJH-RDJZCZTQSA-N 2 0 307.438 0.865 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCCO1 ZINC001202133610 774604919 /nfs/dbraw/zinc/60/49/19/774604919.db2.gz HDPVSMUMGPFDEB-INIZCTEOSA-N 2 0 307.438 0.703 20 30 DCEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)c1 ZINC001219847505 774626531 /nfs/dbraw/zinc/62/65/31/774626531.db2.gz JFFCEOQLTJNKNK-YHUYYLMFSA-N 2 0 314.389 0.064 20 30 DCEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220119233 774698259 /nfs/dbraw/zinc/69/82/59/774698259.db2.gz HCFVFRQFHCNXST-CABCVRRESA-N 2 0 309.454 0.988 20 30 DCEDRP C=C[C@@H]1C[C@@]1(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C(=O)OCC ZINC001220571303 774848005 /nfs/dbraw/zinc/84/80/05/774848005.db2.gz OFCYWRXTRFFWCG-WWGRRREGSA-N 2 0 311.426 0.670 20 30 DCEDRP C#CC[C@]1(C(=O)N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)CCC[NH2+]1 ZINC001220805684 774921043 /nfs/dbraw/zinc/92/10/43/774921043.db2.gz UVRIZTPQXXSAMB-NTZNESFSSA-N 2 0 303.328 0.789 20 30 DCEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](CCCC[NH3+])NC(C)=O ZINC001220868103 774938856 /nfs/dbraw/zinc/93/88/56/774938856.db2.gz BGBHROFAJMJAEO-GJZGRUSLSA-N 2 0 310.442 0.387 20 30 DCEDRP C[NH+]1CCC(CO)(NC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)CC1 ZINC001221402368 775088475 /nfs/dbraw/zinc/08/84/75/775088475.db2.gz FFGRRSQXKIHVRG-HNNXBMFYSA-N 2 0 316.405 0.001 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001225428005 775677074 /nfs/dbraw/zinc/67/70/74/775677074.db2.gz WEABRBODLFQOTH-OAHLLOKOSA-N 2 0 322.453 0.069 20 30 DCEDRP COCC#CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001225428254 775678060 /nfs/dbraw/zinc/67/80/60/775678060.db2.gz ZBKCTWAGNXRTIF-INIZCTEOSA-N 2 0 307.438 0.416 20 30 DCEDRP COCC#CC[NH+]1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001228156777 776053621 /nfs/dbraw/zinc/05/36/21/776053621.db2.gz TXEHTGPTHVNZEA-UHFFFAOYSA-N 2 0 319.449 0.845 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)C[NH+](CC)CC)CC1 ZINC001229663763 776209739 /nfs/dbraw/zinc/20/97/39/776209739.db2.gz FXRZHNHVODSULH-CQSZACIVSA-N 2 0 324.469 0.600 20 30 DCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001114853052 776252889 /nfs/dbraw/zinc/25/28/89/776252889.db2.gz XEKCUGXQRZKGAW-CBZIJGRNSA-N 2 0 319.449 0.557 20 30 DCEDRP C=CCOCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317811586 945192496 /nfs/dbraw/zinc/19/24/96/945192496.db2.gz OVGSLNUZBQJFJQ-JKSUJKDBSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001278316749 945218620 /nfs/dbraw/zinc/21/86/20/945218620.db2.gz UVDTXYGVYABQAA-CABCVRRESA-N 2 0 307.438 0.864 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)[C@H](C)COC)CC1 ZINC001266440241 939118803 /nfs/dbraw/zinc/11/88/03/939118803.db2.gz LVPAFSYLXRJNSR-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266546335 939158616 /nfs/dbraw/zinc/15/86/16/939158616.db2.gz TXJXWOYHQOCYBN-LSDHHAIUSA-N 2 0 322.453 0.069 20 30 DCEDRP C=CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001267001219 939303318 /nfs/dbraw/zinc/30/33/18/939303318.db2.gz LLGMBCNRHUXXDZ-GJZGRUSLSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001267071281 939331147 /nfs/dbraw/zinc/33/11/47/939331147.db2.gz UEZCJZRKRQOKBZ-LSDHHAIUSA-N 2 0 324.469 0.455 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC#CCOC ZINC001267154813 939361652 /nfs/dbraw/zinc/36/16/52/939361652.db2.gz LEIDXBYQMRMMRQ-HZPDHXFCSA-N 2 0 309.454 0.995 20 30 DCEDRP COCC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001267197049 939382520 /nfs/dbraw/zinc/38/25/20/939382520.db2.gz QDEJEKLBDQFZOB-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001267334014 939427473 /nfs/dbraw/zinc/42/74/73/939427473.db2.gz UWMVMKLHSZYKOC-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCN(C)C(=O)C[N@@H+](C)CCC)CC1 ZINC001267576362 939522096 /nfs/dbraw/zinc/52/20/96/939522096.db2.gz WZTAWEXCSCKHFM-UHFFFAOYSA-N 2 0 310.486 0.980 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001267808994 939686927 /nfs/dbraw/zinc/68/69/27/939686927.db2.gz CLTQNYJSXWCTRR-ZIAGYGMSSA-N 2 0 310.442 0.257 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCO)[C@H](C)C2)CC1 ZINC001268142908 939958476 /nfs/dbraw/zinc/95/84/76/939958476.db2.gz SBSSBNKRAGPSPL-NVXWUHKLSA-N 2 0 321.465 0.541 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268580033 940263571 /nfs/dbraw/zinc/26/35/71/940263571.db2.gz VMBZVQUXYSEMTG-WJNHHXLDSA-N 2 0 322.453 0.423 20 30 DCEDRP C=CCNC(=O)CN1CC[C@H](N(CC)C(=O)C[N@H+](C)C(C)C)C1 ZINC001269356572 940691229 /nfs/dbraw/zinc/69/12/29/940691229.db2.gz ROWCZEURHPSEKI-HNNXBMFYSA-N 2 0 324.469 0.552 20 30 DCEDRP C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001271201599 941320676 /nfs/dbraw/zinc/32/06/76/941320676.db2.gz SYKQWKZNVZGWLX-RDJZCZTQSA-N 2 0 309.454 0.990 20 30 DCEDRP C=C(C[NH+]1CCCC1)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001271954727 941491075 /nfs/dbraw/zinc/49/10/75/941491075.db2.gz YYFYOXZTQJPTDS-CALCHBBNSA-N 2 0 320.481 0.875 20 30 DCEDRP C=CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001271964830 941493572 /nfs/dbraw/zinc/49/35/72/941493572.db2.gz GGPCXFGUGSKDQE-PBHICJAKSA-N 2 0 318.421 0.575 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001272034318 941537554 /nfs/dbraw/zinc/53/75/54/941537554.db2.gz NUTICHVGLCNYBF-HUUCEWRRSA-N 2 0 322.453 0.306 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2cc(C)no2)CC1 ZINC001483296702 942246497 /nfs/dbraw/zinc/24/64/97/942246497.db2.gz PELSDFSHTHDBNN-AWEZNQCLSA-N 2 0 318.421 0.923 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001483490196 942382752 /nfs/dbraw/zinc/38/27/52/942382752.db2.gz YIEMBURCNFPIFI-UHFFFAOYSA-N 2 0 310.442 0.069 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001483761514 942916469 /nfs/dbraw/zinc/91/64/69/942916469.db2.gz BYGDBRTXKWBOTR-KBPBESRZSA-N 2 0 322.453 0.257 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001484042958 943113556 /nfs/dbraw/zinc/11/35/56/943113556.db2.gz CXDIANDTNWXJRG-SJLPKXTDSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCOCC1 ZINC001484190202 943185137 /nfs/dbraw/zinc/18/51/37/943185137.db2.gz GXFPXXGPSGKENN-JKSUJKDBSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001484436097 943380348 /nfs/dbraw/zinc/38/03/48/943380348.db2.gz UHEYNCDKXPXPGX-NVXWUHKLSA-N 2 0 307.438 0.457 20 30 DCEDRP C#CC[NH2+]CC[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001484521497 943441695 /nfs/dbraw/zinc/44/16/95/943441695.db2.gz SWKBRTXOTFUQSV-HNNXBMFYSA-N 2 0 317.437 0.520 20 30 DCEDRP C=C(C)C[NH2+]CC1(O)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001484963857 943634128 /nfs/dbraw/zinc/63/41/28/943634128.db2.gz YFRNZRCBAGNYKS-UHFFFAOYSA-N 2 0 307.438 0.601 20 30 DCEDRP COCC#CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001485091843 943689799 /nfs/dbraw/zinc/68/97/99/943689799.db2.gz GNWVQWKWHCYNKT-OFLPRAFFSA-N 2 0 321.465 0.993 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001276588592 944225053 /nfs/dbraw/zinc/22/50/53/944225053.db2.gz JYRDHGLDZOBNPP-IAGOWNOFSA-N 2 0 319.449 0.462 20 30 DCEDRP C=CC[NH+]1CCN(CCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001494101764 944243232 /nfs/dbraw/zinc/24/32/32/944243232.db2.gz FOCCZLDWFPCBGT-MRXNPFEDSA-N 2 0 308.470 0.590 20 30 DCEDRP C[NH+](C)CCCC(=O)NC[C@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001486030360 944510770 /nfs/dbraw/zinc/51/07/70/944510770.db2.gz SJBYMBNQIHNEGS-QGZVFWFLSA-N 2 0 317.433 0.447 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CCC(C)(C)C)CC1 ZINC001486064995 944525944 /nfs/dbraw/zinc/52/59/44/944525944.db2.gz BUZXODWSHSRBHX-INIZCTEOSA-N 2 0 323.481 0.835 20 30 DCEDRP C#CC[NH2+][C@H](CO)CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001486050069 944532896 /nfs/dbraw/zinc/53/28/96/944532896.db2.gz KPMQHFDERRRKMK-HOTGVXAUSA-N 2 0 303.406 0.379 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H](C)[NH2+]CCO)CC1 ZINC001316877223 944609638 /nfs/dbraw/zinc/60/96/38/944609638.db2.gz CIRKOFPHMDIRJZ-WBVHZDCISA-N 2 0 321.465 0.683 20 30 DCEDRP CC#CCN1CC[NH+](CCCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001316958808 944683572 /nfs/dbraw/zinc/68/35/72/944683572.db2.gz KTQYXZBEMMBIHQ-UHFFFAOYSA-N 2 0 320.481 0.618 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001317079837 944782635 /nfs/dbraw/zinc/78/26/35/944782635.db2.gz JJHKQZBQTFHMFC-SHTZXODSSA-N 2 0 305.422 0.501 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001317135901 944817839 /nfs/dbraw/zinc/81/78/39/944817839.db2.gz TZUIOTSNVIWMGL-LSDHHAIUSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317290663 944900084 /nfs/dbraw/zinc/90/00/84/944900084.db2.gz FMAXGKJCSXMIMU-GJZGRUSLSA-N 2 0 324.469 0.457 20 30 DCEDRP N#CC1(NC(=O)[C@@H]2CC23C[NH+](CC2CC[NH2+]CC2)C3)CCC1 ZINC001277821720 944994956 /nfs/dbraw/zinc/99/49/56/944994956.db2.gz MORWKBQODHHVHI-AWEZNQCLSA-N 2 0 302.422 0.870 20 30 DCEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246517894 945424793 /nfs/dbraw/zinc/42/47/93/945424793.db2.gz BUUPYJDOTFIZDX-MRXNPFEDSA-N 3 0 301.438 0.747 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001318979725 945475063 /nfs/dbraw/zinc/47/50/63/945475063.db2.gz USTJUQCSNKFYSD-KKUMJFAQSA-N 2 0 324.469 0.646 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+][C@H](C)COC)CC1 ZINC001319590682 945626274 /nfs/dbraw/zinc/62/62/74/945626274.db2.gz VLPFCLUZIJGTJI-HUUCEWRRSA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCC[C@H](O)C[NH+]1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001252595555 945967797 /nfs/dbraw/zinc/96/77/97/945967797.db2.gz IQTZJBBEZZUQKK-IXDOHACOSA-N 2 0 312.454 0.983 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001322831659 946826852 /nfs/dbraw/zinc/82/68/52/946826852.db2.gz MKJAPQHGCFVWAE-LSDHHAIUSA-N 2 0 322.453 0.163 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001324096725 947311490 /nfs/dbraw/zinc/31/14/90/947311490.db2.gz DKXDVLZGDUKHFE-CVEARBPZSA-N 2 0 309.454 0.946 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001324224819 947357442 /nfs/dbraw/zinc/35/74/42/947357442.db2.gz FILKFRRHFHUAIW-GDBMZVCRSA-N 2 0 324.469 0.455 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001325099475 947650795 /nfs/dbraw/zinc/65/07/95/947650795.db2.gz XMBUATKSYRIJGZ-GOSISDBHSA-N 2 0 321.465 0.827 20 30 DCEDRP C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001325161011 947687389 /nfs/dbraw/zinc/68/73/89/947687389.db2.gz LGNDDHRAVRPXCY-RDJZCZTQSA-N 2 0 309.454 0.846 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CCN2CCOCC2)CC1 ZINC001273457683 947749217 /nfs/dbraw/zinc/74/92/17/947749217.db2.gz QTRQQYOPDRLJFT-MRXNPFEDSA-N 2 0 307.438 0.703 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCCCCNC(=O)Cc1c[nH]cn1 ZINC001179690027 947886979 /nfs/dbraw/zinc/88/69/79/947886979.db2.gz WUFBOMUBILSSJR-UHFFFAOYSA-N 2 0 321.425 0.521 20 30 DCEDRP COCC#CC[N@H+](C)CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001273515219 947936949 /nfs/dbraw/zinc/93/69/49/947936949.db2.gz SQWBQABHAOHQBF-KRWDZBQOSA-N 2 0 321.465 0.758 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192134251 947995506 /nfs/dbraw/zinc/99/55/06/947995506.db2.gz IKLPJHNOUNLVCE-MRXNPFEDSA-N 2 0 307.438 0.511 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001327111475 948400739 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DCEDRP COCC#CC[N@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001490261843 950516002 /nfs/dbraw/zinc/51/60/02/950516002.db2.gz RXNRUOHROYXLOU-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001279578550 950635467 /nfs/dbraw/zinc/63/54/67/950635467.db2.gz YYSXAPRVUITJTE-GVDBMIGSSA-N 2 0 319.449 0.796 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](CC)[C@@H](C)C(N)=O)CC1 ZINC001490362801 950661134 /nfs/dbraw/zinc/66/11/34/950661134.db2.gz ZICKGDMPGJHYEA-AWEZNQCLSA-N 2 0 322.453 0.034 20 30 DCEDRP C=CCNC(=O)C[N@@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001280875550 951134328 /nfs/dbraw/zinc/13/43/28/951134328.db2.gz XSZOERBSBZKNAW-UHFFFAOYSA-N 2 0 322.453 0.165 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001331642707 951215829 /nfs/dbraw/zinc/21/58/29/951215829.db2.gz BXJIAQVNGMINHN-HUUCEWRRSA-N 2 0 324.469 0.600 20 30 DCEDRP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](CCCC#N)C2)C1=O ZINC001274039725 951350849 /nfs/dbraw/zinc/35/08/49/951350849.db2.gz LJZBRLDVCLXUBU-MRXNPFEDSA-N 2 0 306.410 0.693 20 30 DCEDRP CC#CC[NH2+][C@H](CO)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001331843949 951357735 /nfs/dbraw/zinc/35/77/35/951357735.db2.gz ZEHREWFEICOLRD-INIZCTEOSA-N 2 0 303.406 0.452 20 30 DCEDRP CC#CC[NH2+][C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001274197366 951475955 /nfs/dbraw/zinc/47/59/55/951475955.db2.gz GVOWNJBKOUKOQS-ZBFHGGJFSA-N 2 0 317.437 0.518 20 30 DCEDRP C#CCN1CC(N2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2)C1 ZINC001281588160 951552873 /nfs/dbraw/zinc/55/28/73/951552873.db2.gz HVNWNULZJPEYNL-UHFFFAOYSA-N 2 0 320.481 0.426 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001281634719 951569009 /nfs/dbraw/zinc/56/90/09/951569009.db2.gz OHIJEGOJCDYVJX-OAHLLOKOSA-N 2 0 307.438 0.295 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC001332386788 951624685 /nfs/dbraw/zinc/62/46/85/951624685.db2.gz GLMOEDFRWVVDDM-MRXNPFEDSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001274824571 951847316 /nfs/dbraw/zinc/84/73/16/951847316.db2.gz BRRUOFSVGODMMA-KGLIPLIRSA-N 2 0 322.453 0.400 20 30 DCEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001332971740 951870682 /nfs/dbraw/zinc/87/06/82/951870682.db2.gz DPWYKDXDCHDLBG-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CC2CC(NC(=O)CC[NH+](C)C)C2)C1=O ZINC001275285109 952045357 /nfs/dbraw/zinc/04/53/57/952045357.db2.gz YMWXJCDJUGWPJM-YMAMQOFZSA-N 2 0 322.453 0.209 20 30 DCEDRP C=CCN1CC[C@H]([NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C)C1=O ZINC001276013774 952622738 /nfs/dbraw/zinc/62/27/38/952622738.db2.gz ZPXBLQSQIWSQIA-CABCVRRESA-N 2 0 324.469 0.550 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001342694072 953302463 /nfs/dbraw/zinc/30/24/63/953302463.db2.gz ZXOUCISLTAIXHP-CHWSQXEVSA-N 2 0 309.410 0.472 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[C@@H]([NH2+]CCO)C(C)C)CC1 ZINC001282573296 953627405 /nfs/dbraw/zinc/62/74/05/953627405.db2.gz HILHHPJGVRXXJV-QGZVFWFLSA-N 2 0 323.481 0.787 20 30 DCEDRP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001284501387 955133388 /nfs/dbraw/zinc/13/33/88/955133388.db2.gz CUGDAPOPEGETPL-HNNXBMFYSA-N 2 0 309.454 0.800 20 30 DCEDRP C#CC[NH2+]CC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC001357431475 957284225 /nfs/dbraw/zinc/28/42/25/957284225.db2.gz VIBVADWZZIVREQ-QGZVFWFLSA-N 2 0 314.433 0.314 20 30 DCEDRP C#CCN1CCN(c2nnc(C)n2CC[N@@H+](C)C(C)C)CC1 ZINC001359030393 957724800 /nfs/dbraw/zinc/72/48/00/957724800.db2.gz VITNSYRVPUVYNV-UHFFFAOYSA-N 2 0 304.442 0.682 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001492077558 959555921 /nfs/dbraw/zinc/55/59/21/959555921.db2.gz GDHZHTHTZHUGRD-KGLIPLIRSA-N 2 0 324.469 0.503 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001492077560 959557178 /nfs/dbraw/zinc/55/71/78/959557178.db2.gz GDHZHTHTZHUGRD-ZIAGYGMSSA-N 2 0 324.469 0.503 20 30 DCEDRP C=CCC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001316744590 960299900 /nfs/dbraw/zinc/29/99/00/960299900.db2.gz RDERYDCUIYJKEB-JKSUJKDBSA-N 2 0 309.454 0.942 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001313437735 960302760 /nfs/dbraw/zinc/30/27/60/960302760.db2.gz DAZAUFCYCYYESD-UHFFFAOYSA-N 2 0 301.394 0.478 20 30 DCEDRP C=C(Cl)C[NH2+][C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001381049247 963783240 /nfs/dbraw/zinc/78/32/40/963783240.db2.gz UCTBIGGPJSGWIN-AWEZNQCLSA-N 2 0 303.834 0.634 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCCCNC(=O)[C@H](CC)[NH+](C)C ZINC001522954407 1014489610 /nfs/dbraw/zinc/48/96/10/1014489610.db2.gz RPIDCQJWJKKWNR-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC001394577953 993856608 /nfs/dbraw/zinc/85/66/08/993856608.db2.gz KKTSKZRLBHYMEI-JKSUJKDBSA-N 2 0 316.405 0.219 20 30 DCEDRP C#CC[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001503003908 1016146049 /nfs/dbraw/zinc/14/60/49/1016146049.db2.gz UFBXVABOARCHOU-CABCVRRESA-N 2 0 307.438 0.700 20 30 DCEDRP C#CCN1CC[NH+](CCCCCNC(=O)C[NH+]2CCCC2)CC1 ZINC001503743080 1016172507 /nfs/dbraw/zinc/17/25/07/1016172507.db2.gz CZEJBZRQKXFYPO-UHFFFAOYSA-N 2 0 320.481 0.620 20 30 DCEDRP C=C(Cl)CN1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001402287421 1001179867 /nfs/dbraw/zinc/17/98/67/1001179867.db2.gz KKHYWOMBGXUOMH-JSGCOSHPSA-N 2 0 301.818 0.244 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CCO1 ZINC001402611930 1001440364 /nfs/dbraw/zinc/44/03/64/1001440364.db2.gz XPMAOOWRBVPKAQ-GXTWGEPZSA-N 2 0 315.845 0.898 20 30 DCEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC001420090957 1001839667 /nfs/dbraw/zinc/83/96/67/1001839667.db2.gz AXVZJFLBZLHKNX-RISCZKNCSA-N 2 0 322.434 0.281 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC001420153006 1001949071 /nfs/dbraw/zinc/94/90/71/1001949071.db2.gz YRCFSKGEWKPCGE-HNNXBMFYSA-N 2 0 304.394 0.077 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001479326224 1017498431 /nfs/dbraw/zinc/49/84/31/1017498431.db2.gz BSWZUFOMXVICBX-CALCHBBNSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001506850836 1017611276 /nfs/dbraw/zinc/61/12/76/1017611276.db2.gz FWSBTAOKGDTHPZ-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C2(CNC(=O)C[N@@H+](C)C(C)C)CC2)C1=O ZINC001499458869 1017941795 /nfs/dbraw/zinc/94/17/95/1017941795.db2.gz QQDHHVRFXKONEC-AWEZNQCLSA-N 2 0 322.453 0.352 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001499931667 1018141229 /nfs/dbraw/zinc/14/12/29/1018141229.db2.gz OVVSMMIZJOKKQK-INIZCTEOSA-N 2 0 317.437 0.662 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001495014855 1018239539 /nfs/dbraw/zinc/23/95/39/1018239539.db2.gz QNYAGTNIVVOWED-CQSZACIVSA-N 2 0 322.453 0.401 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C/C=C/CNC(=O)C[NH+]2CCCC2)C1=O ZINC001497751491 1018388943 /nfs/dbraw/zinc/38/89/43/1018388943.db2.gz ZLCQGHHEKRPHLL-NHZBNJEXSA-N 2 0 320.437 0.131 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]CC#CCOC ZINC001480364944 1018466760 /nfs/dbraw/zinc/46/67/60/1018466760.db2.gz KALQNQADYPHHPF-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001495567342 1018578381 /nfs/dbraw/zinc/57/83/81/1018578381.db2.gz PQGWHJWODVSYSU-RBSFLKMASA-N 2 0 324.469 0.598 20 30 DCEDRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC#CCOC)C1)[NH+](CC)CC ZINC001480620152 1018713666 /nfs/dbraw/zinc/71/36/66/1018713666.db2.gz ROVJIWSSHRZIGG-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCC[NH+]1CCC[C@](CO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001501359495 1019091020 /nfs/dbraw/zinc/09/10/20/1019091020.db2.gz DKNBPXOLCOSLQF-WBVHZDCISA-N 2 0 309.454 0.847 20 30 DCEDRP C[NH+]1CCC(CNC(=[NH2+])NCC2CCC2)(N2CCOCC2)CC1 ZINC000263140198 530048489 /nfs/dbraw/zinc/04/84/89/530048489.db2.gz ODUUAWJWNGZPET-UHFFFAOYSA-N 2 0 323.485 0.487 20 30 DCEDRP C[NH+](C)C1CN(c2ccc(C#N)c(N3CC([NH+](C)C)C3)n2)C1 ZINC000276492482 396003549 /nfs/dbraw/zinc/00/35/49/396003549.db2.gz QCNYKMZCFYFVKN-UHFFFAOYSA-N 2 0 300.410 0.454 20 30 DCEDRP c1cnc(N2CC[NH+](CCCCNC3=[NH+]CCCN3)CC2)nc1 ZINC000352576874 397139218 /nfs/dbraw/zinc/13/92/18/397139218.db2.gz LLIUVPBRLCAVBT-UHFFFAOYSA-N 2 0 317.441 0.318 20 30 DCEDRP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC1 ZINC000365845171 397324858 /nfs/dbraw/zinc/32/48/58/397324858.db2.gz VISZGASFCKWNQG-CYBMUJFWSA-N 2 0 301.394 0.785 20 30 DCEDRP C[C@@H]1C[NH+]=C(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)N1 ZINC000284970213 415605125 /nfs/dbraw/zinc/60/51/25/415605125.db2.gz GCIDOPGPUZVHGW-CQSZACIVSA-N 3 0 302.426 0.531 20 30 DCEDRP C=CCCS(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000155312863 415996308 /nfs/dbraw/zinc/99/63/08/415996308.db2.gz PVOPUVQIZNSTLU-UHFFFAOYSA-N 2 0 303.472 0.850 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CCCOC)CC2)CC1 ZINC000171122528 416035907 /nfs/dbraw/zinc/03/59/07/416035907.db2.gz YTXQXSGPDMSOFL-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339438164 416157780 /nfs/dbraw/zinc/15/77/80/416157780.db2.gz ASIXAIRLDWTZGK-BBRMVZONSA-N 2 0 308.426 0.804 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000342103718 416282881 /nfs/dbraw/zinc/28/28/81/416282881.db2.gz JMWYNFJHBUIGSO-ZDUSSCGKSA-N 2 0 322.453 0.352 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000419725697 416406221 /nfs/dbraw/zinc/40/62/21/416406221.db2.gz IWMWDGWUFSUJDP-UONOGXRCSA-N 2 0 322.453 0.352 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000419725698 416406562 /nfs/dbraw/zinc/40/65/62/416406562.db2.gz IWMWDGWUFSUJDP-ZIAGYGMSSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000491651891 416609306 /nfs/dbraw/zinc/60/93/06/416609306.db2.gz JTSFKFIVVZEBTH-UHFFFAOYSA-N 2 0 323.485 0.267 20 30 DCEDRP C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567894694 417068623 /nfs/dbraw/zinc/06/86/23/417068623.db2.gz OLZYOJYJVCTARR-HNNXBMFYSA-N 2 0 307.438 0.874 20 30 DCEDRP C=CC[C@@]1(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CCC[NH2+]1 ZINC000662783228 417901588 /nfs/dbraw/zinc/90/15/88/417901588.db2.gz CSDVWDGDFRTDBY-YOEHRIQHSA-N 2 0 307.438 0.899 20 30 DCEDRP C[C@]12COC[C@@H]1C[NH+](CC#CC[N@H+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000661702906 418357337 /nfs/dbraw/zinc/35/73/37/418357337.db2.gz IJBPAPKIXQSATJ-XSLAGTTESA-N 2 0 304.434 0.926 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171306737 275383950 /nfs/dbraw/zinc/38/39/50/275383950.db2.gz HRZRXYNHTMSUKQ-XHSDSOJGSA-N 2 0 321.465 0.946 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]C[C@H](CC)OC)CC1 ZINC001567611540 1160440700 /nfs/dbraw/zinc/44/07/00/1160440700.db2.gz LNJKDUPNRCIMDM-INIZCTEOSA-N 2 0 309.454 0.805 20 30 DCEDRP COc1ccc(NC(=[NH2+])NC[C@@H]2C[N@H+](C)CCN2C)cc1OC ZINC000267433908 533990173 /nfs/dbraw/zinc/99/01/73/533990173.db2.gz NIEGNRTXTJHXFC-CYBMUJFWSA-N 2 0 321.425 0.676 20 30 DCEDRP C[NH+]=C(NCc1nnc(C)n1C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000261977421 526391352 /nfs/dbraw/zinc/39/13/52/526391352.db2.gz NZYDRPUAMLWPRK-CQSZACIVSA-N 2 0 319.457 0.759 20 30 DCEDRP C=CC[NH+]1CCC(NC(NC[C@@]2(O)CCSC2)=[NH+]C)CC1 ZINC000262412661 526415112 /nfs/dbraw/zinc/41/51/12/526415112.db2.gz PPCSKDQCGQYCEA-HNNXBMFYSA-N 2 0 312.483 0.670 20 30 DCEDRP C#CCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](CCOC)CC1 ZINC001671507659 1175016715 /nfs/dbraw/zinc/01/67/15/1175016715.db2.gz GEKSJOAYYPZNMR-UHFFFAOYSA-N 2 0 309.454 0.899 20 30 DCEDRP C#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)C(C)(C)C1 ZINC000977654348 660411136 /nfs/dbraw/zinc/41/11/36/660411136.db2.gz KSAUWMXTYBZNCN-MRXNPFEDSA-N 2 0 301.434 0.791 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCO)CC2(C)C)CC1 ZINC000977660293 660412244 /nfs/dbraw/zinc/41/22/44/660412244.db2.gz YRDUFGCTBXICJT-MRXNPFEDSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001027686838 660620430 /nfs/dbraw/zinc/62/04/30/660620430.db2.gz XWBFFYDNAWGFNB-HZPDHXFCSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000981095250 661078045 /nfs/dbraw/zinc/07/80/45/661078045.db2.gz VJAYEBHQVSBHPO-CABCVRRESA-N 2 0 317.437 0.709 20 30 DCEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC000981689307 661195443 /nfs/dbraw/zinc/19/54/43/661195443.db2.gz RUXMOGNJCKDCQI-OAHLLOKOSA-N 2 0 307.438 0.818 20 30 DCEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001022452508 657935416 /nfs/dbraw/zinc/93/54/16/657935416.db2.gz NEXHUVLRQGTLMQ-HJTLVLNNSA-N 2 0 305.422 0.663 20 30 DCEDRP C#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001023550903 657978663 /nfs/dbraw/zinc/97/86/63/657978663.db2.gz PPJWYYOOUVPEJT-CVEARBPZSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001023553214 657981411 /nfs/dbraw/zinc/98/14/11/657981411.db2.gz XRGVHSNWQZFWOX-IAGOWNOFSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+]([C@H](C)COC)C2)CC1 ZINC000970922632 658085043 /nfs/dbraw/zinc/08/50/43/658085043.db2.gz ZUIBSEJTMCEVCX-HUUCEWRRSA-N 2 0 321.465 0.803 20 30 DCEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000970192193 658720582 /nfs/dbraw/zinc/72/05/82/658720582.db2.gz YDEWCYMDJWKCRL-RZZRIIHNSA-N 2 0 305.422 0.472 20 30 DCEDRP C#CCC[NH+]1CC(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001031838306 665619710 /nfs/dbraw/zinc/61/97/10/665619710.db2.gz UJRUCARSNXOEKM-UHFFFAOYSA-N 2 0 309.373 0.952 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]C[C@@H](C)O)C2)CC1 ZINC000999870606 665704883 /nfs/dbraw/zinc/70/48/83/665704883.db2.gz NSKXUHXIWPYACP-IUDNXUCKSA-N 2 0 307.438 0.291 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028699519 661766706 /nfs/dbraw/zinc/76/67/06/661766706.db2.gz ZLQJGGQKJTXYOG-VUGNNNGISA-N 2 0 317.433 0.311 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]([C@H](C)COC)C2)CC1 ZINC001029002874 661930277 /nfs/dbraw/zinc/93/02/77/661930277.db2.gz CWKIAJWPCGSPMF-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH+]1CCC(Nc2nccc(N3CCOCC3)n2)CC1 ZINC000895808974 662217240 /nfs/dbraw/zinc/21/72/40/662217240.db2.gz OYHYWBMXPPKJQA-UHFFFAOYSA-N 2 0 301.394 0.823 20 30 DCEDRP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000989543381 662957243 /nfs/dbraw/zinc/95/72/43/662957243.db2.gz KZNXWYRCWXNSRZ-DZGCQCFKSA-N 2 0 305.426 0.823 20 30 DCEDRP Cc1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1C#N ZINC000905578986 663566576 /nfs/dbraw/zinc/56/65/76/663566576.db2.gz GQQXFRCCVHESQO-QGZVFWFLSA-N 2 0 302.422 0.565 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000911236088 664008835 /nfs/dbraw/zinc/00/88/35/664008835.db2.gz MTVGTIWHLNDLCZ-CQSZACIVSA-N 2 0 322.453 0.257 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NC1C[NH+](CC2CCOCC2)C1 ZINC001030463672 664553763 /nfs/dbraw/zinc/55/37/63/664553763.db2.gz SXQHYUFOIDDPKO-INIZCTEOSA-N 2 0 305.422 0.311 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CCOC(C)(C)C1 ZINC000170912905 664595621 /nfs/dbraw/zinc/59/56/21/664595621.db2.gz JZVMHFKPKIHFSY-CQSZACIVSA-N 2 0 311.474 0.486 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000914161158 664756353 /nfs/dbraw/zinc/75/63/53/664756353.db2.gz RUIQGQOKQVEUDH-AWEZNQCLSA-N 2 0 304.438 0.868 20 30 DCEDRP CC#CC[N@H+](CCNC(=O)[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001266619400 1157487758 /nfs/dbraw/zinc/48/77/58/1157487758.db2.gz LJOWGLNKKLQENB-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000917224931 665122300 /nfs/dbraw/zinc/12/23/00/665122300.db2.gz YTICLHFRDOASND-HNNXBMFYSA-N 2 0 321.469 0.019 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001003007320 666260533 /nfs/dbraw/zinc/26/05/33/666260533.db2.gz GFIBFAQBKWSLRJ-QGZVFWFLSA-N 2 0 319.449 0.844 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001005518471 666943618 /nfs/dbraw/zinc/94/36/18/666943618.db2.gz LLFYWGNDEIZYJC-ZBFHGGJFSA-N 2 0 307.438 0.388 20 30 DCEDRP C#CC[N@H+]1CCCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001034208721 666955388 /nfs/dbraw/zinc/95/53/88/666955388.db2.gz DVVKRRNWUAOIOW-HNNXBMFYSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001034654042 667091395 /nfs/dbraw/zinc/09/13/95/667091395.db2.gz WOLLSELWLHKNEH-FPCVCCKLSA-N 2 0 305.422 0.500 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]C[C@H](C)O)CC2)CC1 ZINC001034795421 667148229 /nfs/dbraw/zinc/14/82/29/667148229.db2.gz DAYXFBXKYUBNCX-XIRDDKMYSA-N 2 0 321.465 0.729 20 30 DCEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CC2 ZINC001035712672 667402711 /nfs/dbraw/zinc/40/27/11/667402711.db2.gz KOWZSIIALPNQEH-HOTGVXAUSA-N 2 0 319.449 0.960 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[C@@H]([NH+]3CCCC3)C1)C2 ZINC000884209533 667500119 /nfs/dbraw/zinc/50/01/19/667500119.db2.gz CCCWJYZWBPRMEY-GYMHETDLSA-N 2 0 302.422 0.822 20 30 DCEDRP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515973 667551607 /nfs/dbraw/zinc/55/16/07/667551607.db2.gz PHYKTUZQZKFRFU-ARFHVFGLSA-N 2 0 301.390 0.839 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NCCN(C(=O)C(=C)C[NH+](C)C)C1CC1 ZINC000764474592 668449048 /nfs/dbraw/zinc/44/90/48/668449048.db2.gz YWWAGBAZZNUQLQ-UHFFFAOYSA-N 2 0 322.453 0.329 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000876782966 668510693 /nfs/dbraw/zinc/51/06/93/668510693.db2.gz XBYCSKJUBJOBNJ-WCQYABFASA-N 2 0 302.850 0.456 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000948070566 670053441 /nfs/dbraw/zinc/05/34/41/670053441.db2.gz QRJAEHBRBZAGKG-GOEBONIOSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](CC#C)CC3)CC[C@@H]21 ZINC001036902549 670270791 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C=CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214497 687446121 /nfs/dbraw/zinc/44/61/21/687446121.db2.gz IIIZJNGQDYTMHY-LSDHHAIUSA-N 2 0 307.438 0.600 20 30 DCEDRP CC#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958261773 687490355 /nfs/dbraw/zinc/49/03/55/687490355.db2.gz AQGUNGOFRCYNIO-ZBFHGGJFSA-N 2 0 312.373 0.380 20 30 DCEDRP C=CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958262113 687490691 /nfs/dbraw/zinc/49/06/91/687490691.db2.gz GXRXYDWLICCGCE-ZBFHGGJFSA-N 2 0 314.389 0.933 20 30 DCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000959952316 688267669 /nfs/dbraw/zinc/26/76/69/688267669.db2.gz IZTQDXKYNGVVPJ-FOLVSLTJSA-N 2 0 315.421 0.128 20 30 DCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000962011805 688789535 /nfs/dbraw/zinc/78/95/35/688789535.db2.gz RALHWMQYZQIMFZ-ZSHCYNCHSA-N 2 0 315.421 0.128 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001009628473 691077492 /nfs/dbraw/zinc/07/74/92/691077492.db2.gz OVBNZLVQUASRGO-QGZVFWFLSA-N 2 0 301.434 0.936 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015322175 692263468 /nfs/dbraw/zinc/26/34/68/692263468.db2.gz ASEIBMLGLCKLMY-DGNOSDGRSA-N 2 0 305.422 0.616 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC23CC[NH+](CCO)CC3)CC1 ZINC001016985633 692820894 /nfs/dbraw/zinc/82/08/94/692820894.db2.gz LPRQMDZSLQEFPM-INIZCTEOSA-N 2 0 319.449 0.295 20 30 DCEDRP C#CCC[N@H+]1CCC2(CN(C(=O)C3CC[NH+](CC#C)CC3)C2)C1 ZINC001073457182 694728890 /nfs/dbraw/zinc/72/88/90/694728890.db2.gz DWMNAMQNCCQBFQ-UHFFFAOYSA-N 2 0 313.445 0.889 20 30 DCEDRP C#CCC[NH2+]CC1CC(NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001570582350 1162550441 /nfs/dbraw/zinc/55/04/41/1162550441.db2.gz FYYIBXSZSLAKER-UHFFFAOYSA-N 2 0 301.434 0.839 20 30 DCEDRP COCC#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001571328704 1162702237 /nfs/dbraw/zinc/70/22/37/1162702237.db2.gz DIYMZCPCPOTIJO-INIZCTEOSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001571606749 1162856965 /nfs/dbraw/zinc/85/69/65/1162856965.db2.gz UQMKQCORBVIYSR-JKSUJKDBSA-N 2 0 309.454 0.635 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001691146589 1157595341 /nfs/dbraw/zinc/59/53/41/1157595341.db2.gz AUDSTXHJKLIYOX-XIRDDKMYSA-N 2 0 319.449 0.462 20 30 DCEDRP COCC#CC[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001571664642 1162884212 /nfs/dbraw/zinc/88/42/12/1162884212.db2.gz PNOKVWGKCBNDGQ-QQFBHYJXSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1OCC ZINC001565948806 1159929793 /nfs/dbraw/zinc/92/97/93/1159929793.db2.gz PFQMVXIUHCFUPO-BRWVUGGUSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1OCC ZINC001565957024 1159932106 /nfs/dbraw/zinc/93/21/06/1159932106.db2.gz VEQVRAUTLVPYOP-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001566717701 1160136612 /nfs/dbraw/zinc/13/66/12/1160136612.db2.gz UOQZNOWAOPPGTI-MRXNPFEDSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](C)OC)C2)CC1 ZINC001566863174 1160170454 /nfs/dbraw/zinc/17/04/54/1160170454.db2.gz SQZSXWDJOQNAGZ-CWRNSKLLSA-N 2 0 307.438 0.603 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001566965969 1160195975 /nfs/dbraw/zinc/19/59/75/1160195975.db2.gz PHDPIAXKLGUQRJ-JKSUJKDBSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]C[C@H](C)OC)CC1 ZINC001567241058 1160281892 /nfs/dbraw/zinc/28/18/92/1160281892.db2.gz SNFAOGZKAYAZQN-CABCVRRESA-N 2 0 309.454 0.851 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CC[C@@]2(CC[NH+](CC#CCOC)C2)C1 ZINC001569481336 1161073047 /nfs/dbraw/zinc/07/30/47/1161073047.db2.gz UHXJWJOKYIBFGA-GOSISDBHSA-N 2 0 321.465 0.902 20 30 DCEDRP C=C(C)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001569748786 1161220939 /nfs/dbraw/zinc/22/09/39/1161220939.db2.gz IWGYJVZTSIMOGR-UXLLHSPISA-N 2 0 309.454 0.846 20 30 DCEDRP C=CCC[C@@H](C)[NH+]1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001569781956 1161245136 /nfs/dbraw/zinc/24/51/36/1161245136.db2.gz MGRXECMOEUNXTL-CQSZACIVSA-N 2 0 309.454 0.846 20 30 DCEDRP CC#CC[NH2+][C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1C ZINC001570344482 1161574989 /nfs/dbraw/zinc/57/49/89/1161574989.db2.gz PKNVMEGFIBOUOG-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001661157492 1174102377 /nfs/dbraw/zinc/10/23/77/1174102377.db2.gz TUPLBKCGLKJMOC-BHYGNILZSA-N 2 0 321.465 0.851 20 30 DCEDRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC#CCOC)C1 ZINC001662792109 1174241884 /nfs/dbraw/zinc/24/18/84/1174241884.db2.gz VIDJHLUQTYUMMN-CVEARBPZSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CCC[N@H+](CC)CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001663396063 1174295610 /nfs/dbraw/zinc/29/56/10/1174295610.db2.gz FNRAXDZRFMMZNU-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@](C)(C[NH2+]CCOC)C2CC2)CC1 ZINC001666043499 1174581891 /nfs/dbraw/zinc/58/18/91/1174581891.db2.gz MGCYHGPGQDIPPL-GOSISDBHSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CCOCC)CC1 ZINC001667058893 1174659397 /nfs/dbraw/zinc/65/93/97/1174659397.db2.gz LCTVHLCKBCGEJP-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH2+]C[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C1CCCC1 ZINC001671564819 1175018799 /nfs/dbraw/zinc/01/87/99/1175018799.db2.gz YGJCTGCXHIVLMG-WBVHZDCISA-N 2 0 321.465 0.853 20 30 DCEDRP C#CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001672701818 1175145689 /nfs/dbraw/zinc/14/56/89/1175145689.db2.gz GTKHIHRMBZFSJD-CVEARBPZSA-N 2 0 309.454 0.541 20 30 DCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001673677022 1175223485 /nfs/dbraw/zinc/22/34/85/1175223485.db2.gz ZPSFMAIFRBSQBA-RDJZCZTQSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001673802518 1175232136 /nfs/dbraw/zinc/23/21/36/1175232136.db2.gz DYQASEQRDLMDFV-RRFJBIMHSA-N 2 0 322.453 0.045 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001674100760 1175253584 /nfs/dbraw/zinc/25/35/84/1175253584.db2.gz RCVCQXMHXCKGQC-UHFFFAOYSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1OCC ZINC001691752763 1175311692 /nfs/dbraw/zinc/31/16/92/1175311692.db2.gz KBXCSLZLJMHVGZ-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001675777561 1175391936 /nfs/dbraw/zinc/39/19/36/1175391936.db2.gz VQFFDZMSEKLFRD-WKILWMFISA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001676079408 1175417674 /nfs/dbraw/zinc/41/76/74/1175417674.db2.gz PFDRQRWZZYZMSF-OAHLLOKOSA-N 2 0 307.438 0.511 20 30 DCEDRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC#CC[NH+](C)C ZINC001676929852 1175504611 /nfs/dbraw/zinc/50/46/11/1175504611.db2.gz DQZIWQJRIRWULW-OAHLLOKOSA-N 2 0 322.453 0.446 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001677138541 1175535313 /nfs/dbraw/zinc/53/53/13/1175535313.db2.gz SSYALEAXMCLGNR-KRWDZBQOSA-N 2 0 317.433 0.794 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001677448418 1175564536 /nfs/dbraw/zinc/56/45/36/1175564536.db2.gz IEARMASOYAPMLY-NFOMZHRRSA-N 2 0 322.453 0.044 20 30 DCEDRP C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001677511400 1175572534 /nfs/dbraw/zinc/57/25/34/1175572534.db2.gz RMGATQVJSICANG-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001688943801 1176661689 /nfs/dbraw/zinc/66/16/89/1176661689.db2.gz AUPDDZRHYIPBCV-KOMQPUFPSA-N 2 0 307.438 0.462 20 30 DCEDRP CC#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[N@H+](C)C(C)C)n1 ZINC001689141827 1176708138 /nfs/dbraw/zinc/70/81/38/1176708138.db2.gz DNNQFZOXWUHLSH-UHFFFAOYSA-N 2 0 319.409 0.252 20 30 DCEDRP C#CC[N@@H+](C)CCOCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001689246469 1176763340 /nfs/dbraw/zinc/76/33/40/1176763340.db2.gz LWWYVBIAWKYYDG-UHFFFAOYSA-N 2 0 307.438 0.655 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)CC#CCOC ZINC001689806112 1177062436 /nfs/dbraw/zinc/06/24/36/1177062436.db2.gz YDLBVBGKHWLPSU-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP COCC#CC[NH+]1CCC(N(C)C(=O)CCC[NH+](C)C)CC1 ZINC001690026001 1177146347 /nfs/dbraw/zinc/14/63/47/1177146347.db2.gz LOIWILVRMYDLBT-UHFFFAOYSA-N 2 0 309.454 0.901 20 30 DCEDRP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001690092085 1177169639 /nfs/dbraw/zinc/16/96/39/1177169639.db2.gz VMHNATLNNVIUBB-CVEARBPZSA-N 2 0 307.438 0.721 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCOC)C2)CC1 ZINC001690787591 1177325518 /nfs/dbraw/zinc/32/55/18/1177325518.db2.gz JVXJECYENNRWFS-IAGOWNOFSA-N 2 0 321.465 0.995 20 30 DCEDRP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC#CCOC)C1 ZINC001691934850 1177386576 /nfs/dbraw/zinc/38/65/76/1177386576.db2.gz GAJJACIOMMJNNC-JKSUJKDBSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CC[NH+](C)CCOCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001692095026 1177416285 /nfs/dbraw/zinc/41/62/85/1177416285.db2.gz MRYNIQMSUMIJHO-JKSUJKDBSA-N 2 0 309.454 0.757 20 30 DCEDRP C#CCC[NH+](CCO)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001692245151 1177460136 /nfs/dbraw/zinc/46/01/36/1177460136.db2.gz MCJGTUPZLIIKJJ-IAGOWNOFSA-N 2 0 321.465 0.637 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001698844394 1177691167 /nfs/dbraw/zinc/69/11/67/1177691167.db2.gz LTPUCCYPZOVKLI-CYBMUJFWSA-N 2 0 310.442 0.067 20 30 DCEDRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC#CCOC ZINC001699033841 1177780426 /nfs/dbraw/zinc/78/04/26/1177780426.db2.gz GMWQYXRTLFOVPR-CVEARBPZSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001699060029 1177811212 /nfs/dbraw/zinc/81/12/12/1177811212.db2.gz CAEDQRWIBIZTBP-HZPDHXFCSA-N 2 0 307.438 0.483 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699757207 1178277079 /nfs/dbraw/zinc/27/70/79/1178277079.db2.gz OWBFGXVNFBHBFL-ULQDDVLXSA-N 2 0 321.465 0.947 20 30 DCEDRP C=C(Cl)C[NH2+]CCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001700042027 1178455826 /nfs/dbraw/zinc/45/58/26/1178455826.db2.gz ILGRAPPELKBGMT-UHFFFAOYSA-N 2 0 301.818 0.245 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001700278155 1178564812 /nfs/dbraw/zinc/56/48/12/1178564812.db2.gz NVNMUPZZHXVESV-KBPBESRZSA-N 2 0 310.442 0.065 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001700848371 1178776315 /nfs/dbraw/zinc/77/63/15/1178776315.db2.gz DSTNKLUGSGKOMX-UONOGXRCSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001700963398 1178840205 /nfs/dbraw/zinc/84/02/05/1178840205.db2.gz CBVWZJVZADZXDD-HZPDHXFCSA-N 2 0 309.454 0.491 20 30 DCEDRP C#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001700963399 1178842195 /nfs/dbraw/zinc/84/21/95/1178842195.db2.gz CBVWZJVZADZXDD-JKSUJKDBSA-N 2 0 309.454 0.491 20 30 DCEDRP C=CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001707213480 1180437309 /nfs/dbraw/zinc/43/73/09/1180437309.db2.gz PUAXWOPCPBRHQY-HZPDHXFCSA-N 2 0 309.454 0.800 20 30 DCEDRP C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001707211344 1180437468 /nfs/dbraw/zinc/43/74/68/1180437468.db2.gz CMXOQJDKKHSDOZ-MRXNPFEDSA-N 2 0 307.438 0.391 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2)C1=O ZINC001713205847 1180719078 /nfs/dbraw/zinc/71/90/78/1180719078.db2.gz SSKOFGMPWNVABA-BARDWOONSA-N 2 0 322.453 0.350 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCOCC)CC1 ZINC001713520329 1180891108 /nfs/dbraw/zinc/89/11/08/1180891108.db2.gz SGMZQEYQXDPZIQ-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713536312 1180908832 /nfs/dbraw/zinc/90/88/32/1180908832.db2.gz VJXSYGYCSKOKQF-HNNXBMFYSA-N 2 0 307.438 0.416 20 30 DCEDRP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001713541626 1180910864 /nfs/dbraw/zinc/91/08/64/1180910864.db2.gz LYVJOIUKTZMPLJ-HZPDHXFCSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001713742906 1181037226 /nfs/dbraw/zinc/03/72/26/1181037226.db2.gz ODBNHBBITKEEQS-QGZVFWFLSA-N 2 0 320.481 0.590 20 30 DCEDRP C=CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001713939286 1181161253 /nfs/dbraw/zinc/16/12/53/1181161253.db2.gz DOUBTZBSNFOTFJ-PMPSAXMXSA-N 2 0 307.438 0.816 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001713958717 1181172969 /nfs/dbraw/zinc/17/29/69/1181172969.db2.gz NDMPSMPHDHNWLM-UMVBOHGHSA-N 2 0 310.442 0.112 20 30 DCEDRP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001714049782 1181223973 /nfs/dbraw/zinc/22/39/73/1181223973.db2.gz KRBNBTCAABZPKX-IAGOWNOFSA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CC[NH2+]C[C@@](C)(NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001714179283 1181274299 /nfs/dbraw/zinc/27/42/99/1181274299.db2.gz ZOTMALZZSGARIW-QGZVFWFLSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]C[C@@H](C)O)CCCC2)CC1 ZINC001714514235 1181397729 /nfs/dbraw/zinc/39/77/29/1181397729.db2.gz TVWMLJDGBHDQJY-OAHLLOKOSA-N 2 0 321.465 0.731 20 30 DCEDRP C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001714908265 1181597330 /nfs/dbraw/zinc/59/73/30/1181597330.db2.gz MCQBGHBXRQPIDE-OAHLLOKOSA-N 2 0 322.453 0.165 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CC#CCOC ZINC001714996151 1181638233 /nfs/dbraw/zinc/63/82/33/1181638233.db2.gz WDBJIUIRNDNTTK-HOTGVXAUSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+][C@@H](C)COC)CC1 ZINC001715270630 1181745545 /nfs/dbraw/zinc/74/55/45/1181745545.db2.gz GPUHNNXFIGQDHP-GJZGRUSLSA-N 2 0 309.454 0.708 20 30 DCEDRP C#CC[NH2+][C@@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)C(C)C ZINC001715592973 1181881584 /nfs/dbraw/zinc/88/15/84/1181881584.db2.gz DSBWMCFGAVSDEK-HNNXBMFYSA-N 2 0 309.454 0.708 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001716092880 1182185982 /nfs/dbraw/zinc/18/59/82/1182185982.db2.gz FTKNWGXORPCAMN-HNNXBMFYSA-N 2 0 309.454 0.729 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001716249394 1182276501 /nfs/dbraw/zinc/27/65/01/1182276501.db2.gz WHLXEECHOHUQST-AWEZNQCLSA-N 2 0 322.453 0.211 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001716443862 1182392512 /nfs/dbraw/zinc/39/25/12/1182392512.db2.gz NIJWOTDRCQQUOO-JKSUJKDBSA-N 2 0 309.454 0.851 20 30 DCEDRP C=C(C)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCOCC1 ZINC001716909227 1182565669 /nfs/dbraw/zinc/56/56/69/1182565669.db2.gz XWJMMWIFYZPPGS-UHFFFAOYSA-N 2 0 307.438 0.913 20 30 DCEDRP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001716918524 1182572171 /nfs/dbraw/zinc/57/21/71/1182572171.db2.gz HTJQIWOOCGUSPI-WMZOPIPTSA-N 2 0 321.465 0.847 20 30 DCEDRP C#CC[NH2+]C1CCN(CCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001717015738 1182623851 /nfs/dbraw/zinc/62/38/51/1182623851.db2.gz QOZITDQZGTVOTK-QGZVFWFLSA-N 2 0 320.481 0.664 20 30 DCEDRP C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001717200013 1182726737 /nfs/dbraw/zinc/72/67/37/1182726737.db2.gz XYKHGPJUUDMOMY-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001717286408 1182767548 /nfs/dbraw/zinc/76/75/48/1182767548.db2.gz UGCRUGQVGGPMJR-UONOGXRCSA-N 2 0 310.442 0.067 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CC1CC(NC(=O)Cn2ccnc2)C1 ZINC001717394658 1182818517 /nfs/dbraw/zinc/81/85/17/1182818517.db2.gz AAOZFHQAEAMVSB-HSBZDZAISA-N 2 0 319.409 0.058 20 30 DCEDRP C#CC[NH+](C)CCOCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001717714591 1182967835 /nfs/dbraw/zinc/96/78/35/1182967835.db2.gz QBVJXUUFKZXVAF-INIZCTEOSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+][C@@H](CC)C(N)=O)CC1 ZINC001717758652 1182980965 /nfs/dbraw/zinc/98/09/65/1182980965.db2.gz ZEUSLGRLOTULLZ-HIFRSBDPSA-N 2 0 322.453 0.032 20 30 DCEDRP CC#CC[NH2+][C@H](CO)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001717784385 1183000766 /nfs/dbraw/zinc/00/07/66/1183000766.db2.gz KGIFIJQNRRCGOF-HOTGVXAUSA-N 2 0 309.454 0.587 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC#CCOC)C1 ZINC001724602205 1184470249 /nfs/dbraw/zinc/47/02/49/1184470249.db2.gz JZYGZGFWYTYMEN-HOTGVXAUSA-N 2 0 309.454 0.662 20 30 DCEDRP C=CCOCC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001724629647 1184481015 /nfs/dbraw/zinc/48/10/15/1184481015.db2.gz VMLHPEZDYYDQQP-ZACQAIPSSA-N 2 0 321.465 0.921 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)CCO1 ZINC001724816380 1184571710 /nfs/dbraw/zinc/57/17/10/1184571710.db2.gz JROCATMGEZTHTJ-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCOCC1 ZINC001724918262 1184620785 /nfs/dbraw/zinc/62/07/85/1184620785.db2.gz FOLXANRANNEUNO-HZPDHXFCSA-N 2 0 319.449 0.892 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001724942700 1184631665 /nfs/dbraw/zinc/63/16/65/1184631665.db2.gz XKXTYCHARVBIRG-LSDHHAIUSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001724962825 1184635857 /nfs/dbraw/zinc/63/58/57/1184635857.db2.gz ZKYWAMOAGKIRMA-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[N@@H+](C)[C@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001725188456 1184712699 /nfs/dbraw/zinc/71/26/99/1184712699.db2.gz GYVYBUQHOGRNTQ-CQSZACIVSA-N 2 0 305.426 0.518 20 30 DCEDRP COCC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001725593054 1184902859 /nfs/dbraw/zinc/90/28/59/1184902859.db2.gz WCPJYNLNGSKFFN-IAGOWNOFSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001725696161 1184948392 /nfs/dbraw/zinc/94/83/92/1184948392.db2.gz SAUPHDWKNYKEHQ-NVXWUHKLSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001725696163 1184949210 /nfs/dbraw/zinc/94/92/10/1184949210.db2.gz SAUPHDWKNYKEHQ-WBVHZDCISA-N 2 0 321.465 0.683 20 30 DCEDRP C#CCC[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCOC ZINC001725758459 1184984267 /nfs/dbraw/zinc/98/42/67/1184984267.db2.gz VZPCWLZGWGCQSW-MRXNPFEDSA-N 2 0 307.438 0.416 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001731433331 1185330500 /nfs/dbraw/zinc/33/05/00/1185330500.db2.gz KUTCZGDXUNUMEA-MELADBBJSA-N 2 0 310.442 0.208 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]C[C@H](C)O)CC1 ZINC001731550387 1185385413 /nfs/dbraw/zinc/38/54/13/1185385413.db2.gz POPUXQPFFFIBTC-RDJZCZTQSA-N 2 0 321.465 0.683 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001731601836 1185407475 /nfs/dbraw/zinc/40/74/75/1185407475.db2.gz QJSWPKKGNONDIX-CQSZACIVSA-N 2 0 322.453 0.259 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001731694137 1185447451 /nfs/dbraw/zinc/44/74/51/1185447451.db2.gz IBJBEHUOTYQSCZ-HUUCEWRRSA-N 2 0 322.453 0.095 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001731717022 1185455414 /nfs/dbraw/zinc/45/54/14/1185455414.db2.gz SBTFMHNFKUYVMY-BRWVUGGUSA-N 2 0 321.465 0.899 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001731729631 1185461852 /nfs/dbraw/zinc/46/18/52/1185461852.db2.gz MPAFOWZWYYDDON-MRXNPFEDSA-N 2 0 321.465 0.997 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001732164032 1185714909 /nfs/dbraw/zinc/71/49/09/1185714909.db2.gz XPAZRXAFVVQPEK-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001732291971 1185759475 /nfs/dbraw/zinc/75/94/75/1185759475.db2.gz QJNPJRMLRAWBOQ-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC(CC[NH2+]CCO)CC2)CC1 ZINC001732303084 1185760823 /nfs/dbraw/zinc/76/08/23/1185760823.db2.gz IXYCMUXUJSGAEM-UHFFFAOYSA-N 2 0 321.465 0.542 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001732493614 1185834542 /nfs/dbraw/zinc/83/45/42/1185834542.db2.gz DPWPHXGXLJOTPL-GJZGRUSLSA-N 2 0 324.469 0.457 20 30 DCEDRP CC#CC[NH2+]C/C=C\CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001732846630 1186008217 /nfs/dbraw/zinc/00/82/17/1186008217.db2.gz BZGCRHNGSACQMX-SREVYHEPSA-N 2 0 303.410 0.344 20 30 DCEDRP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+]([C@H](C)COC)CC1 ZINC001733376077 1186246366 /nfs/dbraw/zinc/24/63/66/1186246366.db2.gz XXQCIJCNIWFDLW-CVEARBPZSA-N 2 0 321.465 0.899 20 30 DCEDRP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001733399601 1186256282 /nfs/dbraw/zinc/25/62/82/1186256282.db2.gz PTLGCANUKMEAQI-QGZVFWFLSA-N 2 0 320.481 0.570 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCOCC1 ZINC001733466432 1186278435 /nfs/dbraw/zinc/27/84/35/1186278435.db2.gz CGIXXSJRNKQKLO-INIZCTEOSA-N 2 0 319.449 0.607 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCOCC1 ZINC001733466433 1186278864 /nfs/dbraw/zinc/27/88/64/1186278864.db2.gz CGIXXSJRNKQKLO-MRXNPFEDSA-N 2 0 319.449 0.607 20 30 DCEDRP N#CCNC1CC[NH+](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001733578532 1186340186 /nfs/dbraw/zinc/34/01/86/1186340186.db2.gz GJDVPAQETVRUAX-MRXNPFEDSA-N 2 0 319.453 0.022 20 30 DCEDRP C=CCC[NH+]1CCC[C@](CO)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001733587251 1186346315 /nfs/dbraw/zinc/34/63/15/1186346315.db2.gz DLFURKUOMYXTFS-KRWDZBQOSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001733860367 1186478760 /nfs/dbraw/zinc/47/87/60/1186478760.db2.gz VTJOLKJZTCSOGH-KGLIPLIRSA-N 2 0 310.442 0.067 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001734210213 1186580910 /nfs/dbraw/zinc/58/09/10/1186580910.db2.gz ACTBJFBKMMSUNE-RBSFLKMASA-N 2 0 322.453 0.257 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H](C)CN(C)C(=O)C[NH+]2CCCC2)C1=O ZINC001734354632 1186620811 /nfs/dbraw/zinc/62/08/11/1186620811.db2.gz LTIYGFYHMBZPGD-CABCVRRESA-N 2 0 322.453 0.306 20 30 DCEDRP CC#CC[NH2+]CCOCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001734612593 1186703687 /nfs/dbraw/zinc/70/36/87/1186703687.db2.gz BONWPZNEWTVIBY-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001753358797 1188573016 /nfs/dbraw/zinc/57/30/16/1188573016.db2.gz BKAHPTJBROIXQP-SJORKVTESA-N 2 0 321.465 0.758 20 30 DCEDRP CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC#CCOC ZINC001753476729 1188606443 /nfs/dbraw/zinc/60/64/43/1188606443.db2.gz GXGNNFMTYDXSMW-OAHLLOKOSA-N 2 0 307.438 0.749 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001753501581 1188611159 /nfs/dbraw/zinc/61/11/59/1188611159.db2.gz QRDHWRMFAIOLHS-AWEZNQCLSA-N 2 0 322.453 0.401 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001754243321 1188797595 /nfs/dbraw/zinc/79/75/95/1188797595.db2.gz IHWUONBNYZJTQI-HZPDHXFCSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001755087731 1189017590 /nfs/dbraw/zinc/01/75/90/1189017590.db2.gz HBPZBIHTXUUUFX-YQQAZPJKSA-N 2 0 309.454 0.846 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001755155700 1189039528 /nfs/dbraw/zinc/03/95/28/1189039528.db2.gz FFLALYUQUWAWCV-HZPDHXFCSA-N 2 0 321.465 0.826 20 30 DCEDRP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001755368537 1189092963 /nfs/dbraw/zinc/09/29/63/1189092963.db2.gz SLWDEFZMOIELBF-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N(CC[NH3+])CC(F)(F)F)C2 ZINC001771874349 1190538740 /nfs/dbraw/zinc/53/87/40/1190538740.db2.gz HKIZQASOWZTMQG-YZRBJQDESA-N 2 0 304.316 0.475 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341344 751409383 /nfs/dbraw/zinc/40/93/83/751409383.db2.gz AJYZMHOVIFWFIC-QJPTWQEYSA-N 2 0 303.328 0.550 20 30 DCEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981034 751706730 /nfs/dbraw/zinc/70/67/30/751706730.db2.gz FFSHGZOZIXCDCS-OWCLPIDISA-N 2 0 309.454 0.825 20 30 DCEDRP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249630 747424714 /nfs/dbraw/zinc/42/47/14/747424714.db2.gz OFHCQTPTJMTQFZ-LSDHHAIUSA-N 2 0 305.422 0.570 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C2CC(CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001100637137 747505960 /nfs/dbraw/zinc/50/59/60/747505960.db2.gz DHKBYTLPZBELLC-NRXISQOPSA-N 2 0 322.453 0.209 20 30 DCEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(CC)CCO3)C[C@@H]2C1 ZINC001088208231 749290029 /nfs/dbraw/zinc/29/00/29/749290029.db2.gz RFLVCNVHKAXOJL-OWCLPIDISA-N 2 0 307.438 0.673 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+][C@H](C)COC)C2)CC1 ZINC001101024610 749954853 /nfs/dbraw/zinc/95/48/53/749954853.db2.gz AGBCHPGTZKTQDG-HPUBIQBYSA-N 2 0 321.465 0.851 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757094 749978153 /nfs/dbraw/zinc/97/81/53/749978153.db2.gz ICBRBDGXAFSVCL-XTCFQUFBSA-N 2 0 317.433 0.452 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001122536229 751089456 /nfs/dbraw/zinc/08/94/56/751089456.db2.gz VTCKULMTHRIHFD-HOTGVXAUSA-N 2 0 305.422 0.047 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106597800 751198667 /nfs/dbraw/zinc/19/86/67/751198667.db2.gz OKKLFIJEMRGVCH-HUUCEWRRSA-N 2 0 324.469 0.315 20 30 DCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001044772572 752864930 /nfs/dbraw/zinc/86/49/30/752864930.db2.gz WKNYNFGVSGHMOH-GDBMZVCRSA-N 2 0 317.437 0.661 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC2CC2)C1 ZINC001078413435 753231475 /nfs/dbraw/zinc/23/14/75/753231475.db2.gz SXNYAQYWBQJZEJ-SJORKVTESA-N 2 0 319.449 0.701 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001128551659 754086419 /nfs/dbraw/zinc/08/64/19/754086419.db2.gz DMAOXBWXTRZISO-QWHCGFSZSA-N 2 0 316.421 0.063 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2CCC)C1=O ZINC001128782637 754278809 /nfs/dbraw/zinc/27/88/09/754278809.db2.gz ADIWEILVURAKNJ-GJZGRUSLSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@H]2C1 ZINC001048860442 754984093 /nfs/dbraw/zinc/98/40/93/754984093.db2.gz USCDWPFYABNLHW-YESZJQIVSA-N 2 0 303.450 0.988 20 30 DCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001083908592 755449560 /nfs/dbraw/zinc/44/95/60/755449560.db2.gz LUKOLLUDHKPNDU-CVEARBPZSA-N 2 0 309.454 0.844 20 30 DCEDRP C#CCC[NH2+]C1CC(CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001100341113 755539604 /nfs/dbraw/zinc/53/96/04/755539604.db2.gz FWZMCQGWNNKNBD-UHFFFAOYSA-N 2 0 317.437 0.566 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081659370 756743428 /nfs/dbraw/zinc/74/34/28/756743428.db2.gz YIQULPCVQBBLTQ-BZUAXINKSA-N 2 0 307.438 0.698 20 30 DCEDRP CC#CCN1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082201165 756953907 /nfs/dbraw/zinc/95/39/07/756953907.db2.gz MVUFPRDRPGEDND-HZPDHXFCSA-N 2 0 307.438 0.557 20 30 DCEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001082923726 757331358 /nfs/dbraw/zinc/33/13/58/757331358.db2.gz ZCWFKVCTAJWRIS-OWCLPIDISA-N 2 0 309.454 0.967 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)CC[N@@H+](C)CC)C1=O ZINC001170223847 762578993 /nfs/dbraw/zinc/57/89/93/762578993.db2.gz WLXVJXUNUPGZHF-AWEZNQCLSA-N 2 0 310.442 0.211 20 30 DCEDRP C=C(C)C[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001051996479 759099312 /nfs/dbraw/zinc/09/93/12/759099312.db2.gz NGRLGBXNBYEISN-IRXDYDNUSA-N 2 0 320.481 0.875 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001098392248 759232253 /nfs/dbraw/zinc/23/22/53/759232253.db2.gz ODGZOAJMXUWVHJ-KRWDZBQOSA-N 2 0 321.465 0.635 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](CC#C)CC1 ZINC001085986602 759547071 /nfs/dbraw/zinc/54/70/71/759547071.db2.gz IMYRMQJOFKNGSZ-QGZVFWFLSA-N 2 0 301.434 0.888 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H](C)O)C2)CC1 ZINC001086277968 759944586 /nfs/dbraw/zinc/94/45/86/759944586.db2.gz BTIGVMSVTOQYQP-FMKPAKJESA-N 2 0 307.438 0.197 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001070267866 761157765 /nfs/dbraw/zinc/15/77/65/761157765.db2.gz URGUTDWYEPUJCU-CABCVRRESA-N 2 0 318.425 0.147 20 30 DCEDRP C#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001070435881 761236721 /nfs/dbraw/zinc/23/67/21/761236721.db2.gz UWMUFUAXIQJTRO-KBPBESRZSA-N 2 0 315.421 0.400 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CCOC)CC1 ZINC001157092105 761696373 /nfs/dbraw/zinc/69/63/73/761696373.db2.gz KYHKJVKDRXSMBT-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@H](C)O2 ZINC001071241563 761733007 /nfs/dbraw/zinc/73/30/07/761733007.db2.gz WTSNZTNMXWBJEX-RDJZCZTQSA-N 2 0 305.422 0.407 20 30 DCEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460844 762948536 /nfs/dbraw/zinc/94/85/36/762948536.db2.gz PKGYQAHPKCTFEF-CABCVRRESA-N 2 0 320.441 0.536 20 30 DCEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129910247 763040171 /nfs/dbraw/zinc/04/01/71/763040171.db2.gz KOZFAUNCIWWLHN-KFWWJZLASA-N 2 0 320.441 0.536 20 30 DCEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879089 763094781 /nfs/dbraw/zinc/09/47/81/763094781.db2.gz FGVCYCWINSDLIP-HOTGVXAUSA-N 2 0 309.454 0.988 20 30 DCEDRP C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[NH+](C)C)C1 ZINC001130415797 763293212 /nfs/dbraw/zinc/29/32/12/763293212.db2.gz PNQHPLVQZUFMSV-ZDUSSCGKSA-N 2 0 303.410 0.400 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100140708 763345764 /nfs/dbraw/zinc/34/57/64/763345764.db2.gz AJBUQNTUGHRQSB-DLBZAZTESA-N 2 0 321.465 0.827 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001100334927 763501877 /nfs/dbraw/zinc/50/18/77/763501877.db2.gz AUDSTXHJKLIYOX-BDVYOWHSSA-N 2 0 319.449 0.462 20 30 DCEDRP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C1(C[NH+](C)C)CC1)C[C@H](C)O2 ZINC001131677843 763945542 /nfs/dbraw/zinc/94/55/42/763945542.db2.gz PTELQDDYHHQION-MAUKXSAKSA-N 2 0 319.449 0.653 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345034 764064319 /nfs/dbraw/zinc/06/43/19/764064319.db2.gz QJKINLIIPXTLGZ-AEFFLSMTSA-N 2 0 321.465 0.758 20 30 DCEDRP COc1ccc(C#N)cc1C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294367 764911046 /nfs/dbraw/zinc/91/10/46/764911046.db2.gz FUBQYONOIFURFP-UHFFFAOYSA-N 2 0 304.394 0.724 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133819897 765150940 /nfs/dbraw/zinc/15/09/40/765150940.db2.gz QSCPNITYLONDMV-HNNXBMFYSA-N 2 0 324.469 0.601 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584761 765580483 /nfs/dbraw/zinc/58/04/83/765580483.db2.gz WTTKWPLHQVAPIJ-KGLIPLIRSA-N 2 0 322.453 0.093 20 30 DCEDRP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126256 765600075 /nfs/dbraw/zinc/60/00/75/765600075.db2.gz LCNHHVQPVDXVFS-LJIGWXMPSA-N 2 0 309.454 0.966 20 30 DCEDRP COCC#CC[NH2+]C1CC2(CC(NC(=O)Cc3ncc[nH]3)C2)C1 ZINC001121953688 767680077 /nfs/dbraw/zinc/68/00/77/767680077.db2.gz JCNKGXBGIANCFH-UHFFFAOYSA-N 2 0 316.405 0.619 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149841868 768878304 /nfs/dbraw/zinc/87/83/04/768878304.db2.gz LNUFIYDJKCHGLH-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001150497593 769111337 /nfs/dbraw/zinc/11/13/37/769111337.db2.gz KDBOLBGUAILBDA-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001151049333 769245443 /nfs/dbraw/zinc/24/54/43/769245443.db2.gz MGMBIUWWBSLDHC-CQSZACIVSA-N 2 0 304.369 0.855 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203337751 769407272 /nfs/dbraw/zinc/40/72/72/769407272.db2.gz SHTDSKRBWDFVLA-CQSZACIVSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC001152330731 769529006 /nfs/dbraw/zinc/52/90/06/769529006.db2.gz UGXGJGOSTHTUQT-SJLPKXTDSA-N 2 0 319.449 0.464 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCOCC2CC2)CC1 ZINC001152329780 769529483 /nfs/dbraw/zinc/52/94/83/769529483.db2.gz BAVFCPYXBBIBOE-UHFFFAOYSA-N 2 0 307.438 0.464 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC001152330281 769529530 /nfs/dbraw/zinc/52/95/30/769529530.db2.gz LAOPAFYGTGBGSP-INIZCTEOSA-N 2 0 321.465 0.853 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152440080 769555618 /nfs/dbraw/zinc/55/56/18/769555618.db2.gz XPEVJJPTJDTOTP-UHFFFAOYSA-N 2 0 312.458 0.457 20 30 DCEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001153424407 769813707 /nfs/dbraw/zinc/81/37/07/769813707.db2.gz JSLBIAGCHNYDBW-OAHLLOKOSA-N 2 0 319.453 0.908 20 30 DCEDRP N#Cc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(F)c1 ZINC001236311544 769994721 /nfs/dbraw/zinc/99/47/21/769994721.db2.gz SYIAVHXGDKGWPY-UHFFFAOYSA-N 2 0 321.400 0.313 20 30 DCEDRP N#Cc1ccc(S(=O)(=O)NCCC[NH2+]CCCC[NH3+])cc1 ZINC001238879066 770139810 /nfs/dbraw/zinc/13/98/10/770139810.db2.gz GZDSACZHOZYCLM-UHFFFAOYSA-N 2 0 310.423 0.555 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2nccn2C)CC1 ZINC001176926187 770225705 /nfs/dbraw/zinc/22/57/05/770225705.db2.gz IKAPDLBBGMHWRA-UHFFFAOYSA-N 2 0 317.437 0.361 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2ocnc2C)CC1 ZINC001176926411 770225860 /nfs/dbraw/zinc/22/58/60/770225860.db2.gz LESKWGUCZLDIJR-UHFFFAOYSA-N 2 0 318.421 0.924 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001178902475 770898893 /nfs/dbraw/zinc/89/88/93/770898893.db2.gz SHUVLDYPQZZFIF-HOCLYGCPSA-N 2 0 307.438 0.700 20 30 DCEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001184425854 771787102 /nfs/dbraw/zinc/78/71/02/771787102.db2.gz ZONUEXRUHZPKQM-DGNOSDGRSA-N 2 0 305.422 0.616 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)CCO)CC1 ZINC001158914896 771833861 /nfs/dbraw/zinc/83/38/61/771833861.db2.gz VIRXJMBKCLKIAS-QGZVFWFLSA-N 2 0 321.465 0.637 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001159155326 771867370 /nfs/dbraw/zinc/86/73/70/771867370.db2.gz MRJALWBYCQJWHF-ZDUSSCGKSA-N 2 0 316.421 0.064 20 30 DCEDRP CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159788087 771958033 /nfs/dbraw/zinc/95/80/33/771958033.db2.gz GTHDGSSLCLHXGS-WDEREUQCSA-N 2 0 320.397 0.861 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001160274947 772017933 /nfs/dbraw/zinc/01/79/33/772017933.db2.gz XTDQADWHTYGOPB-HUUCEWRRSA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001186554780 772054586 /nfs/dbraw/zinc/05/45/86/772054586.db2.gz GPVIXSDDDMWNTB-OAHLLOKOSA-N 2 0 322.453 0.211 20 30 DCEDRP N#Cc1ccc(N2CCCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2)nc1 ZINC001160602665 772076845 /nfs/dbraw/zinc/07/68/45/772076845.db2.gz IYOFQSLFUJSUPP-CQSZACIVSA-N 2 0 316.409 0.058 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2CCCC[N@H+]2C)C1=O ZINC001161042078 772157122 /nfs/dbraw/zinc/15/71/22/772157122.db2.gz NTUPPWLMPRRVCC-GJZGRUSLSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001187305284 772171738 /nfs/dbraw/zinc/17/17/38/772171738.db2.gz ULHJNCDUNJOEHJ-ARFHVFGLSA-N 2 0 307.438 0.816 20 30 DCEDRP COCC#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001161857125 772289794 /nfs/dbraw/zinc/28/97/94/772289794.db2.gz LDARRMHGYZQKJP-QGZVFWFLSA-N 2 0 319.449 0.726 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)C[N@H+](C)C2CCC2)(COC)CC1 ZINC001162300576 772355560 /nfs/dbraw/zinc/35/55/60/772355560.db2.gz JYXTZAXEXWUUQX-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802397 772544301 /nfs/dbraw/zinc/54/43/01/772544301.db2.gz YEOLJZVNAPQVFB-JKSUJKDBSA-N 2 0 319.449 0.818 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001164449311 772660408 /nfs/dbraw/zinc/66/04/08/772660408.db2.gz HKPADVIUODLLAC-OAHLLOKOSA-N 2 0 324.469 0.507 20 30 DCEDRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC#CCOC)C12CCC2 ZINC001203649999 772918044 /nfs/dbraw/zinc/91/80/44/772918044.db2.gz DZZRJVJHYXGNAM-HZPDHXFCSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203791726 772924595 /nfs/dbraw/zinc/92/45/95/772924595.db2.gz KIESFRJZRKPNIP-JKSUJKDBSA-N 2 0 321.465 0.993 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001205515980 772997496 /nfs/dbraw/zinc/99/74/96/772997496.db2.gz IGXDNAUNBJVXAZ-OAHLLOKOSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001193456231 773071840 /nfs/dbraw/zinc/07/18/40/773071840.db2.gz OMZSDYCRMLOWLA-BFHYXJOUSA-N 2 0 301.406 0.404 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)[C@H](C)COC)C2)CC1 ZINC001194245561 773167673 /nfs/dbraw/zinc/16/76/73/773167673.db2.gz CMYWTUNCYAWUAF-NVXWUHKLSA-N 2 0 321.465 0.899 20 30 DCEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195828119 773489662 /nfs/dbraw/zinc/48/96/62/773489662.db2.gz FLYLLBIHKSEDHR-NUEKZKHPSA-N 2 0 309.454 0.844 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001208738600 773523940 /nfs/dbraw/zinc/52/39/40/773523940.db2.gz GWJKKSWWCZOMAB-IXDOHACOSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210750933 773734140 /nfs/dbraw/zinc/73/41/40/773734140.db2.gz OVRGTGAPGIUGDL-OAHLLOKOSA-N 2 0 324.469 0.601 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210811465 773741787 /nfs/dbraw/zinc/74/17/87/773741787.db2.gz OJUJAHZLEZRSAL-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458932 774074882 /nfs/dbraw/zinc/07/48/82/774074882.db2.gz QOHVXYJCVFOKRF-MGPQQGTHSA-N 2 0 310.442 0.065 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216384056 774114732 /nfs/dbraw/zinc/11/47/32/774114732.db2.gz WANMOAUFOCUXKZ-OWCLPIDISA-N 2 0 307.438 0.415 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001216853584 774143530 /nfs/dbraw/zinc/14/35/30/774143530.db2.gz IMIFRAAPOJYQLO-QLFBSQMISA-N 2 0 324.469 0.454 20 30 DCEDRP N#Cc1c(NC(=O)[C@H]2C[NH2+]C[C@H](O)C2)sc2c1CC[NH2+]C2 ZINC001218553278 774245635 /nfs/dbraw/zinc/24/56/35/774245635.db2.gz OQMMCYHNGHVWGU-RKDXNWHRSA-N 2 0 306.391 0.174 20 30 DCEDRP CC(=O)Nc1ccc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])cc1C#N ZINC001218915639 774326207 /nfs/dbraw/zinc/32/62/07/774326207.db2.gz RFVAIRGJRDIQMV-ZDUSSCGKSA-N 2 0 303.366 0.911 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200528485 774362531 /nfs/dbraw/zinc/36/25/31/774362531.db2.gz LPWXTKHZDWOIPZ-HZPDHXFCSA-N 2 0 305.422 0.169 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCCO1 ZINC001200687483 774390299 /nfs/dbraw/zinc/39/02/99/774390299.db2.gz CIYGLSHHWYJIRQ-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CCCO1 ZINC001200851655 774417319 /nfs/dbraw/zinc/41/73/19/774417319.db2.gz QWPXSFCGUFUOES-OAHLLOKOSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1 ZINC001201260920 774478800 /nfs/dbraw/zinc/47/88/00/774478800.db2.gz MHRZOCJDKHOIDT-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CCCO1 ZINC001201420777 774507358 /nfs/dbraw/zinc/50/73/58/774507358.db2.gz OXIMSUCBHLEWSW-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001202239051 774625414 /nfs/dbraw/zinc/62/54/14/774625414.db2.gz PTVJFOGQAOYMST-AWEZNQCLSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001202531685 774886067 /nfs/dbraw/zinc/88/60/67/774886067.db2.gz KNVWMVUMDZOZCW-HIFRSBDPSA-N 2 0 322.453 0.045 20 30 DCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001114496498 775871857 /nfs/dbraw/zinc/87/18/57/775871857.db2.gz NVXSKEAGQRUNML-VQFNDLOPSA-N 2 0 312.417 0.978 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001228030575 776038832 /nfs/dbraw/zinc/03/88/32/776038832.db2.gz AQIMOAYOLCUXPF-MRXNPFEDSA-N 2 0 322.453 0.494 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001114769052 776110935 /nfs/dbraw/zinc/11/09/35/776110935.db2.gz BOHCQOSIPRDRPO-ZSHCYNCHSA-N 2 0 305.422 0.024 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001041366736 777232273 /nfs/dbraw/zinc/23/22/73/777232273.db2.gz AKIXOHPNOWCLSF-RDJZCZTQSA-N 2 0 305.422 0.001 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001266882247 939265420 /nfs/dbraw/zinc/26/54/20/939265420.db2.gz FTLAXWYPICWTBR-GJZGRUSLSA-N 2 0 322.453 0.354 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)CCCn2ccnc2)C1 ZINC001267310330 939421925 /nfs/dbraw/zinc/42/19/25/939421925.db2.gz VUCNXPXWCCAFLD-MRXNPFEDSA-N 2 0 318.421 0.751 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001267569268 939504540 /nfs/dbraw/zinc/50/45/40/939504540.db2.gz RVBLNTGASSZXBQ-IRXDYDNUSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267685018 939624798 /nfs/dbraw/zinc/62/47/98/939624798.db2.gz WWOLQZOOCKPIRD-IAGOWNOFSA-N 2 0 321.465 0.758 20 30 DCEDRP C#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC001267921811 939705451 /nfs/dbraw/zinc/70/54/51/939705451.db2.gz RXCGCPSMNYDKLQ-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001267932964 939707751 /nfs/dbraw/zinc/70/77/51/939707751.db2.gz XQMHNWJRYLNRKY-ULQDDVLXSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001278397717 945276286 /nfs/dbraw/zinc/27/62/86/945276286.db2.gz VSOXZPJGGGLVGA-BFYDXBDKSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001481461594 939875339 /nfs/dbraw/zinc/87/53/39/939875339.db2.gz FKWPEVGKWTUTFG-OAHLLOKOSA-N 2 0 307.438 0.152 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]C[C@@H]2CCOC2)CC1 ZINC001268427446 940118727 /nfs/dbraw/zinc/11/87/27/940118727.db2.gz XKERKRNKRVTHIS-HOTGVXAUSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CCO)CC1 ZINC001268769789 940354807 /nfs/dbraw/zinc/35/48/07/940354807.db2.gz GRGYZOASMFEFLX-DLBZAZTESA-N 2 0 321.465 0.589 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cnns1 ZINC001268798990 940365991 /nfs/dbraw/zinc/36/59/91/940365991.db2.gz SIZQRYJQXCNTDK-AWEZNQCLSA-N 2 0 321.450 0.574 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CCOC)CC1 ZINC001270308205 940877372 /nfs/dbraw/zinc/87/73/72/940877372.db2.gz CQJQVDAOJFQYJB-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001482438128 941221294 /nfs/dbraw/zinc/22/12/94/941221294.db2.gz BQHUGIKLWOEEEM-GJZGRUSLSA-N 2 0 324.469 0.455 20 30 DCEDRP C#CC[NH2+]CC[C@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001484551479 943450514 /nfs/dbraw/zinc/45/05/14/943450514.db2.gz JSJJLMFAFNPRJX-INIZCTEOSA-N 2 0 301.434 0.793 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001484856108 943602197 /nfs/dbraw/zinc/60/21/97/943602197.db2.gz NYPQSYOFOUGSIQ-FUHWJXTLSA-N 2 0 321.465 0.827 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001484983309 943644096 /nfs/dbraw/zinc/64/40/96/943644096.db2.gz VRXGRWQUFVZOOR-JKSUJKDBSA-N 2 0 319.449 0.701 20 30 DCEDRP CC#CCN1CCO[C@@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001485559224 943993410 /nfs/dbraw/zinc/99/34/10/943993410.db2.gz WICSINZSXOIYHS-KRWDZBQOSA-N 2 0 307.438 0.653 20 30 DCEDRP Cn1cc(C[N@@H+]2C[C@@H]3C[C@H]2CN(CC[NH+](C)C)C3)cc1C#N ZINC001276607896 944230938 /nfs/dbraw/zinc/23/09/38/944230938.db2.gz FUVYWMBSASJCDS-WBVHZDCISA-N 2 0 301.438 0.964 20 30 DCEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001485833582 944261585 /nfs/dbraw/zinc/26/15/85/944261585.db2.gz JPKXVZASUISYFP-HOCLYGCPSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CCC[NH2+][C@H](C)[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001276780598 944299058 /nfs/dbraw/zinc/29/90/58/944299058.db2.gz ZFGCVLKRQLPJCS-HZPDHXFCSA-N 2 0 319.449 0.844 20 30 DCEDRP C=CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001485998389 944473871 /nfs/dbraw/zinc/47/38/71/944473871.db2.gz WNIAVZNWTTVNFF-LSDHHAIUSA-N 2 0 309.454 0.894 20 30 DCEDRP C#CC[NH2+][C@@H](CO)CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001486050067 944533126 /nfs/dbraw/zinc/53/31/26/944533126.db2.gz KPMQHFDERRRKMK-CVEARBPZSA-N 2 0 303.406 0.379 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001486133476 944587965 /nfs/dbraw/zinc/58/79/65/944587965.db2.gz COCKVOPZNQHBRL-UONOGXRCSA-N 2 0 310.442 0.208 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001486240217 944664317 /nfs/dbraw/zinc/66/43/17/944664317.db2.gz JYOATOXIEVAZOJ-ZDUSSCGKSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001316958050 944683510 /nfs/dbraw/zinc/68/35/10/944683510.db2.gz LJKZPPZLZPFAJN-QGZVFWFLSA-N 2 0 318.465 0.085 20 30 DCEDRP COCC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001317005085 944733907 /nfs/dbraw/zinc/73/39/07/944733907.db2.gz DWYBNIUYGUBVLF-HZPDHXFCSA-N 2 0 319.449 0.559 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@H]1CC12CC[NH+](CC#CCOC)CC2 ZINC001317004762 944734282 /nfs/dbraw/zinc/73/42/82/944734282.db2.gz DALXYCYXEXDLER-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001317079961 944782875 /nfs/dbraw/zinc/78/28/75/944782875.db2.gz ALEVTXNCLHIXCT-TUVASFSCSA-N 2 0 322.453 0.398 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCC[NH2+]C[C@@H](C)O)CC1 ZINC001277364035 944786599 /nfs/dbraw/zinc/78/65/99/944786599.db2.gz YJWCTHCAHRWVRN-LSDHHAIUSA-N 2 0 309.454 0.587 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001317110318 944800677 /nfs/dbraw/zinc/80/06/77/944800677.db2.gz VRFSNUQSSUYFHG-LJISPDSOSA-N 2 0 322.453 0.256 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001317302276 944909704 /nfs/dbraw/zinc/90/97/04/944909704.db2.gz PSTRFNVUFQOLMO-HNNXBMFYSA-N 2 0 305.422 0.455 20 30 DCEDRP N#CCC1CN(C(=O)[C@@]23C[C@@H]2CC[N@@H+]3CC2CC[NH2+]CC2)C1 ZINC001277821470 944993774 /nfs/dbraw/zinc/99/37/74/944993774.db2.gz JAFXEUUOYROTKU-DOTOQJQBSA-N 2 0 302.422 0.822 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001317535571 945031532 /nfs/dbraw/zinc/03/15/32/945031532.db2.gz JJSPUWHMTABQBB-KRWDZBQOSA-N 2 0 321.465 0.950 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001318969763 945473587 /nfs/dbraw/zinc/47/35/87/945473587.db2.gz SVRJTDKWEOKYDB-HDJSIYSDSA-N 2 0 310.442 0.257 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CC#CCOC)CC1 ZINC001318977058 945475431 /nfs/dbraw/zinc/47/54/31/945475431.db2.gz XVQXJDFRHPPBAM-WKILWMFISA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001319084697 945494198 /nfs/dbraw/zinc/49/41/98/945494198.db2.gz GQESAORLJQSCPQ-HUUCEWRRSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001247003091 945540633 /nfs/dbraw/zinc/54/06/33/945540633.db2.gz NGPGMIMLRNYPRT-UONOGXRCSA-N 2 0 308.426 0.457 20 30 DCEDRP CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CC#CCOC)C1)[NH+](C)C ZINC001278511254 945613923 /nfs/dbraw/zinc/61/39/23/945613923.db2.gz HRIKZUANQYRJMA-WBVHZDCISA-N 2 0 309.454 0.805 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC001251707680 945774166 /nfs/dbraw/zinc/77/41/66/945774166.db2.gz COMOJRXEESNMIJ-UHFFFAOYSA-N 2 0 322.453 0.305 20 30 DCEDRP C#CCOC[C@@H](O)C[NH+]1CCN(CCC[NH+](CC)CC)CC1 ZINC001251851838 945798508 /nfs/dbraw/zinc/79/85/08/945798508.db2.gz TWZOQFWCQGDKLI-KRWDZBQOSA-N 2 0 311.470 0.347 20 30 DCEDRP C#CCOC[C@H](O)C[NH2+]CC1CC[NH+](CC2CCOCC2)CC1 ZINC001251893860 945811169 /nfs/dbraw/zinc/81/11/69/945811169.db2.gz LOGOJWFBKMOLHB-GOSISDBHSA-N 2 0 324.465 0.725 20 30 DCEDRP C#CCOC[C@H](O)C[NH2+]CC1CC[NH+](Cc2cccnc2)CC1 ZINC001251897488 945815185 /nfs/dbraw/zinc/81/51/85/945815185.db2.gz YYZTZNMSJHRVTP-GOSISDBHSA-N 2 0 317.433 0.894 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCOCC1 ZINC001278707381 946101893 /nfs/dbraw/zinc/10/18/93/946101893.db2.gz JVBHWYOOJKOKBU-HNNXBMFYSA-N 2 0 307.438 0.747 20 30 DCEDRP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001321400621 946315439 /nfs/dbraw/zinc/31/54/39/946315439.db2.gz CXOKLQHJCBYWQR-DHCBQETCSA-N 2 0 315.845 0.969 20 30 DCEDRP C#CCOCCOCc1cn(CCCC[NH2+]CCC[NH3+])nn1 ZINC001254163890 946326391 /nfs/dbraw/zinc/32/63/91/946326391.db2.gz ABNHOKGWWKYECB-UHFFFAOYSA-N 2 0 309.414 0.163 20 30 DCEDRP CC[C@H](CC#N)[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001255158278 946475471 /nfs/dbraw/zinc/47/54/71/946475471.db2.gz GNYVYWXYNUPZHL-OAHLLOKOSA-N 2 0 317.430 0.293 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001279005298 946723133 /nfs/dbraw/zinc/72/31/33/946723133.db2.gz AIWZIEFBSPWHTB-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001410737210 946865924 /nfs/dbraw/zinc/86/59/24/946865924.db2.gz UXLMWZKIZCOZEQ-CQSZACIVSA-N 2 0 322.384 0.216 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCOC)C2CC2)CC1 ZINC001323116053 946939726 /nfs/dbraw/zinc/93/97/26/946939726.db2.gz ZYWMCUXZXVCYAC-MRXNPFEDSA-N 2 0 307.438 0.462 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001323541560 947120730 /nfs/dbraw/zinc/12/07/30/947120730.db2.gz JNBXDJUSKRVDLR-KBPBESRZSA-N 2 0 322.453 0.257 20 30 DCEDRP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C2)CC1 ZINC001261457241 947300050 /nfs/dbraw/zinc/30/00/50/947300050.db2.gz BWDJYSFAEBLQRB-HIFRSBDPSA-N 2 0 307.442 0.292 20 30 DCEDRP C=C(Br)C[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001411093843 947320959 /nfs/dbraw/zinc/32/09/59/947320959.db2.gz VYIURNNXAFHGQJ-LLVKDONJSA-N 2 0 322.247 0.256 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001324261010 947370400 /nfs/dbraw/zinc/37/04/00/947370400.db2.gz NFWMYDHGCBCLEH-OAHLLOKOSA-N 2 0 305.422 0.313 20 30 DCEDRP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001325099086 947652987 /nfs/dbraw/zinc/65/29/87/947652987.db2.gz VHFTWQSKESDCMF-NVXWUHKLSA-N 2 0 307.438 0.457 20 30 DCEDRP C=CCCC[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001263099670 947807877 /nfs/dbraw/zinc/80/78/77/947807877.db2.gz QUJLMEHDNZHFEK-LSDHHAIUSA-N 2 0 324.469 0.729 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]CC#CCOC)C1 ZINC001326418888 948156304 /nfs/dbraw/zinc/15/63/04/948156304.db2.gz MHSONZKMUHPEAQ-MRXNPFEDSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+]CCC)CCOCC2)CC1 ZINC001327671147 948590000 /nfs/dbraw/zinc/59/00/00/948590000.db2.gz IGOOVUFNQBHAPG-UHFFFAOYSA-N 2 0 321.465 0.997 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001327933815 948668219 /nfs/dbraw/zinc/66/82/19/948668219.db2.gz ZVLQOEKXJBSWSB-MRXNPFEDSA-N 2 0 305.422 0.359 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1OCC ZINC001263966423 948819365 /nfs/dbraw/zinc/81/93/65/948819365.db2.gz IBNAMKYEHIFMBD-IXDOHACOSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001328913636 949190126 /nfs/dbraw/zinc/19/01/26/949190126.db2.gz YKNCSSFLGJQGMZ-UHFFFAOYSA-N 2 0 322.453 0.115 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001266182516 950452280 /nfs/dbraw/zinc/45/22/80/950452280.db2.gz JSKNSLAKVUFQOB-KBPBESRZSA-N 2 0 322.453 0.257 20 30 DCEDRP CC#CC[NH2+]C1CCN(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001279431989 950573286 /nfs/dbraw/zinc/57/32/86/950573286.db2.gz VMTOTRKQUAQTDH-KRWDZBQOSA-N 2 0 320.481 0.664 20 30 DCEDRP C#CCC[NH+]1CCN(CCCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001490474999 950716221 /nfs/dbraw/zinc/71/62/21/950716221.db2.gz KBNZDVVOLQOVII-INIZCTEOSA-N 2 0 308.470 0.474 20 30 DCEDRP C[NH+](C)CC1(O)CC[NH+](C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001365324894 950959060 /nfs/dbraw/zinc/95/90/60/950959060.db2.gz YWAWSNPJGOBNTL-INIZCTEOSA-N 2 0 303.406 0.980 20 30 DCEDRP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCN1CC#C ZINC001331289678 951056656 /nfs/dbraw/zinc/05/66/56/951056656.db2.gz MYOWUOQPHLKOKD-DLBZAZTESA-N 2 0 301.434 0.934 20 30 DCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001281168150 951346407 /nfs/dbraw/zinc/34/64/07/951346407.db2.gz QAHKJIJGMTYXTL-KRWDZBQOSA-N 2 0 309.454 0.847 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001281184850 951357164 /nfs/dbraw/zinc/35/71/64/951357164.db2.gz OPIASTXXGYBEPY-DOTOQJQBSA-N 2 0 307.438 0.295 20 30 DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001281184854 951357616 /nfs/dbraw/zinc/35/76/16/951357616.db2.gz OPIASTXXGYBEPY-RDJZCZTQSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CC2CCC2)CC1 ZINC001331843939 951357554 /nfs/dbraw/zinc/35/75/54/951357554.db2.gz ZACJZJNPFJJIJI-INIZCTEOSA-N 2 0 307.438 0.198 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001281617832 951562613 /nfs/dbraw/zinc/56/26/13/951562613.db2.gz BUFQCCCMZVJJRF-OAHLLOKOSA-N 2 0 307.438 0.437 20 30 DCEDRP C=C[C@](C)(O)C[N@@H+]1CCC[C@@]12CCN(CCn1ccnc1)C2=O ZINC001274617343 951743382 /nfs/dbraw/zinc/74/33/82/951743382.db2.gz XKINGXLYOFBQJR-IRXDYDNUSA-N 2 0 318.421 0.887 20 30 DCEDRP CN1CC[NH+](CCCCNC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC001332928798 951855154 /nfs/dbraw/zinc/85/51/54/951855154.db2.gz MVHFWFRGZNVKPQ-HNNXBMFYSA-N 2 0 309.458 0.541 20 30 DCEDRP CC#CC[NH+]1CCC(CO)(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001274941237 951896164 /nfs/dbraw/zinc/89/61/64/951896164.db2.gz KSCJTQSXXOUXTL-HZPDHXFCSA-N 2 0 321.465 0.826 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CC2CC(NC(=O)CC[NH+](C)C)C2)C1=O ZINC001275285107 952044879 /nfs/dbraw/zinc/04/48/79/952044879.db2.gz YMWXJCDJUGWPJM-NRXISQOPSA-N 2 0 322.453 0.209 20 30 DCEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001340921121 953203244 /nfs/dbraw/zinc/20/32/44/953203244.db2.gz QHELROCNPMKINA-ZWUHOBOKSA-N 2 0 309.410 0.409 20 30 DCEDRP C#CCNC(=O)CN(C)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001282403900 953569377 /nfs/dbraw/zinc/56/93/77/953569377.db2.gz YOJRFJBWDJDEMI-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCNC(=O)C[N@@H+](C)C1CCN(C(=O)Cn2ccnc2)CC1 ZINC001283344429 954273582 /nfs/dbraw/zinc/27/35/82/954273582.db2.gz QVFHXKXDDMBYPW-UHFFFAOYSA-N 2 0 319.409 0.108 20 30 DCEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001283763257 954589930 /nfs/dbraw/zinc/58/99/30/954589930.db2.gz HDRBTUSJUXFWTD-GDBMZVCRSA-N 2 0 307.438 0.483 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC1=CC[N@H+](CCOCC)CC1 ZINC001284928737 955320863 /nfs/dbraw/zinc/32/08/63/955320863.db2.gz QLUQZAGQRHOQSD-KRWDZBQOSA-N 2 0 319.449 0.869 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC#CCOC)C1 ZINC001491855913 959309697 /nfs/dbraw/zinc/30/96/97/959309697.db2.gz LUSAXZLQZZPAMX-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[N@H+](C)CCOCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001316765280 960321322 /nfs/dbraw/zinc/32/13/22/960321322.db2.gz MYKKLJGAKZIDIB-MRXNPFEDSA-N 2 0 309.454 0.758 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001379847580 962133381 /nfs/dbraw/zinc/13/33/81/962133381.db2.gz ZIWQGSZAPZGSEX-AWEZNQCLSA-N 2 0 317.861 0.880 20 30 DCEDRP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC001379526439 963128283 /nfs/dbraw/zinc/12/82/83/963128283.db2.gz QJHGBKZXEIRTFQ-MRXNPFEDSA-N 2 0 318.421 0.465 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001502580464 1015980763 /nfs/dbraw/zinc/98/07/63/1015980763.db2.gz NDGPWJAQYYAUOZ-GOSISDBHSA-N 2 0 321.465 0.827 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001502586818 1015986266 /nfs/dbraw/zinc/98/62/66/1015986266.db2.gz VLKBEXWHTCNXPO-NVXWUHKLSA-N 2 0 309.454 0.539 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001502603092 1015994012 /nfs/dbraw/zinc/99/40/12/1015994012.db2.gz GCXCALOZBBHBMM-RDJZCZTQSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CCC[NH2+][C@H](CO)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001507242447 1016170390 /nfs/dbraw/zinc/17/03/90/1016170390.db2.gz HLJNBQRXGVCIBU-INIZCTEOSA-N 2 0 303.406 0.452 20 30 DCEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1C#N ZINC001401497851 1000454470 /nfs/dbraw/zinc/45/44/70/1000454470.db2.gz MLMRJVHOSVVZAN-HOTGVXAUSA-N 2 0 316.405 0.219 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001401558730 1000495706 /nfs/dbraw/zinc/49/57/06/1000495706.db2.gz QOBSOAPPBPDFFT-CQSZACIVSA-N 2 0 322.384 0.216 20 30 DCEDRP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001507727951 1016558536 /nfs/dbraw/zinc/55/85/36/1016558536.db2.gz LEKBOJLCBYZUDZ-JKSUJKDBSA-N 2 0 309.454 0.635 20 30 DCEDRP C=C(Cl)C[NH2+]C1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001407587461 1004745171 /nfs/dbraw/zinc/74/51/71/1004745171.db2.gz AFVWPLNAYSMASI-UHFFFAOYSA-N 2 0 316.877 0.861 20 30 DCEDRP C[C@H]1CN(C(=O)NCC#CC[NH+](C)C)CC[N@@H+]1CC(C)(C)O ZINC001479619978 1017605522 /nfs/dbraw/zinc/60/55/22/1017605522.db2.gz DLBFEGNLWQRRLJ-AWEZNQCLSA-N 2 0 310.442 0.038 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001479664397 1017643075 /nfs/dbraw/zinc/64/30/75/1017643075.db2.gz ZFQGNZZVPCPCJQ-IKGGRYGDSA-N 2 0 319.449 0.511 20 30 DCEDRP C#CCNC(=O)C[NH+](C)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001506969482 1017715470 /nfs/dbraw/zinc/71/54/70/1017715470.db2.gz BHKAXDJDUMBCQS-UHFFFAOYSA-N 2 0 322.453 0.000 20 30 DCEDRP C=CCN1CC[C@H]([N@H+](C)CCCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001479812984 1017813875 /nfs/dbraw/zinc/81/38/75/1017813875.db2.gz VPRAYZQBJWPJRE-GJZGRUSLSA-N 2 0 322.453 0.163 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001499620510 1017999723 /nfs/dbraw/zinc/99/97/23/1017999723.db2.gz XDTLJRUKNNLZCC-WMZOPIPTSA-N 2 0 319.449 0.512 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001497308496 1018035190 /nfs/dbraw/zinc/03/51/90/1018035190.db2.gz UHYBOQZDYSKBKZ-KGLIPLIRSA-N 2 0 322.453 0.257 20 30 DCEDRP CCN(CC[NH2+]CC#CCOC)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497443224 1018139679 /nfs/dbraw/zinc/13/96/79/1018139679.db2.gz MUUZBNSWCFWUAT-HOTGVXAUSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CC#C)CC1 ZINC001500038297 1018184991 /nfs/dbraw/zinc/18/49/91/1018184991.db2.gz XXVBMZQJCRJUKM-NVXWUHKLSA-N 2 0 301.434 0.886 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC#CCOC ZINC001497766222 1018398962 /nfs/dbraw/zinc/39/89/62/1018398962.db2.gz UKUXVMLGPMZIBF-SQRWCISFSA-N 2 0 307.438 0.773 20 30 DCEDRP C#CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001500418325 1018445257 /nfs/dbraw/zinc/44/52/57/1018445257.db2.gz TYCXVTTXTKMRNR-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001500715201 1018607481 /nfs/dbraw/zinc/60/74/81/1018607481.db2.gz TVFHFZPWESPKEW-DOTOQJQBSA-N 2 0 307.438 0.295 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001498132208 1018676619 /nfs/dbraw/zinc/67/66/19/1018676619.db2.gz KCFSOSUIFXIPPF-HOTGVXAUSA-N 2 0 309.454 0.993 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001480624866 1018719190 /nfs/dbraw/zinc/71/91/90/1018719190.db2.gz WFTVQQCLDRANQQ-DLBZAZTESA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001480770172 1018888767 /nfs/dbraw/zinc/88/87/67/1018888767.db2.gz PIAFHNRUINDWDO-UONOGXRCSA-N 2 0 322.453 0.093 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001501608908 1019323664 /nfs/dbraw/zinc/32/36/64/1019323664.db2.gz UQTXLVIVJPJKDM-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001493543587 1019506687 /nfs/dbraw/zinc/50/66/87/1019506687.db2.gz DUWQOKBJPJWCRR-UHFFFAOYSA-N 2 0 324.469 0.601 20 30 DCEDRP CNC(=[NH2+])NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000267457938 530039378 /nfs/dbraw/zinc/03/93/78/530039378.db2.gz UEYWLERLDOXBFY-AWEZNQCLSA-N 2 0 303.410 0.418 20 30 DCEDRP [NH2+]=C(NCCC[NH+]1CCCC1)N1CCN(c2ncccn2)CC1 ZINC000264141334 238192008 /nfs/dbraw/zinc/19/20/08/238192008.db2.gz WNAYVWSXBPVRGJ-UHFFFAOYSA-N 2 0 317.441 0.399 20 30 DCEDRP C[C@H]1CN(CCN(CCC#N)CCN2CCOCC2)C[C@H](C)O1 ZINC000595333126 396589978 /nfs/dbraw/zinc/58/99/78/396589978.db2.gz MWMLCAUCKBKGFR-IRXDYDNUSA-N 2 0 324.469 0.643 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000343744015 415704461 /nfs/dbraw/zinc/70/44/61/415704461.db2.gz XEMMXJMKMVDJJS-OAHLLOKOSA-N 2 0 322.453 0.306 20 30 DCEDRP CCC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000329380779 416166385 /nfs/dbraw/zinc/16/63/85/416166385.db2.gz PZHBECHTGXPYGP-OAHLLOKOSA-N 2 0 311.474 0.610 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000491375151 416598205 /nfs/dbraw/zinc/59/82/05/416598205.db2.gz URUDICBEAOZAJX-OAHLLOKOSA-N 2 0 310.442 0.088 20 30 DCEDRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424147852 416618424 /nfs/dbraw/zinc/61/84/24/416618424.db2.gz SLWCEFTWBZZIKG-GJZGRUSLSA-N 2 0 310.442 0.967 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000491709819 416618635 /nfs/dbraw/zinc/61/86/35/416618635.db2.gz XINAWWKCQVLFPM-JKSUJKDBSA-N 2 0 306.454 0.973 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000491742908 416621492 /nfs/dbraw/zinc/62/14/92/416621492.db2.gz HHBDJXRHKWUWJG-MRXNPFEDSA-N 2 0 307.438 0.701 20 30 DCEDRP C[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](C)[C@H](CO)C2)C[C@H]1CO ZINC000621372444 417282479 /nfs/dbraw/zinc/28/24/79/417282479.db2.gz VVLWXLNEHLPWND-MHORFTMASA-N 2 0 308.466 0.890 20 30 DCEDRP C[NH+]1C[C@H]2CCN(CC#CCN3CC[C@H]4C[N@@H+](C)C[C@H]43)[C@H]2C1 ZINC000644733053 417651075 /nfs/dbraw/zinc/65/10/75/417651075.db2.gz LGGCLXGYBHYWTC-FZDBZEDMSA-N 2 0 302.466 0.262 20 30 DCEDRP C=CC[C@]1(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CCC[NH2+]1 ZINC000662758891 417894817 /nfs/dbraw/zinc/89/48/17/417894817.db2.gz VASVDNDCAKYQEN-NVXWUHKLSA-N 2 0 308.470 0.684 20 30 DCEDRP CN1CC[N@H+](C)C[C@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000262535941 277102163 /nfs/dbraw/zinc/10/21/63/277102163.db2.gz PNXQJSRFEZMFFH-UKRRQHHQSA-N 2 0 317.437 0.660 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cn2c(n1)SCC2 ZINC000274346763 334060209 /nfs/dbraw/zinc/06/02/09/334060209.db2.gz QXWBWLJYAWDHJG-ZDUSSCGKSA-N 2 0 322.482 0.920 20 30 DCEDRP C[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261984081 526392043 /nfs/dbraw/zinc/39/20/43/526392043.db2.gz POUDDGJICQIMML-DGCLKSJQSA-N 2 0 317.441 0.372 20 30 DCEDRP C=CC[NH+]1CCC(NC(NC[C@]2(O)CCSC2)=[NH+]C)CC1 ZINC000262412666 526416224 /nfs/dbraw/zinc/41/62/24/526416224.db2.gz PPCSKDQCGQYCEA-OAHLLOKOSA-N 2 0 312.483 0.670 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)CCN2CC[NH+](CC)CC2)CC1 ZINC000358222417 526420715 /nfs/dbraw/zinc/42/07/15/526420715.db2.gz IOOWMYOKDMNJCI-UHFFFAOYSA-N 2 0 308.470 0.781 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CCCOC)CC2)CC1 ZINC000377487831 526918101 /nfs/dbraw/zinc/91/81/01/526918101.db2.gz JYMISZMJNPIJQM-UHFFFAOYSA-N 2 0 321.465 0.902 20 30 DCEDRP CC[NH+]=C(NCc1ccn(C)c1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262012211 528828453 /nfs/dbraw/zinc/82/84/53/528828453.db2.gz QWOBGKCYRLAOOM-OAHLLOKOSA-N 2 0 304.442 0.080 20 30 DCEDRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)N(C)C(=O)[C@@H]1CCC[NH+]1C ZINC000329103052 546043539 /nfs/dbraw/zinc/04/35/39/546043539.db2.gz NMUMFSGNRSRPRY-RDBSUJKOSA-N 2 0 310.442 0.978 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978347506 660525949 /nfs/dbraw/zinc/52/59/49/660525949.db2.gz DAWHVSGMLUJFKQ-DGXTUMSLSA-N 2 0 305.422 0.023 20 30 DCEDRP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC000978644321 660579907 /nfs/dbraw/zinc/57/99/07/660579907.db2.gz ZNXNHTIUVCDKOS-WCXIOVBPSA-N 2 0 319.449 0.413 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001028195607 661270551 /nfs/dbraw/zinc/27/05/51/661270551.db2.gz RZYBJNMMPFILBP-MRXNPFEDSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CCN1CC([C@@H](C)NC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC000970420511 657486692 /nfs/dbraw/zinc/48/66/92/657486692.db2.gz PJHBIVYPLKYVCB-OCCSQVGLSA-N 2 0 300.406 0.824 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001023088950 657494784 /nfs/dbraw/zinc/49/47/84/657494784.db2.gz QVPOJDQRTPNXTM-ZNMIVQPWSA-N 2 0 320.437 0.106 20 30 DCEDRP C#CCN1CCO[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972538920 657676401 /nfs/dbraw/zinc/67/64/01/657676401.db2.gz ZWKXSEHLWLKSMV-NVXWUHKLSA-N 2 0 307.438 0.509 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](C[C@H](C)OC)C2)CC1 ZINC000970922666 658084183 /nfs/dbraw/zinc/08/41/83/658084183.db2.gz AFGZERWDPXGHCE-LSDHHAIUSA-N 2 0 321.465 0.803 20 30 DCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971969493 658106734 /nfs/dbraw/zinc/10/67/34/658106734.db2.gz NWLIPYCFQFYHNG-KRIMKBQASA-N 2 0 303.406 0.016 20 30 DCEDRP C#CCN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000969834317 658191040 /nfs/dbraw/zinc/19/10/40/658191040.db2.gz XJJHCTSUBQZBGG-RHSMWYFYSA-N 2 0 319.449 0.700 20 30 DCEDRP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972673927 658222593 /nfs/dbraw/zinc/22/25/93/658222593.db2.gz MCOPTAXXQQDRAK-WBVHZDCISA-N 2 0 307.438 0.818 20 30 DCEDRP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC000972295138 658532401 /nfs/dbraw/zinc/53/24/01/658532401.db2.gz QYTSNOQKSSPSEA-NVXWUHKLSA-N 2 0 307.438 0.960 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@@H+](CCO)C3)CC1 ZINC000982162298 661298175 /nfs/dbraw/zinc/29/81/75/661298175.db2.gz MQVGALOQPLWXCE-UHFFFAOYSA-N 2 0 319.449 0.248 20 30 DCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001000432976 665839842 /nfs/dbraw/zinc/83/98/42/665839842.db2.gz PJPQILSTJBAICO-HNNXBMFYSA-N 2 0 303.410 0.272 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H](C)O)CC1 ZINC001029596301 662423123 /nfs/dbraw/zinc/42/31/23/662423123.db2.gz JDRGBCRDIWVAOI-BHYGNILZSA-N 2 0 319.449 0.388 20 30 DCEDRP CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1C[N@H+](C)CCN1C ZINC000262511796 662436263 /nfs/dbraw/zinc/43/62/63/662436263.db2.gz DMCLJYWGSUKOMP-MRXNPFEDSA-N 2 0 303.454 0.940 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCOC)C2)CC1 ZINC000729979239 662914800 /nfs/dbraw/zinc/91/48/00/662914800.db2.gz CHYCOQRNUSKTDZ-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC1=CC[N@H+]([C@H](C)COC)CC1 ZINC001000786939 665935063 /nfs/dbraw/zinc/93/50/63/665935063.db2.gz DIWCYAHVMVCQAM-WBVHZDCISA-N 2 0 319.449 0.867 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000900726924 663272795 /nfs/dbraw/zinc/27/27/95/663272795.db2.gz XZUGSSZVGRNXKJ-INIZCTEOSA-N 2 0 308.470 0.733 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000900733024 663276909 /nfs/dbraw/zinc/27/69/09/663276909.db2.gz QNUVXOTUIVESKD-INIZCTEOSA-N 2 0 324.469 0.017 20 30 DCEDRP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001001075330 665990199 /nfs/dbraw/zinc/99/01/99/665990199.db2.gz GWAZDIAXCUBXQD-QGZVFWFLSA-N 2 0 319.449 0.867 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000941444502 665995700 /nfs/dbraw/zinc/99/57/00/665995700.db2.gz PQGMDZSUTZOLJN-KRWDZBQOSA-N 2 0 322.497 0.977 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC000911235832 664008923 /nfs/dbraw/zinc/00/89/23/664008923.db2.gz ITAVXYFFFDWSNQ-ZIAGYGMSSA-N 2 0 322.453 0.196 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000911236263 664009064 /nfs/dbraw/zinc/00/90/64/664009064.db2.gz OFCULJYCHIZRDQ-AWEZNQCLSA-N 2 0 322.453 0.340 20 30 DCEDRP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032530260 665312962 /nfs/dbraw/zinc/31/29/62/665312962.db2.gz IZDMGSYFFHWNGE-XJADACSNSA-N 2 0 317.433 0.711 20 30 DCEDRP CC#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001001426883 666050830 /nfs/dbraw/zinc/05/08/30/666050830.db2.gz XVMKYRPFWNMAGZ-IAGOWNOFSA-N 2 0 319.449 0.701 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2C)CC1 ZINC000945178666 666577099 /nfs/dbraw/zinc/57/70/99/666577099.db2.gz FZORXFCTOSIUQL-NVXWUHKLSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000996668310 666852556 /nfs/dbraw/zinc/85/25/56/666852556.db2.gz CSSVYVZHFMFSQB-QGZVFWFLSA-N 2 0 319.449 0.844 20 30 DCEDRP C#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033905454 666863876 /nfs/dbraw/zinc/86/38/76/666863876.db2.gz LEYADBDOYMSNDN-NDUQDZPOSA-N 2 0 317.433 0.406 20 30 DCEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033907975 666865497 /nfs/dbraw/zinc/86/54/97/666865497.db2.gz WJKCBZSJIWTJCE-BNQMIIOLSA-N 2 0 319.449 0.958 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](C[C@H](C)O)C2)CC1 ZINC001034537993 667064116 /nfs/dbraw/zinc/06/41/16/667064116.db2.gz GWLBSTHZEOFZTP-RDJZCZTQSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001034654044 667091485 /nfs/dbraw/zinc/09/14/85/667091485.db2.gz WOLLSELWLHKNEH-KLHDSHLOSA-N 2 0 305.422 0.500 20 30 DCEDRP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C[NH+]1CCCC1 ZINC000884195651 667494562 /nfs/dbraw/zinc/49/45/62/667494562.db2.gz VFVKHXVSIAZFKN-GJEMEMOUSA-N 2 0 304.438 0.974 20 30 DCEDRP CC[NH+]1CCC(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884198971 667496362 /nfs/dbraw/zinc/49/63/62/667496362.db2.gz LZTMOQJTFMOBSJ-CKDBGZEDSA-N 2 0 304.438 0.974 20 30 DCEDRP C[NH+](C)CCn1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)n1 ZINC000884208266 667499325 /nfs/dbraw/zinc/49/93/25/667499325.db2.gz USVPCCBLZWXWPW-UYJPIKCFSA-N 2 0 316.409 0.523 20 30 DCEDRP C[NH+](C)CCn1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)n1 ZINC000884208265 667499334 /nfs/dbraw/zinc/49/93/34/667499334.db2.gz USVPCCBLZWXWPW-MFOWVQHXSA-N 2 0 316.409 0.523 20 30 DCEDRP C[C@@H]1C[C@H](C)N(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@@H]1C[NH3+] ZINC000884348065 667529446 /nfs/dbraw/zinc/52/94/46/667529446.db2.gz MUCOGTKTYFQQGN-YZSGFCRKSA-N 2 0 304.438 0.958 20 30 DCEDRP N#Cc1ccc(N2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)cn1 ZINC000923423156 667530669 /nfs/dbraw/zinc/53/06/69/667530669.db2.gz ZMRZDKIHBKGDDK-MRXNPFEDSA-N 2 0 313.405 0.454 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000884643190 667581223 /nfs/dbraw/zinc/58/12/23/667581223.db2.gz ZJQJMBXVMKUHHV-AWEZNQCLSA-N 2 0 322.453 0.483 20 30 DCEDRP C#CC[C@H]1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000886353192 667759053 /nfs/dbraw/zinc/75/90/53/667759053.db2.gz DFAKUXFOKMPBQU-IRXDYDNUSA-N 2 0 321.465 0.805 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870941212 667776318 /nfs/dbraw/zinc/77/63/18/667776318.db2.gz RWWONUWJZAKZNN-YUSALJHKSA-N 2 0 323.194 0.677 20 30 DCEDRP C#CCN1CCC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000890370929 668123958 /nfs/dbraw/zinc/12/39/58/668123958.db2.gz IZFVGIQKPDIELC-INIZCTEOSA-N 2 0 323.485 0.219 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000876780892 668509624 /nfs/dbraw/zinc/50/96/24/668509624.db2.gz IXXNZVRONCSADV-AWEZNQCLSA-N 2 0 316.877 0.990 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000876782961 668510237 /nfs/dbraw/zinc/51/02/37/668510237.db2.gz XBYCSKJUBJOBNJ-AAEUAGOBSA-N 2 0 302.850 0.456 20 30 DCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000876869308 668523905 /nfs/dbraw/zinc/52/39/05/668523905.db2.gz DMWWYIQKEOFIKW-GOEBONIOSA-N 2 0 314.389 0.240 20 30 DCEDRP C[NH+](C)CCOCCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876889977 668529351 /nfs/dbraw/zinc/52/93/51/668529351.db2.gz SWAXQOBBXOWPCP-MRXNPFEDSA-N 2 0 316.405 0.439 20 30 DCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H](CC#N)C(F)(F)F ZINC000932908479 669436229 /nfs/dbraw/zinc/43/62/29/669436229.db2.gz UERREXVIERNYTE-NSHDSACASA-N 2 0 323.363 0.966 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCO)[C@@H](C)C2)CC1 ZINC000948070765 670053273 /nfs/dbraw/zinc/05/32/73/670053273.db2.gz SFFMKLLTUPOQPZ-DOTOQJQBSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[N@H+]1CC[C@H]2CN(C(=O)COC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036856469 670223185 /nfs/dbraw/zinc/22/31/85/670223185.db2.gz RVDWZHYGIYHCFY-RDJZCZTQSA-N 2 0 319.449 0.653 20 30 DCEDRP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000949380470 670328070 /nfs/dbraw/zinc/32/80/70/670328070.db2.gz HRTPFUDFIAYDAM-PQUAAJSLSA-N 2 0 319.449 0.960 20 30 DCEDRP C[NH+]=C(NCCN1CCOCC1)NCc1ccc2c[nH+]cn2c1 ZINC000849040030 670753686 /nfs/dbraw/zinc/75/36/86/670753686.db2.gz GDGFEVCDERYFDV-UHFFFAOYSA-N 2 0 316.409 0.332 20 30 DCEDRP C=C(CNC(=O)C(=C)C[NH+](C)C)CNC(=O)C(=C)C[NH+](C)C ZINC000856338427 670805742 /nfs/dbraw/zinc/80/57/42/670805742.db2.gz DPZJVUQCKJKGFD-UHFFFAOYSA-N 2 0 308.426 0.011 20 30 DCEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000819032824 671086690 /nfs/dbraw/zinc/08/66/90/671086690.db2.gz JLNSWUDNUNCDIB-RHSMWYFYSA-N 2 0 302.422 0.817 20 30 DCEDRP C#CCC[NH+]1CCC(NC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000820193467 671177695 /nfs/dbraw/zinc/17/76/95/671177695.db2.gz ZDYBUAHIGKGBEL-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP Cc1cc([C@H]([NH3+])CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cc(Cl)n1 ZINC000834484259 671763336 /nfs/dbraw/zinc/76/33/36/671763336.db2.gz GKBOBSUKXSPMQE-TUAOUCFPSA-N 2 0 307.785 0.661 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000836486462 671825943 /nfs/dbraw/zinc/82/59/43/671825943.db2.gz DXDYFNGHNSQNRJ-UHFFFAOYSA-N 2 0 315.421 0.868 20 30 DCEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@H](CC(C)C)[NH+](C)C ZINC000303790792 685207417 /nfs/dbraw/zinc/20/74/17/685207417.db2.gz WVQRORXWVINWSC-HNNXBMFYSA-N 2 0 313.490 0.460 20 30 DCEDRP C[C@H]1CCCN(C(=[NH2+])NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000303979178 685209255 /nfs/dbraw/zinc/20/92/55/685209255.db2.gz MUEYEPMZAXIRLA-LSDHHAIUSA-N 2 0 323.485 0.976 20 30 DCEDRP CCCNC(=[NH2+])NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000304794014 685211607 /nfs/dbraw/zinc/21/16/07/685211607.db2.gz UKRKQILYIOVFDU-UHFFFAOYSA-N 2 0 311.474 0.927 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958170940 687402745 /nfs/dbraw/zinc/40/27/45/687402745.db2.gz CLVSJNPGJBVYQL-JKSUJKDBSA-N 2 0 321.465 0.847 20 30 DCEDRP C#CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958554939 687741446 /nfs/dbraw/zinc/74/14/46/687741446.db2.gz JCSMTWJFBFBGPH-SJORKVTESA-N 2 0 321.465 0.539 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCC)C[C@@H]2O)CC1 ZINC000958724132 687876846 /nfs/dbraw/zinc/87/68/46/687876846.db2.gz LWUNNILNZWTRIG-HOTGVXAUSA-N 2 0 307.438 0.151 20 30 DCEDRP C#CC[N@H+]1CCC2(CN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)C1 ZINC001072746308 694659751 /nfs/dbraw/zinc/65/97/51/694659751.db2.gz GURIRBRZTKMWHW-UHFFFAOYSA-N 2 0 315.421 0.226 20 30 DCEDRP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075798916 694977456 /nfs/dbraw/zinc/97/74/56/694977456.db2.gz SYHPFMNETVHSHD-YESZJQIVSA-N 2 0 301.434 0.884 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001570423243 1162510884 /nfs/dbraw/zinc/51/08/84/1162510884.db2.gz HKKLMHXUHMMWJB-UHFFFAOYSA-N 2 0 321.465 0.685 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001570461916 1162523353 /nfs/dbraw/zinc/52/33/53/1162523353.db2.gz RREVRZFCQWDNKG-AWEZNQCLSA-N 2 0 322.453 0.401 20 30 DCEDRP C=CC[NH2+]CC1CC(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001570574664 1162548452 /nfs/dbraw/zinc/54/84/52/1162548452.db2.gz XVMQABHZLPKYKS-UHFFFAOYSA-N 2 0 305.426 0.729 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001570652337 1162575891 /nfs/dbraw/zinc/57/58/91/1162575891.db2.gz CJXGLGULCLYOBN-HZPDHXFCSA-N 2 0 309.454 0.995 20 30 DCEDRP COCC#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001571328705 1162701691 /nfs/dbraw/zinc/70/16/91/1162701691.db2.gz DIYMZCPCPOTIJO-MRXNPFEDSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)C[C@H](C)O)C2)CC1 ZINC001691997533 1157565499 /nfs/dbraw/zinc/56/54/99/1157565499.db2.gz DMYBFVVOALLQFU-HOTGVXAUSA-N 2 0 321.465 0.493 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001571661290 1162882739 /nfs/dbraw/zinc/88/27/39/1162882739.db2.gz JHTOMFUFERQRQN-NRXISQOPSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H](C)COC)C2)CC1 ZINC001691480948 1157799472 /nfs/dbraw/zinc/79/94/72/1157799472.db2.gz AGBCHPGTZKTQDG-YQQAZPJKSA-N 2 0 321.465 0.851 20 30 DCEDRP C=CCCC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001672503304 1157957477 /nfs/dbraw/zinc/95/74/77/1157957477.db2.gz JNAZRKFGDBPZKB-RDJZCZTQSA-N 2 0 309.454 0.847 20 30 DCEDRP COCC#CC[NH2+]CC1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001755216521 1158012608 /nfs/dbraw/zinc/01/26/08/1158012608.db2.gz CDCIQADYKRCEIH-UYSNPLJNSA-N 2 0 309.454 0.707 20 30 DCEDRP C=C(C)C[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001691535316 1158317423 /nfs/dbraw/zinc/31/74/23/1158317423.db2.gz FBAUROZNVOMHMH-HZPDHXFCSA-N 2 0 309.454 0.800 20 30 DCEDRP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001691535930 1158318319 /nfs/dbraw/zinc/31/83/19/1158318319.db2.gz MEXYPJZTMIOLCK-QGZVFWFLSA-N 2 0 321.465 0.637 20 30 DCEDRP C#CCC[NH+](CCO)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001691535758 1158318474 /nfs/dbraw/zinc/31/84/74/1158318474.db2.gz KAZFZGMVDHUKPS-MRXNPFEDSA-N 2 0 309.454 0.637 20 30 DCEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)CCO1 ZINC001752843272 1158319450 /nfs/dbraw/zinc/31/94/50/1158319450.db2.gz AFSQMDCLQQPYQC-OWYFMNJBSA-N 2 0 307.438 0.718 20 30 DCEDRP C=C(Br)C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001439040953 1159278387 /nfs/dbraw/zinc/27/83/87/1159278387.db2.gz FQJVXYFRZUBWFG-LLVKDONJSA-N 2 0 320.231 0.058 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]C[C@@H](CC)OC)CC1 ZINC001567082719 1160232837 /nfs/dbraw/zinc/23/28/37/1160232837.db2.gz VEZULEJGNJALFG-GDBMZVCRSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[NH2+]CCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001567606790 1160438096 /nfs/dbraw/zinc/43/80/96/1160438096.db2.gz BMEKLBMVDBCPCW-UHFFFAOYSA-N 2 0 309.454 0.950 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#CCOC)[C@H](C)C1 ZINC001568369727 1160637096 /nfs/dbraw/zinc/63/70/96/1160637096.db2.gz VLIUOBKVVACTBI-CVEARBPZSA-N 2 0 309.454 0.805 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001568984533 1160908586 /nfs/dbraw/zinc/90/85/86/1160908586.db2.gz RIPJSSCGJCREEV-CABCVRRESA-N 2 0 324.469 0.600 20 30 DCEDRP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001569755971 1161228272 /nfs/dbraw/zinc/22/82/72/1161228272.db2.gz OCIYCZDIMHSUEI-SJLPKXTDSA-N 2 0 321.465 0.685 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001569829340 1161280722 /nfs/dbraw/zinc/28/07/22/1161280722.db2.gz XHNPMTMHMQTMEO-HOTGVXAUSA-N 2 0 309.454 0.803 20 30 DCEDRP C#CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001570187889 1161485654 /nfs/dbraw/zinc/48/56/54/1161485654.db2.gz RQPJDGUAKUSCAB-OAHLLOKOSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCN(C(=O)c1ccc(C[NH+](C)C)nc1)C1CC[NH2+]CC1 ZINC001574590995 1163734838 /nfs/dbraw/zinc/73/48/38/1163734838.db2.gz SHMHDBCLTAWDQH-UHFFFAOYSA-N 2 0 300.406 0.971 20 30 DCEDRP C[NH+](C)C[C@@]1(O)CCCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC001578412351 1165004148 /nfs/dbraw/zinc/00/41/48/1165004148.db2.gz LTGQENIYTXOYGL-VLVHBFOGSA-N 2 0 320.437 0.041 20 30 DCEDRP N#Cc1ccc(CN2CCC([NH2+]C[C@H]3C[NH2+]C[C@H]3O)CC2)cc1 ZINC001580066472 1165490846 /nfs/dbraw/zinc/49/08/46/1165490846.db2.gz MFWZHODYVAKSJL-SJLPKXTDSA-N 2 0 314.433 0.693 20 30 DCEDRP N#Cc1ncc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)nc1C#N ZINC001580084125 1165494879 /nfs/dbraw/zinc/49/48/79/1165494879.db2.gz DLKKVPIBCZMDDX-OKILXGFUSA-N 2 0 323.404 0.625 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001671251307 1173662745 /nfs/dbraw/zinc/66/27/45/1173662745.db2.gz KCTWGYJTFBKALC-HUUCEWRRSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H](C)C1 ZINC001671251306 1173663082 /nfs/dbraw/zinc/66/30/82/1173663082.db2.gz KCTWGYJTFBKALC-GJZGRUSLSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001656780739 1173883468 /nfs/dbraw/zinc/88/34/68/1173883468.db2.gz ZEBGPSVWKOXGOZ-INIZCTEOSA-N 2 0 323.481 0.883 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CCO1 ZINC001673306740 1174021327 /nfs/dbraw/zinc/02/13/27/1174021327.db2.gz ZPKDLKZGQHTAPA-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCN1CC[NH+](CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001660904508 1174066550 /nfs/dbraw/zinc/06/65/50/1174066550.db2.gz KMJFCRCICICNBO-MRXNPFEDSA-N 2 0 308.470 0.638 20 30 DCEDRP C=CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001664772151 1174457326 /nfs/dbraw/zinc/45/73/26/1174457326.db2.gz ONTYLDLVQCQHOK-HZPDHXFCSA-N 2 0 308.470 0.589 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CC#CCOC)C1 ZINC001667695534 1174702541 /nfs/dbraw/zinc/70/25/41/1174702541.db2.gz XXXRZUCSBJJEPF-IRXDYDNUSA-N 2 0 321.465 0.901 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)c1sccc1C[NH+](C)C ZINC001667832078 1174720157 /nfs/dbraw/zinc/72/01/57/1174720157.db2.gz QSKXYHOMQWHSIH-CYBMUJFWSA-N 2 0 309.435 0.513 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001667836927 1174721948 /nfs/dbraw/zinc/72/19/48/1174721948.db2.gz KSBQWAWMLHQYJV-HOTGVXAUSA-N 2 0 307.438 0.483 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]CC#CCOC)CC1 ZINC001668652945 1174817215 /nfs/dbraw/zinc/81/72/15/1174817215.db2.gz XWVPTQUJQMCGHK-UHFFFAOYSA-N 2 0 319.449 0.420 20 30 DCEDRP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001671774037 1175035569 /nfs/dbraw/zinc/03/55/69/1175035569.db2.gz CZNXSVSHRYHUFE-KRWDZBQOSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001674080657 1175251713 /nfs/dbraw/zinc/25/17/13/1175251713.db2.gz YXPBSQXKFMZKKO-OAHLLOKOSA-N 2 0 307.438 0.437 20 30 DCEDRP C=C(C)C[NH+]1CCC(CO)(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001674324391 1175270575 /nfs/dbraw/zinc/27/05/75/1175270575.db2.gz KXUBQCXAOBFQET-OAHLLOKOSA-N 2 0 309.454 0.847 20 30 DCEDRP CCC[C@H]1CN(C(=O)NCC#CC[NH+](C)C)CC[N@@H+]1CCOC ZINC001676930534 1175504005 /nfs/dbraw/zinc/50/40/05/1175504005.db2.gz SPFVQHDHABRAEV-INIZCTEOSA-N 2 0 324.469 0.694 20 30 DCEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001677100225 1175527003 /nfs/dbraw/zinc/52/70/03/1175527003.db2.gz XDPGWLPFRYVERB-HNNXBMFYSA-N 2 0 309.454 0.541 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001687889144 1175590621 /nfs/dbraw/zinc/59/06/21/1175590621.db2.gz NWDGCBOXBHRJIV-UHFFFAOYSA-N 2 0 322.453 0.494 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001684179135 1175989505 /nfs/dbraw/zinc/98/95/05/1175989505.db2.gz MRVZCJMHALNVKA-OAHLLOKOSA-N 2 0 308.426 0.104 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC#CCOC ZINC001689806111 1177062052 /nfs/dbraw/zinc/06/20/52/1177062052.db2.gz YDLBVBGKHWLPSU-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP CC[N@H+](C)CCC(=O)N(C)C1CC[NH+](CC#CCOC)CC1 ZINC001690029271 1177145669 /nfs/dbraw/zinc/14/56/69/1177145669.db2.gz ZDXNERDGMWQRAS-UHFFFAOYSA-N 2 0 309.454 0.901 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001690785672 1177324221 /nfs/dbraw/zinc/32/42/21/1177324221.db2.gz XBCMHHNJTQDRPJ-CABCVRRESA-N 2 0 322.453 0.095 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CCOC)C2)CC1 ZINC001690787593 1177326099 /nfs/dbraw/zinc/32/60/99/1177326099.db2.gz JVXJECYENNRWFS-IRXDYDNUSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001690822663 1177334484 /nfs/dbraw/zinc/33/44/84/1177334484.db2.gz KOHYRIKQCUYJJG-DLBZAZTESA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001690860076 1177338182 /nfs/dbraw/zinc/33/81/82/1177338182.db2.gz RFAXBUWUEHWNOK-PMPSAXMXSA-N 2 0 309.454 0.851 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001691827024 1177367553 /nfs/dbraw/zinc/36/75/53/1177367553.db2.gz SASNWWKLUHQJJW-INIZCTEOSA-N 2 0 307.438 0.389 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001698829328 1177684803 /nfs/dbraw/zinc/68/48/03/1177684803.db2.gz OWCMUGJVBYZUFG-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699003459 1177761883 /nfs/dbraw/zinc/76/18/83/1177761883.db2.gz XBQYRIPVHUCETJ-MRXNPFEDSA-N 2 0 307.438 0.368 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+][C@H](C)COC)CC1 ZINC001699554489 1178198028 /nfs/dbraw/zinc/19/80/28/1178198028.db2.gz RRPVLXUHJFKZTI-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001699590857 1178208797 /nfs/dbraw/zinc/20/87/97/1178208797.db2.gz WWLSHNXODIWGRX-ZBFHGGJFSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]C[C@@H](C)OC)CC2)CC1 ZINC001699676561 1178247158 /nfs/dbraw/zinc/24/71/58/1178247158.db2.gz VKMOAWHEKRAFFP-CQSZACIVSA-N 2 0 307.438 0.605 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001699759455 1178277328 /nfs/dbraw/zinc/27/73/28/1178277328.db2.gz VWTCUDWMZNXWHA-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001699859719 1178320510 /nfs/dbraw/zinc/32/05/10/1178320510.db2.gz SGHLGCFJLBZVTR-QGZVFWFLSA-N 2 0 309.454 0.805 20 30 DCEDRP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001699901115 1178354443 /nfs/dbraw/zinc/35/44/43/1178354443.db2.gz LKGXEMNMKUTWHJ-WBVHZDCISA-N 2 0 309.454 0.683 20 30 DCEDRP C[C@H]1CC[N@H+](CC(=O)NCC[NH+]2CCC(NCC#N)CC2)C1 ZINC001699994951 1178412289 /nfs/dbraw/zinc/41/22/89/1178412289.db2.gz JAGAIZRRLLXSHT-AWEZNQCLSA-N 2 0 307.442 0.022 20 30 DCEDRP C#CCC[NH+]1CCC[C@](CO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001700006991 1178426582 /nfs/dbraw/zinc/42/65/82/1178426582.db2.gz IAKHQWLBHWYHSY-RDJZCZTQSA-N 2 0 307.438 0.295 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001700073798 1178470041 /nfs/dbraw/zinc/47/00/41/1178470041.db2.gz ZIIVDVWZHVAXLN-LSDHHAIUSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001700141887 1178493631 /nfs/dbraw/zinc/49/36/31/1178493631.db2.gz KSSOVRMVPHUBIV-UHFFFAOYSA-N 2 0 320.437 0.013 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001700203874 1178529776 /nfs/dbraw/zinc/52/97/76/1178529776.db2.gz VDBMLSODSLRKIR-HUUCEWRRSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001700939711 1178817533 /nfs/dbraw/zinc/81/75/33/1178817533.db2.gz SSORGYHFQFGUAH-CVEARBPZSA-N 2 0 309.454 0.988 20 30 DCEDRP CC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001707209391 1180435809 /nfs/dbraw/zinc/43/58/09/1180435809.db2.gz RSJHILDQCVDAAA-INIZCTEOSA-N 2 0 321.465 0.637 20 30 DCEDRP C#CC[N@@H+](CCCNC(=O)C(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC001713038989 1180645157 /nfs/dbraw/zinc/64/51/57/1180645157.db2.gz PGIGDWCJQHKEDN-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713150725 1180697915 /nfs/dbraw/zinc/69/79/15/1180697915.db2.gz URHROPUAHSFVLV-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001713194150 1180714465 /nfs/dbraw/zinc/71/44/65/1180714465.db2.gz XHBLZNMPVMFDFX-BETUJISGSA-N 2 0 308.426 0.010 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001713379261 1180790540 /nfs/dbraw/zinc/79/05/40/1180790540.db2.gz PNMPYXUCLGCUGA-HZPDHXFCSA-N 2 0 309.454 0.995 20 30 DCEDRP COCC#CC[NH2+][C@H](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001713685157 1181015322 /nfs/dbraw/zinc/01/53/22/1181015322.db2.gz YIUYYNLLIDIEDI-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCNC(=O)C[NH2+]C1CCC(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001714198008 1181278871 /nfs/dbraw/zinc/27/88/71/1181278871.db2.gz CANSFJPUMXPKDW-UHFFFAOYSA-N 2 0 322.453 0.095 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2cc(C)no2)CC1 ZINC001714309298 1181316533 /nfs/dbraw/zinc/31/65/33/1181316533.db2.gz NYHQMMYLMRNPEY-CQSZACIVSA-N 2 0 318.421 0.923 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@](C)(C[NH2+]C[C@@H](C)O)C2CC2)CC1 ZINC001715123706 1181695325 /nfs/dbraw/zinc/69/53/25/1181695325.db2.gz JVIBZHOEHHMYLY-RDTXWAMCSA-N 2 0 321.465 0.587 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)CC#CCOC)CC1 ZINC001715540215 1181849821 /nfs/dbraw/zinc/84/98/21/1181849821.db2.gz UMQNVIZILBODSA-UHFFFAOYSA-N 2 0 319.449 0.372 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+][C@H](CC)C(N)=O)CC1 ZINC001715709497 1181951166 /nfs/dbraw/zinc/95/11/66/1181951166.db2.gz SLFPSZJFOSQKDS-UKRRQHHQSA-N 2 0 322.453 0.080 20 30 DCEDRP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001715714980 1181952965 /nfs/dbraw/zinc/95/29/65/1181952965.db2.gz OSHXXPWUOPJISL-GJZGRUSLSA-N 2 0 322.453 0.095 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCOCC1 ZINC001715830198 1182035041 /nfs/dbraw/zinc/03/50/41/1182035041.db2.gz XZTGLGPIEWWTAV-IDOMTICXSA-N 2 0 319.449 0.773 20 30 DCEDRP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC#CCOC ZINC001716637212 1182472735 /nfs/dbraw/zinc/47/27/35/1182472735.db2.gz OOJIZSXVIFLNTJ-HOTGVXAUSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[N@@H+](CCOC)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001716717744 1182501721 /nfs/dbraw/zinc/50/17/21/1182501721.db2.gz TWTRAGQZTWFMSU-UHFFFAOYSA-N 2 0 319.449 0.655 20 30 DCEDRP C=CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001717062296 1182658939 /nfs/dbraw/zinc/65/89/39/1182658939.db2.gz OQDZADQOEAATJC-JKSUJKDBSA-N 2 0 309.454 0.990 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)c2cnn(CC[NH+](C)C)c2)CCC1 ZINC001717159876 1182700193 /nfs/dbraw/zinc/70/01/93/1182700193.db2.gz YWNNUJZJSPVRHI-UHFFFAOYSA-N 2 0 317.437 0.710 20 30 DCEDRP CC#CC[NH+]1CCC(CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001717350551 1182796385 /nfs/dbraw/zinc/79/63/85/1182796385.db2.gz HSVSCKGROHZHJA-INIZCTEOSA-N 2 0 319.449 0.295 20 30 DCEDRP C#CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001717617197 1182926871 /nfs/dbraw/zinc/92/68/71/1182926871.db2.gz VCUZLUGYPMQCAC-CABCVRRESA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@@H]1C ZINC001717793341 1183004130 /nfs/dbraw/zinc/00/41/30/1183004130.db2.gz ZUELJCYRUADOCM-HUUCEWRRSA-N 2 0 317.437 0.661 20 30 DCEDRP COCC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001717821045 1183016686 /nfs/dbraw/zinc/01/66/86/1183016686.db2.gz ABRDJXPKNWZLPD-GDBMZVCRSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[N@@H+]1CC[C@]2(NC(=O)COC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001717839917 1183026800 /nfs/dbraw/zinc/02/68/00/1183026800.db2.gz DRFLFEITYDCCHY-SJLPKXTDSA-N 2 0 319.449 0.844 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[NH2+]CCC(=C)C)CC1 ZINC001717933796 1183072198 /nfs/dbraw/zinc/07/21/98/1183072198.db2.gz XIRNACVNSNCJJX-QGZVFWFLSA-N 2 0 321.465 0.707 20 30 DCEDRP C#CC[N@@H+](CCOC)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001723653376 1184333216 /nfs/dbraw/zinc/33/32/16/1184333216.db2.gz IZAGKBPAMLVNEU-NVXWUHKLSA-N 2 0 321.465 0.899 20 30 DCEDRP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001724223185 1184402688 /nfs/dbraw/zinc/40/26/88/1184402688.db2.gz ORUDNEVFNPIIQZ-SFHVURJKSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001724334737 1184411341 /nfs/dbraw/zinc/41/13/41/1184411341.db2.gz VSAFLPPHVXOUIW-KRWDZBQOSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724907611 1184614001 /nfs/dbraw/zinc/61/40/01/1184614001.db2.gz JPFJRNVEVDPWOB-KRWDZBQOSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CC[NH2+][C@@H](CO)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001725537255 1184869256 /nfs/dbraw/zinc/86/92/56/1184869256.db2.gz ASZPHWLVMVZONX-DOMZBBRYSA-N 2 0 301.406 0.452 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)[C@@H](C)COC)CC1 ZINC001731286307 1185244982 /nfs/dbraw/zinc/24/49/82/1185244982.db2.gz JTZXAKTYXZEHIZ-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001731482025 1185353542 /nfs/dbraw/zinc/35/35/42/1185353542.db2.gz PRIPTRCQXBPWOG-OKILXGFUSA-N 2 0 320.437 0.154 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001731528161 1185375732 /nfs/dbraw/zinc/37/57/32/1185375732.db2.gz XQLJMPCGGHWAQT-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001731944489 1185597786 /nfs/dbraw/zinc/59/77/86/1185597786.db2.gz QVABFHJULKYOBI-ZNMIVQPWSA-N 2 0 324.469 0.455 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001732975266 1186088595 /nfs/dbraw/zinc/08/85/95/1186088595.db2.gz XIBFCYWCNUYCIT-CABCVRRESA-N 2 0 324.469 0.647 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)COC)CC1 ZINC001733065856 1186125590 /nfs/dbraw/zinc/12/55/90/1186125590.db2.gz JWDSRPWQCUZCHF-CABCVRRESA-N 2 0 309.454 0.803 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001733172579 1186168911 /nfs/dbraw/zinc/16/89/11/1186168911.db2.gz HCVUWKZMUMIJTI-IRXDYDNUSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001733334191 1186230596 /nfs/dbraw/zinc/23/05/96/1186230596.db2.gz QNDPDFUHFRCTKI-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@](C)(C[NH2+]CCO)C2)CC1 ZINC001733446352 1186273498 /nfs/dbraw/zinc/27/34/98/1186273498.db2.gz VXZPBUGYXLBAMG-KRWDZBQOSA-N 2 0 307.438 0.152 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001733473053 1186281447 /nfs/dbraw/zinc/28/14/47/1186281447.db2.gz NCPJVJTXOXCYLI-OAHLLOKOSA-N 2 0 307.438 0.607 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001734340051 1186618344 /nfs/dbraw/zinc/61/83/44/1186618344.db2.gz DPMVAMXROQDUHN-CYBMUJFWSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CCC[NH+]1CCN(CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001752354740 1188415948 /nfs/dbraw/zinc/41/59/48/1188415948.db2.gz DAQASXFRVOYODK-KRWDZBQOSA-N 2 0 320.481 0.475 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CCOC)CC2)CC1 ZINC001753587519 1188620933 /nfs/dbraw/zinc/62/09/33/1188620933.db2.gz HKIPILLOAZSTRP-QAQDUYKDSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001753709425 1188644561 /nfs/dbraw/zinc/64/45/61/1188644561.db2.gz YHAVMRCXNKHDIB-KKUMJFAQSA-N 2 0 324.469 0.455 20 30 DCEDRP COCC#CC[NH2+]C/C=C/CNC(=O)C12CCC[NH+]1CCC2 ZINC001754143263 1188758584 /nfs/dbraw/zinc/75/85/84/1188758584.db2.gz ITFRFIRRRLHQQZ-NSCUHMNNSA-N 2 0 305.422 0.527 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001754254783 1188800184 /nfs/dbraw/zinc/80/01/84/1188800184.db2.gz ODXKMLHJEMVPOI-HUUCEWRRSA-N 2 0 322.453 0.095 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC#CCOC)CC2 ZINC001754962658 1188980798 /nfs/dbraw/zinc/98/07/98/1188980798.db2.gz KERDVEQCMBDRJJ-UHFFFAOYSA-N 2 0 321.465 0.902 20 30 DCEDRP C=CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001755154528 1189038112 /nfs/dbraw/zinc/03/81/12/1189038112.db2.gz RUKLSTBNGMWVCZ-MRXNPFEDSA-N 2 0 321.465 0.847 20 30 DCEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001755391168 1189100245 /nfs/dbraw/zinc/10/02/45/1189100245.db2.gz GTXRQNDXWJRIRY-HUUCEWRRSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CCC[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001755441946 1189113913 /nfs/dbraw/zinc/11/39/13/1189113913.db2.gz LVLLAMXSDWKLBN-GDBMZVCRSA-N 2 0 307.438 0.700 20 30 DCEDRP CN(CCC#N)C[C@H](O)C[NH2+]C1CC[NH+](C2CCOCC2)CC1 ZINC001772048709 1190599737 /nfs/dbraw/zinc/59/97/37/1190599737.db2.gz BDGLGWHUMNIWFG-QGZVFWFLSA-N 2 0 324.469 0.426 20 30 DCEDRP CC#CC[NH2+]CC1(CCNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001167564123 747384942 /nfs/dbraw/zinc/38/49/42/747384942.db2.gz WAZWPQWPWAOXRE-UHFFFAOYSA-N 2 0 321.465 0.997 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167667703 747466653 /nfs/dbraw/zinc/46/66/53/747466653.db2.gz LWWLIXIEEUQBTO-CQSZACIVSA-N 2 0 324.469 0.505 20 30 DCEDRP C=CCC[NH2+]Cc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105320785 748130516 /nfs/dbraw/zinc/13/05/16/748130516.db2.gz JFNLSLMORWSEPP-UHFFFAOYSA-N 2 0 306.414 0.279 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCO)[C@@H]1CC ZINC001087608019 748995890 /nfs/dbraw/zinc/99/58/90/748995890.db2.gz KZRUDBGKYBRARW-XHSDSOJGSA-N 2 0 307.438 0.436 20 30 DCEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083524369 750095907 /nfs/dbraw/zinc/09/59/07/750095907.db2.gz RJFQEXVCCAWNFG-OAGGEKHMSA-N 2 0 309.454 0.987 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001098462477 762049370 /nfs/dbraw/zinc/04/93/70/762049370.db2.gz WNYZZCABIRUNEQ-UHFFFAOYSA-N 2 0 309.454 0.637 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874645 751336402 /nfs/dbraw/zinc/33/64/02/751336402.db2.gz OFPSHDRBABCKFM-IXDOHACOSA-N 2 0 321.465 0.662 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@]1(C)C[N@H+](CC(C)C)CCO1 ZINC001108004555 752899995 /nfs/dbraw/zinc/89/99/95/752899995.db2.gz XDSASCJSXAAZKX-WMZOPIPTSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001046035360 753437427 /nfs/dbraw/zinc/43/74/27/753437427.db2.gz JYULYZUEEWJJAZ-DLBZAZTESA-N 2 0 318.465 0.178 20 30 DCEDRP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC001046040445 753442911 /nfs/dbraw/zinc/44/29/11/753442911.db2.gz ITUPHKKLMJBADC-IAGOWNOFSA-N 2 0 320.481 0.875 20 30 DCEDRP C=CC[NH+]1CC[C@H](N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046077727 753469266 /nfs/dbraw/zinc/46/92/66/753469266.db2.gz YDADATYTVRNNMY-IRXDYDNUSA-N 2 0 320.481 0.733 20 30 DCEDRP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046082238 753471923 /nfs/dbraw/zinc/47/19/23/753471923.db2.gz PFCVDFLBFLTUCF-IRXDYDNUSA-N 2 0 318.465 0.180 20 30 DCEDRP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001047498364 754333193 /nfs/dbraw/zinc/33/31/93/754333193.db2.gz RYDMMLYKMNBLBJ-ULQDDVLXSA-N 2 0 321.465 0.635 20 30 DCEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001047577384 754405513 /nfs/dbraw/zinc/40/55/13/754405513.db2.gz KOGLIIXRGVTPBV-HOTGVXAUSA-N 2 0 307.438 0.245 20 30 DCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205046 754557867 /nfs/dbraw/zinc/55/78/67/754557867.db2.gz OVYDGXVCUZFPQO-CABCVRRESA-N 2 0 320.441 0.538 20 30 DCEDRP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833485 754967544 /nfs/dbraw/zinc/96/75/44/754967544.db2.gz PLGBNDIALVFHFD-VVLHAWIVSA-N 2 0 319.449 0.816 20 30 DCEDRP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)COC1CC[NH+](C)CC1 ZINC001049828244 755415490 /nfs/dbraw/zinc/41/54/90/755415490.db2.gz OAEDPPFEBSHFHN-DLBZAZTESA-N 2 0 319.449 0.796 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCO)CC1 ZINC001049921509 755447931 /nfs/dbraw/zinc/44/79/31/755447931.db2.gz WSMTXAJMSZIFJO-IRXDYDNUSA-N 2 0 319.449 0.389 20 30 DCEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001097093590 755595118 /nfs/dbraw/zinc/59/51/18/755595118.db2.gz OOPMMYUFADISPN-BMFZPTHFSA-N 2 0 317.437 0.966 20 30 DCEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001090356318 755667709 /nfs/dbraw/zinc/66/77/09/755667709.db2.gz VVOYMNYXKPVCGI-CABCVRRESA-N 2 0 307.438 0.600 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCOC)CC2)CC1 ZINC001052953880 755883728 /nfs/dbraw/zinc/88/37/28/755883728.db2.gz JHPXXHVFZJLHJG-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C1 ZINC001083086020 757485268 /nfs/dbraw/zinc/48/52/68/757485268.db2.gz ZLLVMAQEYQGREB-LVQVYYBASA-N 2 0 307.438 0.814 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCO)CCCCC2)CC1 ZINC001120197020 758229309 /nfs/dbraw/zinc/22/93/09/758229309.db2.gz RZVRFTOTGXVOMG-UHFFFAOYSA-N 2 0 321.465 0.733 20 30 DCEDRP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001098385744 759007471 /nfs/dbraw/zinc/00/74/71/759007471.db2.gz FSCVRFYPLWDOTH-QGZVFWFLSA-N 2 0 321.465 0.779 20 30 DCEDRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001147841803 767858393 /nfs/dbraw/zinc/85/83/93/767858393.db2.gz IJOSPYZKAOCNNY-UHFFFAOYSA-N 2 0 321.396 0.461 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2[C@H](C)COC)CC1 ZINC001085986630 759546909 /nfs/dbraw/zinc/54/69/09/759546909.db2.gz JCGCBQNUVYVBSX-WBVHZDCISA-N 2 0 321.465 0.899 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2C[C@@H](C)OC)CC1 ZINC001085987044 759547263 /nfs/dbraw/zinc/54/72/63/759547263.db2.gz RXSSVKNQIOVKQH-NVXWUHKLSA-N 2 0 321.465 0.899 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CCOC)CC1 ZINC001085984382 759549211 /nfs/dbraw/zinc/54/92/11/759549211.db2.gz BJOJKWQUHMJZJQ-MRXNPFEDSA-N 2 0 307.438 0.511 20 30 DCEDRP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001108344023 760418272 /nfs/dbraw/zinc/41/82/72/760418272.db2.gz GLCBVLXGDJTXTC-INIZCTEOSA-N 2 0 307.438 0.865 20 30 DCEDRP C#CCCN1CCO[C@](C)(CNC(=O)Cn2ccnc2C)C1 ZINC001108398273 760458149 /nfs/dbraw/zinc/45/81/49/760458149.db2.gz DNEZXVWHQULEQQ-MRXNPFEDSA-N 2 0 304.394 0.422 20 30 DCEDRP C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001109926288 761608337 /nfs/dbraw/zinc/60/83/37/761608337.db2.gz BRKGFRGKFZTQFQ-ILXRZTDVSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C(F)(F)F ZINC001099332675 762865815 /nfs/dbraw/zinc/86/58/15/762865815.db2.gz HSCCWUYQQVXBCD-VXGBXAGGSA-N 2 0 315.339 0.694 20 30 DCEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099871433 763090718 /nfs/dbraw/zinc/09/07/18/763090718.db2.gz DBHNFRUWGIOFNY-GJZGRUSLSA-N 2 0 309.454 0.988 20 30 DCEDRP C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001130423021 763296229 /nfs/dbraw/zinc/29/62/29/763296229.db2.gz HBXOSJCIBMFMDG-ZFWWWQNUSA-N 2 0 317.437 0.789 20 30 DCEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100141109 763347250 /nfs/dbraw/zinc/34/72/50/763347250.db2.gz LWCUBYODHKXGNZ-IAGOWNOFSA-N 2 0 321.465 0.827 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001090489518 763420084 /nfs/dbraw/zinc/42/00/84/763420084.db2.gz NFSFSAIMPDUQRP-GJZGRUSLSA-N 2 0 307.438 0.436 20 30 DCEDRP C#CCC[NH2+]C1CC(CNC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001100686773 763724683 /nfs/dbraw/zinc/72/46/83/763724683.db2.gz RHSNNUKOVTXSBU-GTPINHCMSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790773 764014745 /nfs/dbraw/zinc/01/47/45/764014745.db2.gz VKICSDKHSXJSJM-UKRRQHHQSA-N 2 0 322.453 0.257 20 30 DCEDRP COCC#CC[NH2+]CCNC(=O)c1ccccc1CC[NH+](C)C ZINC001131799131 764035531 /nfs/dbraw/zinc/03/55/31/764035531.db2.gz JFXVQCOKXKLTKG-UHFFFAOYSA-N 2 0 317.433 0.760 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC#CCOC)C[C@@]2(C)C1 ZINC001101418331 764088667 /nfs/dbraw/zinc/08/86/67/764088667.db2.gz MFCJNLVPKGIYPV-AEFFLSMTSA-N 2 0 321.465 0.758 20 30 DCEDRP C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C)c1 ZINC001133297698 764919545 /nfs/dbraw/zinc/91/95/45/764919545.db2.gz REYCBROAJQKVKQ-UHFFFAOYSA-N 2 0 316.405 0.264 20 30 DCEDRP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001103365234 765036097 /nfs/dbraw/zinc/03/60/97/765036097.db2.gz VBSMMWWWPZKWNS-ZACQAIPSSA-N 2 0 321.465 0.803 20 30 DCEDRP C=C(Br)C[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133853821 765172226 /nfs/dbraw/zinc/17/22/26/765172226.db2.gz QCGIMHKOSXMFET-JTQLQIEISA-N 2 0 304.232 0.943 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134606775 765599527 /nfs/dbraw/zinc/59/95/27/765599527.db2.gz ASJDFUIUDTWMJH-UONOGXRCSA-N 2 0 324.469 0.646 20 30 DCEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135652013 766023425 /nfs/dbraw/zinc/02/34/25/766023425.db2.gz SZNCOEKHPKQMRY-HUUCEWRRSA-N 2 0 319.453 0.955 20 30 DCEDRP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090572640 766326658 /nfs/dbraw/zinc/32/66/58/766326658.db2.gz HIZXXIRDAUKOHS-CABCVRRESA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2O)CC1 ZINC001090830800 766648646 /nfs/dbraw/zinc/64/86/46/766648646.db2.gz OWHQSIZRQLAZSQ-CVEARBPZSA-N 2 0 307.438 0.291 20 30 DCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001091069242 766885290 /nfs/dbraw/zinc/88/52/90/766885290.db2.gz SBUPAVHWXYKVFC-VMBOVVBDSA-N 2 0 319.449 0.747 20 30 DCEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001120492809 767040069 /nfs/dbraw/zinc/04/00/69/767040069.db2.gz PJBXWTNKPSPHJD-CYBMUJFWSA-N 2 0 307.350 0.489 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001120537286 767068166 /nfs/dbraw/zinc/06/81/66/767068166.db2.gz XLVSFBSPPOVJRR-HNNXBMFYSA-N 2 0 322.453 0.399 20 30 DCEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001093040983 768441270 /nfs/dbraw/zinc/44/12/70/768441270.db2.gz ZCNQPELUMHEFRJ-HUUCEWRRSA-N 2 0 319.453 0.928 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001149841698 768879328 /nfs/dbraw/zinc/87/93/28/768879328.db2.gz IWNGVIROXUHRDS-CVEARBPZSA-N 2 0 307.438 0.557 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606319 769137891 /nfs/dbraw/zinc/13/78/91/769137891.db2.gz FJCKPXDAKOASMH-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2oc(C)nc2C)CC1 ZINC001152324329 769527041 /nfs/dbraw/zinc/52/70/41/769527041.db2.gz QOIXMVWULZGBNA-UHFFFAOYSA-N 2 0 318.421 0.842 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC[C@@H]2CCOC2)CC1 ZINC001152330472 769528854 /nfs/dbraw/zinc/52/88/54/769528854.db2.gz OKKDKXWCXZEXPB-OAHLLOKOSA-N 2 0 307.438 0.464 20 30 DCEDRP C=CCOC1CCC([NH2+]CCN(CC[NH3+])N(O)N=O)CC1 ZINC001173315864 769595343 /nfs/dbraw/zinc/59/53/43/769595343.db2.gz ATBXLYOCBXMVMG-UHFFFAOYSA-N 2 0 301.391 0.638 20 30 DCEDRP C=CC[NH2+]CCN1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235206788 769778549 /nfs/dbraw/zinc/77/85/49/769778549.db2.gz WLIIBZWZNADJQB-UHFFFAOYSA-N 2 0 307.442 0.236 20 30 DCEDRP N#Cc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c(Cl)c1 ZINC001235872936 769957301 /nfs/dbraw/zinc/95/73/01/769957301.db2.gz CHJLRCJFLIXOIE-UHFFFAOYSA-N 2 0 321.856 0.796 20 30 DCEDRP C#CCCN1CCO[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001177124357 770327645 /nfs/dbraw/zinc/32/76/45/770327645.db2.gz JNUIYFAVOMAMRP-JKSUJKDBSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001156057696 770706180 /nfs/dbraw/zinc/70/61/80/770706180.db2.gz BASKZNIKNDTXSL-OAHLLOKOSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001179929405 771035829 /nfs/dbraw/zinc/03/58/29/771035829.db2.gz LUYOHORMBBELJY-GJZGRUSLSA-N 2 0 305.422 0.311 20 30 DCEDRP C#CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001151020656 771255906 /nfs/dbraw/zinc/25/59/06/771255906.db2.gz DDURSWYXVKCDEQ-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CCO)C2)CC1 ZINC001183496057 771657056 /nfs/dbraw/zinc/65/70/56/771657056.db2.gz FGASIYZEYZAAQG-CRAIPNDOSA-N 2 0 321.465 0.398 20 30 DCEDRP CN(C[C@H]1C[NH2+]CCO1)C(=O)C[C@@H]([NH3+])c1ccc(C#N)cc1 ZINC001157720467 771658570 /nfs/dbraw/zinc/65/85/70/771658570.db2.gz JTZOTMXYBVOWTB-HUUCEWRRSA-N 2 0 302.378 0.395 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001183738278 771695660 /nfs/dbraw/zinc/69/56/60/771695660.db2.gz LYCYPHBOEZYTSU-UONOGXRCSA-N 2 0 324.469 0.598 20 30 DCEDRP CC#CC[NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001158281912 771752157 /nfs/dbraw/zinc/75/21/57/771752157.db2.gz FVORADVRKADCMH-SJORKVTESA-N 2 0 321.465 0.853 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC#CCOC)C2)C1 ZINC001185090453 771859529 /nfs/dbraw/zinc/85/95/29/771859529.db2.gz MBPKRCGSYVKSDA-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185446619 771914980 /nfs/dbraw/zinc/91/49/80/771914980.db2.gz QMESBCRXMJOZLJ-UKRRQHHQSA-N 2 0 310.442 0.065 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001159846680 771967987 /nfs/dbraw/zinc/96/79/87/771967987.db2.gz QBENEQZGEUPXPO-HNNXBMFYSA-N 2 0 324.469 0.362 20 30 DCEDRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001160695821 772097344 /nfs/dbraw/zinc/09/73/44/772097344.db2.gz QVZJRQGEFXKYRF-CJNGLKHVSA-N 2 0 300.406 0.886 20 30 DCEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161246824 772190182 /nfs/dbraw/zinc/19/01/82/772190182.db2.gz PZAFLIVPBNNHAN-GOEBONIOSA-N 2 0 304.369 0.717 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106155 772273615 /nfs/dbraw/zinc/27/36/15/772273615.db2.gz ATNXSLDNBRTEGO-OAHLLOKOSA-N 2 0 322.453 0.355 20 30 DCEDRP COCC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001163821868 772578185 /nfs/dbraw/zinc/57/81/85/772578185.db2.gz RCOYYWCADVLVKY-HNNXBMFYSA-N 2 0 307.438 0.607 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001165776488 772761833 /nfs/dbraw/zinc/76/18/33/772761833.db2.gz JDLACVKUIRZPFO-OAHLLOKOSA-N 2 0 322.453 0.211 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001192342912 772907390 /nfs/dbraw/zinc/90/73/90/772907390.db2.gz LPKWGBABHPGPMF-HZPDHXFCSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CC[NH2+]CC1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001206930148 773138295 /nfs/dbraw/zinc/13/82/95/773138295.db2.gz VBWVRRFLXWRPLG-OAHLLOKOSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211284562 773789927 /nfs/dbraw/zinc/78/99/27/773789927.db2.gz MZOOMSXPVZIZGP-CABCVRRESA-N 2 0 322.453 0.045 20 30 DCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184898 774047160 /nfs/dbraw/zinc/04/71/60/774047160.db2.gz UBKJEOQMJSHJCW-MYPHYYIGSA-N 2 0 317.433 0.309 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2ccnc2)C1 ZINC001199397821 774098162 /nfs/dbraw/zinc/09/81/62/774098162.db2.gz CPVRVALEGWAYTD-HUUCEWRRSA-N 2 0 306.410 0.791 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCO)C2)CC1 ZINC001216842479 774142493 /nfs/dbraw/zinc/14/24/93/774142493.db2.gz DPVQASPTBNYSOY-GDBMZVCRSA-N 2 0 307.438 0.151 20 30 DCEDRP N#Cc1c(NC(=O)[C@@H]2C[NH2+]C[C@@H](O)C2)sc2c1CC[NH2+]C2 ZINC001218553275 774245741 /nfs/dbraw/zinc/24/57/41/774245741.db2.gz OQMMCYHNGHVWGU-IUCAKERBSA-N 2 0 306.391 0.174 20 30 DCEDRP CO[C@@H]1CC[NH2+][C@H](C(=O)Nc2sc3c(c2C#N)CC[NH2+]C3)C1 ZINC001218552458 774245779 /nfs/dbraw/zinc/24/57/79/774245779.db2.gz IZAVZCKNKCJNBR-SKDRFNHKSA-N 2 0 320.418 0.971 20 30 DCEDRP N#Cc1c(F)ccc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1F ZINC001218914810 774325735 /nfs/dbraw/zinc/32/57/35/774325735.db2.gz JFIXBWJHFCEYHZ-GFCCVEGCSA-N 2 0 323.347 0.525 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200547062 774366208 /nfs/dbraw/zinc/36/62/08/774366208.db2.gz LKBUFQJVSWAFGE-BZUAXINKSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CCCO1 ZINC001200721137 774398029 /nfs/dbraw/zinc/39/80/29/774398029.db2.gz HVTGQUOIZNOTGT-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CCCO1 ZINC001200806430 774411975 /nfs/dbraw/zinc/41/19/75/774411975.db2.gz PVLZZWRUDYGEKX-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCCO1 ZINC001200888160 774425004 /nfs/dbraw/zinc/42/50/04/774425004.db2.gz WFZGWBCYJVGGDU-MRXNPFEDSA-N 2 0 319.449 0.845 20 30 DCEDRP N#Cc1ccc(F)c(F)c1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001219314281 774444757 /nfs/dbraw/zinc/44/47/57/774444757.db2.gz CWLXGRFADLQWGE-VIFPVBQESA-N 2 0 300.334 0.794 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCO1 ZINC001201239891 774469202 /nfs/dbraw/zinc/46/92/02/774469202.db2.gz LYKIPCWKPBPGIE-HRCADAONSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCCO1 ZINC001201343672 774496657 /nfs/dbraw/zinc/49/66/57/774496657.db2.gz KCTCZFVQFZFXKM-JKSUJKDBSA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219724392 774591955 /nfs/dbraw/zinc/59/19/55/774591955.db2.gz JPIQJKVZFAYQLH-ZNMIVQPWSA-N 2 0 315.433 0.794 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001202206067 774615286 /nfs/dbraw/zinc/61/52/86/774615286.db2.gz AAMAGWWFNCUKPJ-UHFFFAOYSA-N 2 0 322.453 0.211 20 30 DCEDRP C[C@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)c1cccc(C#N)c1 ZINC001220047981 774680761 /nfs/dbraw/zinc/68/07/61/774680761.db2.gz HACHTXDPPVDXHL-LRDDRELGSA-N 2 0 315.421 0.486 20 30 DCEDRP COCC#CC[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001202496764 774729486 /nfs/dbraw/zinc/72/94/86/774729486.db2.gz XRFIVDZZHNAOFY-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP N#Cc1ccc(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc1F ZINC001220448978 774813502 /nfs/dbraw/zinc/81/35/02/774813502.db2.gz FAUCLOZOXVRZTB-OAHLLOKOSA-N 2 0 319.384 0.064 20 30 DCEDRP COCC#CC[NH2+]C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001202517984 774836353 /nfs/dbraw/zinc/83/63/53/774836353.db2.gz GRDYHAQUIUUXRN-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C=C[C@@H]1C[C@]1(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C(=O)OCC ZINC001220571301 774847574 /nfs/dbraw/zinc/84/75/74/774847574.db2.gz OFCYWRXTRFFWCG-DVOMOZLQSA-N 2 0 311.426 0.670 20 30 DCEDRP C#C[C@](C)([NH3+])C(=O)NCCCP(CCC[NH3+])c1ccccc1 ZINC001221271576 775050604 /nfs/dbraw/zinc/05/06/04/775050604.db2.gz GPHRSTOFLVBFBR-LBOXEOMUSA-N 2 0 319.389 1.000 20 30 DCEDRP C=CCOC(=O)N1CCC(CNC(=O)C[NH2+]CCC[NH3+])CC1 ZINC001221298106 775058357 /nfs/dbraw/zinc/05/83/57/775058357.db2.gz CVHJEDWDNNAJGL-UHFFFAOYSA-N 2 0 312.414 0.076 20 30 DCEDRP C=CC[C@@](C)(NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(=O)OC ZINC001221382733 775081245 /nfs/dbraw/zinc/08/12/45/775081245.db2.gz XTRLEQPCDWPAJT-IUODEOHRSA-N 2 0 309.410 0.485 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001225442129 775678531 /nfs/dbraw/zinc/67/85/31/775678531.db2.gz CTQJGDANNNHPKI-HNNXBMFYSA-N 2 0 307.438 0.416 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001226608457 775845719 /nfs/dbraw/zinc/84/57/19/775845719.db2.gz IIJRAEUWSADTCM-UKRRQHHQSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CC[N@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](CC#C)CC3)C2)C1 ZINC001041844972 777538571 /nfs/dbraw/zinc/53/85/71/777538571.db2.gz QMCYHZRJFFRUDH-IBGZPJMESA-N 2 0 313.445 0.889 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC#CCOC ZINC001278024464 945101955 /nfs/dbraw/zinc/10/19/55/945101955.db2.gz FCUNGBDGNOLUBC-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317655272 945148054 /nfs/dbraw/zinc/14/80/54/945148054.db2.gz PAEAVNQSQSRHAB-KGLIPLIRSA-N 2 0 310.442 0.067 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001317668502 945157290 /nfs/dbraw/zinc/15/72/90/945157290.db2.gz CWZYQMGVTZMGEO-KBPBESRZSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCC[NH+]1CCN(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001266287848 939050995 /nfs/dbraw/zinc/05/09/95/939050995.db2.gz IUDKBRGNPVYMEA-UHFFFAOYSA-N 2 0 320.481 0.925 20 30 DCEDRP COCC#CC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001266347936 939086663 /nfs/dbraw/zinc/08/66/63/939086663.db2.gz TXKDVKAHSPBJNW-CVEARBPZSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001267050959 939324104 /nfs/dbraw/zinc/32/41/04/939324104.db2.gz YGAZDLKLIWPEQI-AWEZNQCLSA-N 2 0 309.373 0.952 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001267216705 939390732 /nfs/dbraw/zinc/39/07/32/939390732.db2.gz QGVIEUKLYNHNCY-RDJZCZTQSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001267232175 939396685 /nfs/dbraw/zinc/39/66/85/939396685.db2.gz BEPBYIFBPMOABH-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267657716 939615932 /nfs/dbraw/zinc/61/59/32/939615932.db2.gz CTBZDTBLMDLYQR-HUUCEWRRSA-N 2 0 324.469 0.409 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267685019 939624866 /nfs/dbraw/zinc/62/48/66/939624866.db2.gz WWOLQZOOCKPIRD-IRXDYDNUSA-N 2 0 321.465 0.758 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCO)[C@H](C)C2)CC1 ZINC001268142910 939958212 /nfs/dbraw/zinc/95/82/12/939958212.db2.gz SBSSBNKRAGPSPL-WBVHZDCISA-N 2 0 321.465 0.541 20 30 DCEDRP C#CC[NH2+]C[C@@](C)(NC(=O)c1cnn(CC[NH+](C)C)c1)C1CC1 ZINC001481944502 940191124 /nfs/dbraw/zinc/19/11/24/940191124.db2.gz MBNRPKUPVBXASW-QGZVFWFLSA-N 2 0 317.437 0.566 20 30 DCEDRP CC#CC[NH2+]C[C@](C)(NC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001481948391 940192775 /nfs/dbraw/zinc/19/27/75/940192775.db2.gz OJDSHUOWNQOUMG-SFHVURJKSA-N 2 0 321.465 0.995 20 30 DCEDRP CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC#CCOC ZINC001269417395 940703307 /nfs/dbraw/zinc/70/33/07/940703307.db2.gz HFIQEOCFLVVDDY-HOTGVXAUSA-N 2 0 309.454 0.995 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001269718822 940763059 /nfs/dbraw/zinc/76/30/59/940763059.db2.gz DRZJDLTVXVVFGQ-WMZOPIPTSA-N 2 0 319.449 0.655 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001270497060 940911005 /nfs/dbraw/zinc/91/10/05/940911005.db2.gz SSOAQAJVZCUQDW-ILXRZTDVSA-N 2 0 324.469 0.361 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@]2(C)CCC[N@H+](CCO)C2)CC1 ZINC001271017245 941241917 /nfs/dbraw/zinc/24/19/17/941241917.db2.gz NJPMSTDTQHEIHR-SFHVURJKSA-N 2 0 321.465 0.542 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001271428452 941373413 /nfs/dbraw/zinc/37/34/13/941373413.db2.gz WDFIUDWEFGCPJQ-UONOGXRCSA-N 2 0 310.442 0.067 20 30 DCEDRP C=C(C)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001271957919 941491335 /nfs/dbraw/zinc/49/13/35/941491335.db2.gz KNIBWFIWQZAAMA-FUHWJXTLSA-N 2 0 321.465 0.847 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC001482567077 941507923 /nfs/dbraw/zinc/50/79/23/941507923.db2.gz ZEVFQEMBTIWZFJ-CVEARBPZSA-N 2 0 311.470 0.953 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001482661140 941613029 /nfs/dbraw/zinc/61/30/29/941613029.db2.gz CMWGAYDCACAVBB-IRXDYDNUSA-N 2 0 321.465 0.901 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483293995 942245420 /nfs/dbraw/zinc/24/54/20/942245420.db2.gz PWHRWDHGOQAEAH-GJZGRUSLSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2cnns2)CC1 ZINC001483296436 942248907 /nfs/dbraw/zinc/24/89/07/942248907.db2.gz ILWRIMTXKJTCOM-LBPRGKRZSA-N 2 0 321.450 0.478 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001483444273 942361624 /nfs/dbraw/zinc/36/16/24/942361624.db2.gz SFTSXVVFVWOOAY-RDJZCZTQSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001483466113 942372651 /nfs/dbraw/zinc/37/26/51/942372651.db2.gz YLTCJQKOFUOAHV-OAHLLOKOSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](CC[NH2+]CCCO)C2)CC1 ZINC001272653862 942890672 /nfs/dbraw/zinc/89/06/72/942890672.db2.gz UBJNXXCXJSFCMX-INIZCTEOSA-N 2 0 321.465 0.542 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001484042956 943113817 /nfs/dbraw/zinc/11/38/17/943113817.db2.gz CXDIANDTNWXJRG-AEFFLSMTSA-N 2 0 319.449 0.559 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001484573292 943455723 /nfs/dbraw/zinc/45/57/23/943455723.db2.gz LYIGFYCSOPSMRU-QAQDUYKDSA-N 2 0 321.465 0.997 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001484721406 943539488 /nfs/dbraw/zinc/53/94/88/943539488.db2.gz GWKSUIQULSKQBM-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001485022210 943653130 /nfs/dbraw/zinc/65/31/30/943653130.db2.gz YKTGDUQWLLHOIS-JKSUJKDBSA-N 2 0 321.465 0.683 20 30 DCEDRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC#CCOC)C2)C1 ZINC001491046792 943723328 /nfs/dbraw/zinc/72/33/28/943723328.db2.gz BLLVJFBCHNUOOO-YESZJQIVSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001491180112 943815938 /nfs/dbraw/zinc/81/59/38/943815938.db2.gz PBVOPDZVMKQDDG-IAGOWNOFSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@H]([C@H](C)[NH2+]CC=C)C2)CC1 ZINC001485650150 944053317 /nfs/dbraw/zinc/05/33/17/944053317.db2.gz JPFSAOVPUBGRFE-RDJZCZTQSA-N 2 0 319.449 0.723 20 30 DCEDRP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001485833580 944262272 /nfs/dbraw/zinc/26/22/72/944262272.db2.gz JPKXVZASUISYFP-GDBMZVCRSA-N 2 0 307.438 0.415 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC#CCOC ZINC001485883423 944380585 /nfs/dbraw/zinc/38/05/85/944380585.db2.gz SQXRVEMNYNHHGE-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH2+]CCC[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001277216963 944710018 /nfs/dbraw/zinc/71/00/18/944710018.db2.gz HFRHXSQSABRJEE-HNNXBMFYSA-N 2 0 309.454 0.853 20 30 DCEDRP CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CC#CCOC)C2)C1)[NH+](C)C ZINC001277525203 944862417 /nfs/dbraw/zinc/86/24/17/944862417.db2.gz QQMXINVJGPWPMN-SJLPKXTDSA-N 2 0 321.465 0.901 20 30 DCEDRP CC#CC[NH2+]C1CC(N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001486462487 944909020 /nfs/dbraw/zinc/90/90/20/944909020.db2.gz PIPHEPYGBUTBHS-UHFFFAOYSA-N 2 0 317.437 0.661 20 30 DCEDRP N#CCC1CN(C(=O)[C@]23C[C@H]2CC[N@@H+]3CC2CC[NH2+]CC2)C1 ZINC001277821473 944994580 /nfs/dbraw/zinc/99/45/80/944994580.db2.gz JAFXEUUOYROTKU-WBVHZDCISA-N 2 0 302.422 0.822 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001317525232 945024839 /nfs/dbraw/zinc/02/48/39/945024839.db2.gz FMDGQYRAGKFTGC-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCOC[C@H](O)C[NH+]1CCN(CC[NH+](CC=C)CC=C)CC1 ZINC001251858467 945800808 /nfs/dbraw/zinc/80/08/08/945800808.db2.gz YYPRSRQJDJUORS-GOSISDBHSA-N 2 0 321.465 0.289 20 30 DCEDRP C#CCOC[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001251885248 945808266 /nfs/dbraw/zinc/80/82/66/945808266.db2.gz QSHINYAWXATION-GOSISDBHSA-N 2 0 317.433 0.539 20 30 DCEDRP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001321400624 946312945 /nfs/dbraw/zinc/31/29/45/946312945.db2.gz CXOKLQHJCBYWQR-SCOBNMCVSA-N 2 0 315.845 0.969 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001278777356 946364067 /nfs/dbraw/zinc/36/40/67/946364067.db2.gz YRNBONUBCHVTQP-NVXWUHKLSA-N 2 0 307.438 0.436 20 30 DCEDRP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001278782559 946385249 /nfs/dbraw/zinc/38/52/49/946385249.db2.gz YWBBDOITECYKJE-UXLLHSPISA-N 2 0 307.438 0.293 20 30 DCEDRP C=C(C)CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001278786876 946400172 /nfs/dbraw/zinc/40/01/72/946400172.db2.gz KSOCTSPGZUIKTC-NVXWUHKLSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CCO1 ZINC001273277670 946415407 /nfs/dbraw/zinc/41/54/07/946415407.db2.gz WWFNXVZRNMEZKL-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001273298026 946446306 /nfs/dbraw/zinc/44/63/06/946446306.db2.gz HDJVPRADKTXJFO-UONOGXRCSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CC[N@H+]1CC[C@@](O)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001278828825 946452616 /nfs/dbraw/zinc/45/26/16/946452616.db2.gz QVPCYRWUNPIIPO-QGZVFWFLSA-N 2 0 307.438 0.439 20 30 DCEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001278840693 946466053 /nfs/dbraw/zinc/46/60/53/946466053.db2.gz ZDDGLMLVPYLOAD-MRXNPFEDSA-N 2 0 305.422 0.957 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001279005300 946723835 /nfs/dbraw/zinc/72/38/35/946723835.db2.gz AIWZIEFBSPWHTB-JKSUJKDBSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCCO)C2CC2)CC1 ZINC001323112494 946937899 /nfs/dbraw/zinc/93/78/99/946937899.db2.gz IFKOPESXCJQDSA-MRXNPFEDSA-N 2 0 307.438 0.198 20 30 DCEDRP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001325109698 947657854 /nfs/dbraw/zinc/65/78/54/947657854.db2.gz GSDCLDSQPBYXHE-AEFFLSMTSA-N 2 0 321.465 0.683 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC#CCOC)C1 ZINC001325456310 947801062 /nfs/dbraw/zinc/80/10/62/947801062.db2.gz NWEKFKIAESVZNE-CVEARBPZSA-N 2 0 309.454 0.805 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001326053845 948034906 /nfs/dbraw/zinc/03/49/06/948034906.db2.gz ZSAGILJDDQHILY-MRXNPFEDSA-N 2 0 309.454 0.541 20 30 DCEDRP CC#CC[N@H+](C)CCCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001327277124 948448212 /nfs/dbraw/zinc/44/82/12/948448212.db2.gz LVBMIHZZPJLXAO-UHFFFAOYSA-N 2 0 309.454 0.901 20 30 DCEDRP C#CCC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCOCC1 ZINC001327634324 948578545 /nfs/dbraw/zinc/57/85/45/948578545.db2.gz FFDDBMYNXGCJRP-JKSUJKDBSA-N 2 0 321.465 0.995 20 30 DCEDRP C=C[C@@H](O)C[N@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001273880839 948651336 /nfs/dbraw/zinc/65/13/36/948651336.db2.gz GPLJYHNWRRBCLR-NVXWUHKLSA-N 2 0 309.454 0.800 20 30 DCEDRP C=CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001264636170 949051021 /nfs/dbraw/zinc/05/10/21/949051021.db2.gz OVXRCWZNTRSCMY-INIZCTEOSA-N 2 0 321.465 0.944 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)C[C@H]2CCOC2)CC1 ZINC001265073183 949272119 /nfs/dbraw/zinc/27/21/19/949272119.db2.gz SVUYOPRPXARJRD-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)COC)C1 ZINC001488834080 949297612 /nfs/dbraw/zinc/29/76/12/949297612.db2.gz FPIUQWSFGHRNAJ-VGWMRTNUSA-N 2 0 307.438 0.603 20 30 DCEDRP C=CCC[NH+]1CCN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001265265176 949516695 /nfs/dbraw/zinc/51/66/95/949516695.db2.gz RQEJWCPDQKKVGL-INIZCTEOSA-N 2 0 310.486 0.883 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001265265069 949517239 /nfs/dbraw/zinc/51/72/39/949517239.db2.gz OIWWVMVPUPTKGW-MRXNPFEDSA-N 2 0 308.470 0.330 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001329500682 949643369 /nfs/dbraw/zinc/64/33/69/949643369.db2.gz KYYJXPXYCIFSBZ-HNNXBMFYSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCOCC)C2)CC1 ZINC001265508331 949732111 /nfs/dbraw/zinc/73/21/11/949732111.db2.gz CPEFBJNIGBQTPE-WKILWMFISA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001265504752 949734495 /nfs/dbraw/zinc/73/44/95/949734495.db2.gz HOGNXAOQBYPQCF-ZQIUZPCESA-N 2 0 320.437 0.011 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001265597521 949803500 /nfs/dbraw/zinc/80/35/00/949803500.db2.gz ZWOLTBIIFLOHFD-JKSUJKDBSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CC[NH2+]CC(=O)NCCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001343782821 953374931 /nfs/dbraw/zinc/37/49/31/953374931.db2.gz FKVVBPADIGASQK-UHFFFAOYSA-N 2 0 314.433 0.320 20 30 DCEDRP C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001282403901 953568932 /nfs/dbraw/zinc/56/89/32/953568932.db2.gz YOJRFJBWDJDEMI-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCNC(=O)CN(C)[C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001282403903 953570417 /nfs/dbraw/zinc/57/04/17/953570417.db2.gz YOJRFJBWDJDEMI-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP C[NH+](C)CCCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC001346177653 953815478 /nfs/dbraw/zinc/81/54/78/953815478.db2.gz CEJBMOPRXLYMJJ-UHFFFAOYSA-N 2 0 310.423 0.658 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001283111411 954019747 /nfs/dbraw/zinc/01/97/47/954019747.db2.gz ROHKSGQYFPTUIM-DSPLQEQRSA-N 2 0 321.465 0.993 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001316626211 954272491 /nfs/dbraw/zinc/27/24/91/954272491.db2.gz ZNPSBVWVCXFVTQ-HRCADAONSA-N 2 0 307.438 0.462 20 30 DCEDRP CC[N@H+](C)CCC(=O)NC[C@@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001283818509 954631445 /nfs/dbraw/zinc/63/14/45/954631445.db2.gz QDGPIVKVJWPHIH-KRWDZBQOSA-N 2 0 317.433 0.447 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001284446202 955102135 /nfs/dbraw/zinc/10/21/35/955102135.db2.gz COCSJXHUOWZXJG-JKSUJKDBSA-N 2 0 309.454 0.683 20 30 DCEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)CNCC[NH3+])CC2)c1 ZINC001357812310 957385374 /nfs/dbraw/zinc/38/53/74/957385374.db2.gz ZOCQDMIFPPMBBJ-UHFFFAOYSA-N 2 0 315.421 0.187 20 30 DCEDRP [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)C#CC1CC[NH2+]CC1)CC2 ZINC001358224966 957437671 /nfs/dbraw/zinc/43/76/71/957437671.db2.gz VMKAOMLPTWNGNU-OAHLLOKOSA-N 2 0 305.422 0.346 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]C[C@H]2CCOC2)CC1 ZINC001491682055 959043991 /nfs/dbraw/zinc/04/39/91/959043991.db2.gz IGHUXNIESQPPSL-LSDHHAIUSA-N 2 0 307.438 0.462 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001491755783 959187894 /nfs/dbraw/zinc/18/78/94/959187894.db2.gz OMJRLUBVXTVQGF-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001379791687 962042154 /nfs/dbraw/zinc/04/21/54/962042154.db2.gz NNZKVLGHEUHFET-UONOGXRCSA-N 2 0 315.845 0.490 20 30 DCEDRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001379281653 962535311 /nfs/dbraw/zinc/53/53/11/962535311.db2.gz FEDFWGGWYPMJEV-NWDGAFQWSA-N 2 0 322.434 0.138 20 30 DCEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001371176210 966782803 /nfs/dbraw/zinc/78/28/03/966782803.db2.gz FWLWDNBFCHCBLZ-LBPRGKRZSA-N 2 0 313.833 0.905 20 30 DCEDRP C=CCN1CC[C@H](N(C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001492816578 992544866 /nfs/dbraw/zinc/54/48/66/992544866.db2.gz IPPHDQRKFKXQHM-CABCVRRESA-N 2 0 322.453 0.163 20 30 DCEDRP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001507035150 1015908811 /nfs/dbraw/zinc/90/88/11/1015908811.db2.gz FZDBRQUWVCKYGN-ZBFHGGJFSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001502580465 1015983001 /nfs/dbraw/zinc/98/30/01/1015983001.db2.gz NDGPWJAQYYAUOZ-SFHVURJKSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001502598505 1015991135 /nfs/dbraw/zinc/99/11/35/1015991135.db2.gz ZDJAHNDGMFNFKS-QGZVFWFLSA-N 2 0 309.454 0.685 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001507155033 1016038433 /nfs/dbraw/zinc/03/84/33/1016038433.db2.gz PXLAEUDCDMZNCY-UONOGXRCSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CCC[C@H](C)O)CC1 ZINC001507163272 1016045972 /nfs/dbraw/zinc/04/59/72/1016045972.db2.gz UERASDQJZQIDTN-CVEARBPZSA-N 2 0 323.481 0.929 20 30 DCEDRP C#CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001507207150 1016124987 /nfs/dbraw/zinc/12/49/87/1016124987.db2.gz HBMWOEQJDGUKNO-GOEBONIOSA-N 2 0 307.438 0.483 20 30 DCEDRP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC001467727838 1016193802 /nfs/dbraw/zinc/19/38/02/1016193802.db2.gz SHDQVKHGISGMGV-HNNXBMFYSA-N 2 0 324.469 0.363 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001402610371 1001439922 /nfs/dbraw/zinc/43/99/22/1001439922.db2.gz HZEXHOBZVUEDLU-CYBMUJFWSA-N 2 0 303.834 0.896 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC#CC)CC1 ZINC001507726063 1016550799 /nfs/dbraw/zinc/55/07/99/1016550799.db2.gz DEBSPWLUEDRJIF-KRWDZBQOSA-N 2 0 319.449 0.106 20 30 DCEDRP C#CCC[NH2+]C1CC(N(C)C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001508117835 1016662373 /nfs/dbraw/zinc/66/23/73/1016662373.db2.gz IKGLVCUXJLJSGC-UHFFFAOYSA-N 2 0 321.465 0.947 20 30 DCEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001442041721 1008856169 /nfs/dbraw/zinc/85/61/69/1008856169.db2.gz BMBPCJKQMIVUEG-YPMHNXCESA-N 2 0 303.834 0.802 20 30 DCEDRP C#CCC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001479653011 1017631290 /nfs/dbraw/zinc/63/12/90/1017631290.db2.gz ZLMVFGKBQQWFFG-JKSUJKDBSA-N 2 0 307.438 0.389 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001479770359 1017726171 /nfs/dbraw/zinc/72/61/71/1017726171.db2.gz CHRQDGLDEFSBBR-QLFBSQMISA-N 2 0 324.469 0.455 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001499855478 1018105815 /nfs/dbraw/zinc/10/58/15/1018105815.db2.gz WKBVHEDGURCJKL-CVEARBPZSA-N 2 0 319.449 0.701 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001499857821 1018106951 /nfs/dbraw/zinc/10/69/51/1018106951.db2.gz NYZVZRTXHCKXNJ-HUUCEWRRSA-N 2 0 322.453 0.045 20 30 DCEDRP C#CCN(C(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CCOC)CC1 ZINC001500054599 1018191003 /nfs/dbraw/zinc/19/10/03/1018191003.db2.gz RJCUOCAPCUJNEN-UHFFFAOYSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001500057539 1018193929 /nfs/dbraw/zinc/19/39/29/1018193929.db2.gz ITABNIWYIVSWAK-LSDHHAIUSA-N 2 0 307.438 0.245 20 30 DCEDRP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001480088233 1018194155 /nfs/dbraw/zinc/19/41/55/1018194155.db2.gz WDEZXQUKRMISBK-SJORKVTESA-N 2 0 321.465 0.758 20 30 DCEDRP COCC#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001495233850 1018413213 /nfs/dbraw/zinc/41/32/13/1018413213.db2.gz MZYJPLDMFMCFDF-RDJZCZTQSA-N 2 0 307.438 0.605 20 30 DCEDRP COCC#CC[NH+]1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001500444762 1018454898 /nfs/dbraw/zinc/45/48/98/1018454898.db2.gz VIKACWDWSNMCFN-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480388430 1018485611 /nfs/dbraw/zinc/48/56/11/1018485611.db2.gz XSXQUBHGJSNYOZ-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCC[NH+]1CC[C@@](O)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001500686802 1018580157 /nfs/dbraw/zinc/58/01/57/1018580157.db2.gz LVKZWKUNHDEQOF-DOTOQJQBSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001500736628 1018618726 /nfs/dbraw/zinc/61/87/26/1018618726.db2.gz VWZYULLTRAHNSI-SJLPKXTDSA-N 2 0 321.465 0.826 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001480538074 1018637312 /nfs/dbraw/zinc/63/73/12/1018637312.db2.gz STZITNYTMWKZQJ-UONOGXRCSA-N 2 0 324.469 0.197 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2ccnn2C)CC1 ZINC001480596501 1018693870 /nfs/dbraw/zinc/69/38/70/1018693870.db2.gz KPMPOVCWABFDMI-CQSZACIVSA-N 2 0 317.437 0.360 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001480674359 1018764848 /nfs/dbraw/zinc/76/48/48/1018764848.db2.gz OLYYLAIWQDTYIE-HNNXBMFYSA-N 2 0 305.422 0.170 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001480679112 1018767561 /nfs/dbraw/zinc/76/75/61/1018767561.db2.gz GSLBSMQRKOESDS-JKSUJKDBSA-N 2 0 307.438 0.416 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CC#CCOC)C1 ZINC001480740022 1018844574 /nfs/dbraw/zinc/84/45/74/1018844574.db2.gz UPDBVRKWSKMCPN-INIZCTEOSA-N 2 0 309.454 0.901 20 30 DCEDRP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001501331558 1019064033 /nfs/dbraw/zinc/06/40/33/1019064033.db2.gz KSUGJRBYXIXISM-FUHWJXTLSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]CCOC)C(C)C)CC1 ZINC001496638053 1019473635 /nfs/dbraw/zinc/47/36/35/1019473635.db2.gz ADRQZXLCKBUPEU-INIZCTEOSA-N 2 0 309.454 0.708 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001501895075 1019543646 /nfs/dbraw/zinc/54/36/46/1019543646.db2.gz VOQOKNVNDDBGIW-MRXNPFEDSA-N 2 0 319.449 0.703 20 30 DCEDRP COCC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001493726192 1019661758 /nfs/dbraw/zinc/66/17/58/1019661758.db2.gz QZHPPXRREVOAEZ-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP C[N@@H+]1CC[C@@](O)(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262317940 529800050 /nfs/dbraw/zinc/80/00/50/529800050.db2.gz RAGKXLPNLSSTMI-XJKSGUPXSA-N 2 0 304.394 0.481 20 30 DCEDRP C[NH+]1CCC(O)(CNC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000329504565 530050807 /nfs/dbraw/zinc/05/08/07/530050807.db2.gz IIUNWGZJKIQLJK-UHFFFAOYSA-N 2 0 310.442 0.574 20 30 DCEDRP C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264114854 530056969 /nfs/dbraw/zinc/05/69/69/530056969.db2.gz SCGIWEGFIPFBKL-CYBMUJFWSA-N 2 0 303.414 0.008 20 30 DCEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(NCC(=O)N(C)C)=[NH+]C1CC1 ZINC000262348613 238172885 /nfs/dbraw/zinc/17/28/85/238172885.db2.gz YJDNGJBBQKSEMY-BXUZGUMPSA-N 2 0 307.442 0.255 20 30 DCEDRP C[NH+](C)CCOc1cc(CNC(=[NH2+])N2CCOCC2)ccn1 ZINC000270578580 238276258 /nfs/dbraw/zinc/27/62/58/238276258.db2.gz PFWFHRGVEDPBHX-UHFFFAOYSA-N 2 0 307.398 0.169 20 30 DCEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264323882 396271309 /nfs/dbraw/zinc/27/13/09/396271309.db2.gz YHLOBJKLHAVMLP-CQSZACIVSA-N 2 0 319.457 0.644 20 30 DCEDRP CN1CC[NH+]=C1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000284914315 415603444 /nfs/dbraw/zinc/60/34/44/415603444.db2.gz BFZNRBOLPNDGMG-UHFFFAOYSA-N 3 0 302.426 0.485 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339438178 416159134 /nfs/dbraw/zinc/15/91/34/416159134.db2.gz ASIXAIRLDWTZGK-XJKSGUPXSA-N 2 0 308.426 0.804 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](c3cccnc3)C2)CC1 ZINC000491667708 416612059 /nfs/dbraw/zinc/61/20/59/416612059.db2.gz VJQXCDHSEULWIH-QGZVFWFLSA-N 2 0 312.417 0.648 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cccn2C)CC1 ZINC000490851766 416577433 /nfs/dbraw/zinc/57/74/33/416577433.db2.gz ICRNQUVRCMANDP-QGZVFWFLSA-N 2 0 314.433 0.939 20 30 DCEDRP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000491785101 416629448 /nfs/dbraw/zinc/62/94/48/416629448.db2.gz ROZYVHXRNUKZON-HNNXBMFYSA-N 2 0 324.469 0.428 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369398078 416769571 /nfs/dbraw/zinc/76/95/71/416769571.db2.gz LMHLGLRQAZAWQX-HOTGVXAUSA-N 2 0 308.470 0.777 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000636743103 416851400 /nfs/dbraw/zinc/85/14/00/416851400.db2.gz VOYMNVVIMGNXIY-OAHLLOKOSA-N 2 0 310.442 0.393 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000576169207 417586354 /nfs/dbraw/zinc/58/63/54/417586354.db2.gz BIHHGLJJLIJFLW-NEPJUHHUSA-N 2 0 305.382 0.610 20 30 DCEDRP C=CC[C@@]1(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCC[NH2+]1 ZINC000662705827 417862216 /nfs/dbraw/zinc/86/22/16/417862216.db2.gz RGGOZRRKYYGTIG-YOEHRIQHSA-N 2 0 322.453 0.388 20 30 DCEDRP C=CC[C@@]1(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CCC[NH2+]1 ZINC000662756242 417891489 /nfs/dbraw/zinc/89/14/89/417891489.db2.gz ILGVYDXRQHVGNJ-WMZOPIPTSA-N 2 0 320.481 0.923 20 30 DCEDRP C=CC[C@@]1(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CCC[NH2+]1 ZINC000662758893 417894033 /nfs/dbraw/zinc/89/40/33/417894033.db2.gz VASVDNDCAKYQEN-RDJZCZTQSA-N 2 0 308.470 0.684 20 30 DCEDRP C[C@H](C[NH3+])NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000418511386 269870569 /nfs/dbraw/zinc/87/05/69/269870569.db2.gz JJJQYYJNCAYDOQ-CYBMUJFWSA-N 2 0 303.410 0.979 20 30 DCEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261870235 278168005 /nfs/dbraw/zinc/16/80/05/278168005.db2.gz VFRTVYUWGCIPMS-KFWWJZLASA-N 2 0 323.485 0.355 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)NCCN1CCOCC1(C)C ZINC000491761218 333193890 /nfs/dbraw/zinc/19/38/90/333193890.db2.gz VDGUOLKDISQVMQ-UHFFFAOYSA-N 2 0 310.442 0.352 20 30 DCEDRP C[C@H](C[NH+]1CCOCC1)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000341902074 334493807 /nfs/dbraw/zinc/49/38/07/334493807.db2.gz UCWMWGTWBRHWBQ-OAHLLOKOSA-N 2 0 310.442 0.649 20 30 DCEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000424054921 337730850 /nfs/dbraw/zinc/73/08/50/337730850.db2.gz CHRZINZPCOZONJ-ZDUSSCGKSA-N 2 0 302.382 0.451 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000304013942 340358693 /nfs/dbraw/zinc/35/86/93/340358693.db2.gz VXYQYBZNYJJRPV-QGZVFWFLSA-N 2 0 321.465 0.541 20 30 DCEDRP COc1ccccc1CNC(=[NH2+])NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000170913136 534075948 /nfs/dbraw/zinc/07/59/48/534075948.db2.gz CQYJUCFVFXNCLO-CQSZACIVSA-N 2 0 319.453 0.735 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000343774408 517333787 /nfs/dbraw/zinc/33/37/87/517333787.db2.gz XFNHXADRSJRDIL-ZFWWWQNUSA-N 2 0 322.453 0.352 20 30 DCEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CC[C@@H](CC(C)C)C1 ZINC000261663435 526373780 /nfs/dbraw/zinc/37/37/80/526373780.db2.gz GKFZGDPDIYZNRO-JKSUJKDBSA-N 2 0 307.486 0.930 20 30 DCEDRP C=C(C)CNC(=[NH2+])NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000264079307 526575535 /nfs/dbraw/zinc/57/55/35/526575535.db2.gz IDPSANQDFRJDKQ-UHFFFAOYSA-N 2 0 302.426 0.814 20 30 DCEDRP CCNC(=[NH2+])NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000267416794 528942118 /nfs/dbraw/zinc/94/21/18/528942118.db2.gz JKGAIEKPWVRXEY-OAHLLOKOSA-N 2 0 317.437 0.808 20 30 DCEDRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329466341 546049825 /nfs/dbraw/zinc/04/98/25/546049825.db2.gz RXXYZNIMOCUBSI-ZIAGYGMSSA-N 2 0 309.458 0.363 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001665687133 1174551347 /nfs/dbraw/zinc/55/13/47/1174551347.db2.gz XNJHALMVTWCATK-HZPDHXFCSA-N 2 0 307.438 0.511 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001027889562 660888963 /nfs/dbraw/zinc/88/89/63/660888963.db2.gz CGWBHYQKISDXHN-OAHLLOKOSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N2CCOCC2)C1 ZINC000980454774 660945518 /nfs/dbraw/zinc/94/55/18/660945518.db2.gz YVXSJLCINMIURG-HZPDHXFCSA-N 2 0 305.422 0.263 20 30 DCEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)N2CCOCC2)C1 ZINC000970764013 657893895 /nfs/dbraw/zinc/89/38/95/657893895.db2.gz XFWGAGAWERXUGR-HZPDHXFCSA-N 2 0 307.438 0.864 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891920805 657918237 /nfs/dbraw/zinc/91/82/37/657918237.db2.gz DKRICCJJKKGHAZ-OAHLLOKOSA-N 2 0 322.453 0.399 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC000939291191 665545221 /nfs/dbraw/zinc/54/52/21/665545221.db2.gz BYAYNJOWTKMHRC-UKRRQHHQSA-N 2 0 303.410 0.128 20 30 DCEDRP CC(C)NC(=[NH2+])NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000104181851 658188240 /nfs/dbraw/zinc/18/82/40/658188240.db2.gz QYMDNRVCMBUTCH-UHFFFAOYSA-N 2 0 305.426 0.791 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001023762329 658217822 /nfs/dbraw/zinc/21/78/22/658217822.db2.gz WQTMMXHDCZMGHN-INIZCTEOSA-N 2 0 321.465 0.542 20 30 DCEDRP C#CCCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC000972437412 658768844 /nfs/dbraw/zinc/76/88/44/658768844.db2.gz KBNBIPROOHMQJQ-AEFFLSMTSA-N 2 0 319.449 0.797 20 30 DCEDRP C#CC[NH2+]C1CCC(NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001026575458 659397017 /nfs/dbraw/zinc/39/70/17/659397017.db2.gz SPMLQFHEBPKBQL-UHFFFAOYSA-N 2 0 317.437 0.709 20 30 DCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC001025781312 659555601 /nfs/dbraw/zinc/55/56/01/659555601.db2.gz CDMUXYWYCTYLLL-DMRKSPOLSA-N 2 0 301.434 0.931 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025798621 659564600 /nfs/dbraw/zinc/56/46/00/659564600.db2.gz ATDLJUXFLGAFNF-AALSBFMBSA-N 2 0 305.422 0.472 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CC[NH+](CC)CC1 ZINC000104168500 659614551 /nfs/dbraw/zinc/61/45/51/659614551.db2.gz GZJRVJBNLAMFHG-OAHLLOKOSA-N 3 0 310.490 0.013 20 30 DCEDRP C#CCN1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000977300016 659636190 /nfs/dbraw/zinc/63/61/90/659636190.db2.gz DGIBKXMSAHJIBU-HNNXBMFYSA-N 2 0 317.437 0.518 20 30 DCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001028857172 661852867 /nfs/dbraw/zinc/85/28/67/661852867.db2.gz VAQFDHYUGYOVEG-CQSZACIVSA-N 2 0 303.410 0.130 20 30 DCEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NC[C@]1(C)CCCS1 ZINC000261957588 661927110 /nfs/dbraw/zinc/92/71/10/661927110.db2.gz JEELBQYVZDGFCA-HIFRSBDPSA-N 2 0 311.499 0.437 20 30 DCEDRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C1 ZINC000902358499 663410696 /nfs/dbraw/zinc/41/06/96/663410696.db2.gz CSIOIGUDSQABJV-TZFAWSOVSA-N 2 0 306.410 0.881 20 30 DCEDRP C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000941345267 665978415 /nfs/dbraw/zinc/97/84/15/665978415.db2.gz QJXPONVKEQYTDW-KRWDZBQOSA-N 2 0 320.481 0.875 20 30 DCEDRP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCC#CC[NH+](C)C)cn1 ZINC000913523647 664334987 /nfs/dbraw/zinc/33/49/87/664334987.db2.gz HKPFTNIYPKKGBB-CVEARBPZSA-N 2 0 317.437 0.137 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000941566313 666023979 /nfs/dbraw/zinc/02/39/79/666023979.db2.gz BFBANEGZRBDLSE-MRXNPFEDSA-N 2 0 320.481 0.875 20 30 DCEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033083967 666497599 /nfs/dbraw/zinc/49/75/99/666497599.db2.gz CYXTUTCBXXLDCM-AWEZNQCLSA-N 2 0 305.426 0.777 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033278132 666659188 /nfs/dbraw/zinc/65/91/88/666659188.db2.gz MDNIVWLPLMVGHN-NDUQDZPOSA-N 2 0 319.449 0.958 20 30 DCEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+]3CCC[C@H]3CO1)CC2 ZINC001035712696 667402834 /nfs/dbraw/zinc/40/28/34/667402834.db2.gz KOWZSIIALPNQEH-JKSUJKDBSA-N 2 0 319.449 0.960 20 30 DCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001036243459 667432123 /nfs/dbraw/zinc/43/21/23/667432123.db2.gz ZGOHRKZUWLDULP-GDBMZVCRSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCO)[C@@H](C)C2)CC1 ZINC001036300592 667434895 /nfs/dbraw/zinc/43/48/95/667434895.db2.gz BSSOPMXSWYXHRX-HOCLYGCPSA-N 2 0 307.438 0.151 20 30 DCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CC[N@H+](CC3CC3)C1)C2 ZINC000884213028 667500363 /nfs/dbraw/zinc/50/03/63/667500363.db2.gz RUQLJGLTJGXACQ-GWUWNPHMSA-N 2 0 302.422 0.726 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CC[N@H+](CC3CC3)C1)C2 ZINC000884213029 667500710 /nfs/dbraw/zinc/50/07/10/667500710.db2.gz RUQLJGLTJGXACQ-GYMHETDLSA-N 2 0 302.422 0.726 20 30 DCEDRP C#CC[N@H+]1CCC[C@H](NC(=O)/C=C(\C)CN2CCOCC2)C1 ZINC000923557632 667563441 /nfs/dbraw/zinc/56/34/41/667563441.db2.gz MCFYUPAWYDBIJH-STTHAQSSSA-N 2 0 305.422 0.479 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000884643049 667581237 /nfs/dbraw/zinc/58/12/37/667581237.db2.gz VWSLAXYYAQFLHY-AWEZNQCLSA-N 2 0 308.426 0.093 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000884642230 667581320 /nfs/dbraw/zinc/58/13/20/667581320.db2.gz DMCQUVZLHOZHAC-QWHCGFSZSA-N 2 0 308.426 0.091 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000889775208 667996017 /nfs/dbraw/zinc/99/60/17/667996017.db2.gz UNMIXIAMIYIFNA-SJORKVTESA-N 2 0 319.449 0.389 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926153185 668379793 /nfs/dbraw/zinc/37/97/93/668379793.db2.gz MROBEAYWCTYFLZ-ANQUJSFKSA-N 2 0 309.454 0.700 20 30 DCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000876919967 668535935 /nfs/dbraw/zinc/53/59/35/668535935.db2.gz BYPSVDKDFFPRHN-HOCLYGCPSA-N 2 0 314.389 0.321 20 30 DCEDRP C=CC[C@@]1(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCC[NH2+]1 ZINC000877329099 668602503 /nfs/dbraw/zinc/60/25/03/668602503.db2.gz QUPLEKNGSIWSCG-YOEHRIQHSA-N 2 0 307.438 0.960 20 30 DCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H](CC#N)C(F)(F)F ZINC000932908478 669436032 /nfs/dbraw/zinc/43/60/32/669436032.db2.gz UERREXVIERNYTE-LLVKDONJSA-N 2 0 323.363 0.966 20 30 DCEDRP C=CC[NH+]1CCC2(CC1)CN(C(=O)C13CC[NH+](CC1)C3)CCO2 ZINC000949230137 670292100 /nfs/dbraw/zinc/29/21/00/670292100.db2.gz KITUADGSDCFLHQ-UHFFFAOYSA-N 2 0 319.449 0.962 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)CC1 ZINC000816750769 670857635 /nfs/dbraw/zinc/85/76/35/670857635.db2.gz RNSFVILNVZXJCK-SJORKVTESA-N 2 0 319.449 0.653 20 30 DCEDRP C#CCOc1ccccc1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000819071841 671092138 /nfs/dbraw/zinc/09/21/38/671092138.db2.gz BJUKTMFGJAITKY-QGZVFWFLSA-N 2 0 317.433 0.397 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000852794668 671161385 /nfs/dbraw/zinc/16/13/85/671161385.db2.gz RBMWQFJIBFPLQO-UHFFFAOYSA-N 2 0 313.405 0.433 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@H](C)NC(=O)C(=C)C[NH+](C)C ZINC000834376246 671757249 /nfs/dbraw/zinc/75/72/49/671757249.db2.gz NAKVJJDWPQDBSR-OKILXGFUSA-N 2 0 310.442 0.231 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(=O)NC)cc1 ZINC000303882681 685207974 /nfs/dbraw/zinc/20/79/74/685207974.db2.gz IHDNDNNPWKVTMU-OAHLLOKOSA-N 2 0 317.437 0.935 20 30 DCEDRP C[NH+]1CCC(CCNC(=[NH2+])NCCCN2CCOCC2)CC1 ZINC000303893162 685208425 /nfs/dbraw/zinc/20/84/25/685208425.db2.gz RSKMPOZQGNZICB-UHFFFAOYSA-N 2 0 311.474 0.345 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000303881355 685208577 /nfs/dbraw/zinc/20/85/77/685208577.db2.gz KVCLVIOTZNQSDE-JKSUJKDBSA-N 3 0 324.517 0.259 20 30 DCEDRP C[N@H+](CCNC(=[NH2+])NCCCN1CCOCC1)C1CCCC1 ZINC000304762814 685212263 /nfs/dbraw/zinc/21/22/63/685212263.db2.gz WAEXEFAFQOSVPD-UHFFFAOYSA-N 2 0 311.474 0.487 20 30 DCEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC000958176444 687407557 /nfs/dbraw/zinc/40/75/57/687407557.db2.gz SYZJUAXLZBEQDW-HZPDHXFCSA-N 2 0 321.465 0.847 20 30 DCEDRP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038535014 694109512 /nfs/dbraw/zinc/10/95/12/694109512.db2.gz JTFJOZLVLUTYFY-DGNOSDGRSA-N 2 0 305.422 0.616 20 30 DCEDRP C=CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000958199278 687428154 /nfs/dbraw/zinc/42/81/54/687428154.db2.gz GLKXRSUJSOEFSH-CJNGLKHVSA-N 2 0 314.389 0.851 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CC(C)C)C[C@H]2O)CC1 ZINC000958723223 687875603 /nfs/dbraw/zinc/87/56/03/687875603.db2.gz DPPBRMGCJYPISC-DLBZAZTESA-N 2 0 321.465 0.397 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCCC)C[C@@H]2O)CC1 ZINC000958724578 687877636 /nfs/dbraw/zinc/87/76/36/687877636.db2.gz QHCZXVXILMLHGD-SJORKVTESA-N 2 0 321.465 0.541 20 30 DCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000961353751 688599321 /nfs/dbraw/zinc/59/93/21/688599321.db2.gz CFVOEFUGHJVZMH-HZMVEIRTSA-N 2 0 301.434 0.931 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015322176 692262961 /nfs/dbraw/zinc/26/29/61/692262961.db2.gz ASEIBMLGLCKLMY-GWUWNPHMSA-N 2 0 305.422 0.616 20 30 DCEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015322985 692263398 /nfs/dbraw/zinc/26/33/98/692263398.db2.gz GLBHDFVLEKVBOB-GWUWNPHMSA-N 2 0 305.422 0.616 20 30 DCEDRP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001073433816 694726732 /nfs/dbraw/zinc/72/67/32/694726732.db2.gz OXBOICWHONZRIE-INIZCTEOSA-N 2 0 319.449 0.512 20 30 DCEDRP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001073614072 694752357 /nfs/dbraw/zinc/75/23/57/694752357.db2.gz RKAAHNYLPDETFA-YESZJQIVSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC001072760845 694661309 /nfs/dbraw/zinc/66/13/09/694661309.db2.gz QQJLZDULSNNPCZ-GJZGRUSLSA-N 2 0 305.422 0.570 20 30 DCEDRP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001073745637 694776209 /nfs/dbraw/zinc/77/62/09/694776209.db2.gz DCLMOOBOICMHCV-YESZJQIVSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1OCC ZINC001691743414 1159027238 /nfs/dbraw/zinc/02/72/38/1159027238.db2.gz GUBLICDYLZFRDW-OWCLPIDISA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001571462627 1162768728 /nfs/dbraw/zinc/76/87/28/1162768728.db2.gz HHDJQSUJPWZDKC-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH2+]CCN(CCO)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001700041749 1157576025 /nfs/dbraw/zinc/57/60/25/1157576025.db2.gz LTYPTRMYDHDLDK-UHFFFAOYSA-N 2 0 309.454 0.541 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1c1cnn(C)c1 ZINC001691286061 1157630884 /nfs/dbraw/zinc/63/08/84/1157630884.db2.gz NDQFZCANSCUJTG-JKSUJKDBSA-N 2 0 319.453 0.832 20 30 DCEDRP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001755498136 1158151497 /nfs/dbraw/zinc/15/14/97/1158151497.db2.gz GHAVXFJIOQGVND-BZUAXINKSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001691528986 1158216876 /nfs/dbraw/zinc/21/68/76/1158216876.db2.gz VMOSFHFYCBBGMD-SJORKVTESA-N 2 0 319.449 0.247 20 30 DCEDRP Cn1c(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)ccc1[C@@H]1CCCC[NH2+]1 ZINC001648979067 1158265524 /nfs/dbraw/zinc/26/55/24/1158265524.db2.gz GVIYHVVBHNEQJF-RWMBFGLXSA-N 2 0 301.394 0.681 20 30 DCEDRP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001567202754 1160273341 /nfs/dbraw/zinc/27/33/41/1160273341.db2.gz KCCIGUJFBLKQTJ-IAGOWNOFSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCOCC)C2)CC1 ZINC001567884531 1160515744 /nfs/dbraw/zinc/51/57/44/1160515744.db2.gz RBCLGTRSHPLKKI-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#CCOC)[C@H](C)C1 ZINC001568369729 1160637457 /nfs/dbraw/zinc/63/74/57/1160637457.db2.gz VLIUOBKVVACTBI-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CC(=C)Cl)CC1 ZINC001568594603 1160698847 /nfs/dbraw/zinc/69/88/47/1160698847.db2.gz BYGLTDQVULDHOS-AWEZNQCLSA-N 2 0 313.829 0.151 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001569077078 1160936039 /nfs/dbraw/zinc/93/60/39/1160936039.db2.gz GQAQCKLUQIGABW-UONOGXRCSA-N 2 0 322.453 0.209 20 30 DCEDRP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001569693756 1161196825 /nfs/dbraw/zinc/19/68/25/1161196825.db2.gz KIKRYHYVRVQCBS-QGZVFWFLSA-N 2 0 307.438 0.560 20 30 DCEDRP C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001569748779 1161220826 /nfs/dbraw/zinc/22/08/26/1161220826.db2.gz IUTZNOFJSONBEF-HIFRSBDPSA-N 2 0 301.406 0.405 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001569819578 1161264405 /nfs/dbraw/zinc/26/44/05/1161264405.db2.gz MTJBZXPGVKEFIV-UONOGXRCSA-N 2 0 310.442 0.067 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001570354572 1161579397 /nfs/dbraw/zinc/57/93/97/1161579397.db2.gz OGNSZQLYRIWKHC-HIFRSBDPSA-N 2 0 322.453 0.067 20 30 DCEDRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC001578421426 1165011170 /nfs/dbraw/zinc/01/11/70/1165011170.db2.gz QJAJLJUKWAEPEH-ZDUSSCGKSA-N 2 0 317.393 0.807 20 30 DCEDRP C[NH+]1CCC(O)(C[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC001645881880 1172168625 /nfs/dbraw/zinc/16/86/25/1172168625.db2.gz ACISCZGNQLFPEB-UHFFFAOYSA-N 2 0 300.366 0.147 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCc2[nH]cnc2[C@]12CC[NH2+]C2 ZINC001646794147 1172536243 /nfs/dbraw/zinc/53/62/43/1172536243.db2.gz BUBABZMXICYNQI-IINYFYTJSA-N 2 0 309.801 0.453 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001663599513 1174329332 /nfs/dbraw/zinc/32/93/32/1174329332.db2.gz WSXQFOZRHXFFKH-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001667836928 1174721457 /nfs/dbraw/zinc/72/14/57/1174721457.db2.gz KSBQWAWMLHQYJV-HZPDHXFCSA-N 2 0 307.438 0.483 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCOC1CCC1 ZINC001669320889 1174919108 /nfs/dbraw/zinc/91/91/08/1174919108.db2.gz TWFWHTWETZSNKG-ZBFHGGJFSA-N 2 0 307.438 0.747 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)C[NH+]2CCCC2)C1=O ZINC001670345462 1175005559 /nfs/dbraw/zinc/00/55/59/1175005559.db2.gz VLJAQIQKCFMBNA-OAHLLOKOSA-N 2 0 322.453 0.307 20 30 DCEDRP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001671999378 1175060082 /nfs/dbraw/zinc/06/00/82/1175060082.db2.gz XBDKXINAFJNXHH-RDJZCZTQSA-N 2 0 307.438 0.436 20 30 DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001673671350 1175220971 /nfs/dbraw/zinc/22/09/71/1175220971.db2.gz LCPOZPYBKZVJIG-INMHGKMJSA-N 2 0 307.438 0.293 20 30 DCEDRP COCC#CC[NH2+]C1(C)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001673977653 1175244188 /nfs/dbraw/zinc/24/41/88/1175244188.db2.gz WUERRVOXFMYUCV-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001675903354 1175401726 /nfs/dbraw/zinc/40/17/26/1175401726.db2.gz LFAONEJCBHBPRU-WBVHZDCISA-N 2 0 321.465 0.853 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001676272859 1175434017 /nfs/dbraw/zinc/43/40/17/1175434017.db2.gz DWHGGPXESPAMIR-CVEARBPZSA-N 2 0 307.438 0.415 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001677121337 1175530824 /nfs/dbraw/zinc/53/08/24/1175530824.db2.gz RMQHMCXHPPAUBA-JKSUJKDBSA-N 2 0 309.454 0.683 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001689019511 1176676653 /nfs/dbraw/zinc/67/66/53/1176676653.db2.gz WVLCYJRGWKNGDH-RRFJBIMHSA-N 2 0 322.453 0.115 20 30 DCEDRP CC[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CC#CCOC)CC2)[NH+](C)C ZINC001690127956 1177176730 /nfs/dbraw/zinc/17/67/30/1177176730.db2.gz HIJMCLYIHSBJOL-JKSUJKDBSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCOC(C)C)C2)CC1 ZINC001690300357 1177211361 /nfs/dbraw/zinc/21/13/61/1177211361.db2.gz YMAAAPCPAXLGNE-QAQDUYKDSA-N 2 0 321.465 0.993 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001690405345 1177237748 /nfs/dbraw/zinc/23/77/48/1177237748.db2.gz IIQXEIUGSYQPQU-HNNXBMFYSA-N 2 0 317.437 0.520 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001690421542 1177239934 /nfs/dbraw/zinc/23/99/34/1177239934.db2.gz RXTIEKMGMIVOAR-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001690628484 1177287237 /nfs/dbraw/zinc/28/72/37/1177287237.db2.gz OHTACZVPUHAZFF-CVEARBPZSA-N 2 0 309.454 0.995 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001690746141 1177317002 /nfs/dbraw/zinc/31/70/02/1177317002.db2.gz TWOBJMQAYBEAGR-KRWDZBQOSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001690746142 1177317187 /nfs/dbraw/zinc/31/71/87/1177317187.db2.gz TWOBJMQAYBEAGR-QGZVFWFLSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCOC)C2)CC1 ZINC001690787588 1177325331 /nfs/dbraw/zinc/32/53/31/1177325331.db2.gz JVXJECYENNRWFS-DLBZAZTESA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001699878919 1178326818 /nfs/dbraw/zinc/32/68/18/1178326818.db2.gz DXPOZRXNMBSYQE-SJLPKXTDSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC1(O)C[NH+](CC2CCCC2)C1 ZINC001699916416 1178375175 /nfs/dbraw/zinc/37/51/75/1178375175.db2.gz SCXQFJHCCUIEKM-INIZCTEOSA-N 2 0 319.449 0.437 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001700027967 1178445028 /nfs/dbraw/zinc/44/50/28/1178445028.db2.gz RPPWJDIVXIQCIO-QGZVFWFLSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](CC[NH2+]CCO)C2)CC1 ZINC001700094494 1178476483 /nfs/dbraw/zinc/47/64/83/1178476483.db2.gz UOFDZRJOTJRCKI-HNNXBMFYSA-N 2 0 307.438 0.152 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001700296345 1178569895 /nfs/dbraw/zinc/56/98/95/1178569895.db2.gz NEBBWNYUFVIXKU-UHFFFAOYSA-N 2 0 308.470 0.733 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC(C)(C)C[NH2+]CCO)CC1 ZINC001700448183 1178617709 /nfs/dbraw/zinc/61/77/09/1178617709.db2.gz BEVLDCMEDVCZDH-UHFFFAOYSA-N 2 0 309.454 0.398 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001700753038 1178731715 /nfs/dbraw/zinc/73/17/15/1178731715.db2.gz SIGSJDNTJOCSSU-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001700843129 1178774828 /nfs/dbraw/zinc/77/48/28/1178774828.db2.gz SWEVRRARRVRFIQ-ZFWWWQNUSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CCC[N@H+]1CC=C(CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001701060065 1178910518 /nfs/dbraw/zinc/91/05/18/1178910518.db2.gz MWMLSQYHSAHFCI-UHFFFAOYSA-N 2 0 319.449 0.869 20 30 DCEDRP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001707224154 1180439840 /nfs/dbraw/zinc/43/98/40/1180439840.db2.gz OVPMGOGZUVOWPG-IKGGRYGDSA-N 2 0 321.465 0.921 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001713149691 1180697946 /nfs/dbraw/zinc/69/79/46/1180697946.db2.gz BTQYMFRNMUFMQK-QLFBSQMISA-N 2 0 324.469 0.454 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713199429 1180716665 /nfs/dbraw/zinc/71/66/65/1180716665.db2.gz CKOQRQAXPSILHF-MCIONIFRSA-N 2 0 322.453 0.256 20 30 DCEDRP COCC#CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001713564791 1180924282 /nfs/dbraw/zinc/92/42/82/1180924282.db2.gz LAUIJOCNTDKKMP-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001713744915 1181039929 /nfs/dbraw/zinc/03/99/29/1181039929.db2.gz MZYIXSRQBVFNRC-QGZVFWFLSA-N 2 0 322.497 0.980 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001713744914 1181041070 /nfs/dbraw/zinc/04/10/70/1181041070.db2.gz MZYIXSRQBVFNRC-KRWDZBQOSA-N 2 0 322.497 0.980 20 30 DCEDRP CC#CC[NH2+][C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001713884139 1181128420 /nfs/dbraw/zinc/12/84/20/1181128420.db2.gz QXKGYJKTFCXGAU-GDBMZVCRSA-N 2 0 307.438 0.462 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001713958892 1181172965 /nfs/dbraw/zinc/17/29/65/1181172965.db2.gz UDRYEIWYNDGXGW-QEJZJMRPSA-N 2 0 322.453 0.256 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001714610991 1181439205 /nfs/dbraw/zinc/43/92/05/1181439205.db2.gz VPHVZARVOOEKQA-HZPDHXFCSA-N 2 0 309.454 0.946 20 30 DCEDRP CC#CC[N@H+](CCNC(=O)C(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC001714666265 1181468742 /nfs/dbraw/zinc/46/87/42/1181468742.db2.gz AGXFDDDZOWZQEJ-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001715099969 1181688300 /nfs/dbraw/zinc/68/83/00/1181688300.db2.gz RGNKPVQFTDEYGO-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001715179496 1181709127 /nfs/dbraw/zinc/70/91/27/1181709127.db2.gz TYSQWAPEMRGLLC-KRWDZBQOSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001715953188 1182117125 /nfs/dbraw/zinc/11/71/25/1182117125.db2.gz KCFSOSUIFXIPPF-CVEARBPZSA-N 2 0 309.454 0.993 20 30 DCEDRP CCN(CC[NH2+]CC#CCOC)C(=O)CC1CC[NH+](C)CC1 ZINC001716243728 1182274065 /nfs/dbraw/zinc/27/40/65/1182274065.db2.gz LQUXKOZHRURNLC-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001716874575 1182555263 /nfs/dbraw/zinc/55/52/63/1182555263.db2.gz MGJXRXMGSPDRPV-AEFFLSMTSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001717109824 1182680392 /nfs/dbraw/zinc/68/03/92/1182680392.db2.gz MVXDJYGZAGQYIM-HZPDHXFCSA-N 2 0 307.438 0.416 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]CC#CCOC)CC1 ZINC001717303862 1182772331 /nfs/dbraw/zinc/77/23/31/1182772331.db2.gz HXTRDILBPXUAGU-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001717313856 1182776077 /nfs/dbraw/zinc/77/60/77/1182776077.db2.gz HYLCYSDEBNVUKL-KRWDZBQOSA-N 2 0 320.481 0.875 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CCOC ZINC001717454390 1182838344 /nfs/dbraw/zinc/83/83/44/1182838344.db2.gz ZMRTVOILCVAJLP-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001722918065 1184232540 /nfs/dbraw/zinc/23/25/40/1184232540.db2.gz ZZBDIGUNJOGTEY-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)CC[NH+](C)C)C2)C1=O ZINC001724173771 1184395999 /nfs/dbraw/zinc/39/59/99/1184395999.db2.gz MGIAODCDXKIUAP-YOEHRIQHSA-N 2 0 322.453 0.306 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](CC#C)CC2)C[C@@H]1C ZINC001724610975 1184473132 /nfs/dbraw/zinc/47/31/32/1184473132.db2.gz XACMEUVECLTKOP-RDJZCZTQSA-N 2 0 301.434 0.649 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(CO)CCC[N@@H+](C(C)C)C2)CC1 ZINC001724640187 1184491028 /nfs/dbraw/zinc/49/10/28/1184491028.db2.gz CWPCPNFMMAHSNM-GOSISDBHSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001724818093 1184573463 /nfs/dbraw/zinc/57/34/63/1184573463.db2.gz WNCVPSBXTMTKDR-OAHLLOKOSA-N 2 0 305.422 0.455 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001724841984 1184587655 /nfs/dbraw/zinc/58/76/55/1184587655.db2.gz GLHKEWAMTOOJSY-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001725113957 1184688009 /nfs/dbraw/zinc/68/80/09/1184688009.db2.gz PAOQLXLHWIYZMB-UONOGXRCSA-N 2 0 305.426 0.564 20 30 DCEDRP C=CCC[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001725716039 1184965030 /nfs/dbraw/zinc/96/50/30/1184965030.db2.gz VQRGELSPEAQJDU-CABCVRRESA-N 2 0 309.454 0.846 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001731357932 1185290598 /nfs/dbraw/zinc/29/05/98/1185290598.db2.gz OXMPILHQOFBMJS-QGZVFWFLSA-N 2 0 320.481 0.618 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[NH2+]C[C@@H](C)O)C2)CC1 ZINC001731528519 1185375485 /nfs/dbraw/zinc/37/54/85/1185375485.db2.gz BFCBSVUMYRYBMR-HZPDHXFCSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001731700197 1185448444 /nfs/dbraw/zinc/44/84/44/1185448444.db2.gz QICXEQVPZREEKC-LSDHHAIUSA-N 2 0 322.453 0.095 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCCO)C2)CC1 ZINC001731706109 1185450666 /nfs/dbraw/zinc/45/06/66/1185450666.db2.gz XWVBYQALWALRQS-IAGOWNOFSA-N 2 0 321.465 0.731 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001732042512 1185642354 /nfs/dbraw/zinc/64/23/54/1185642354.db2.gz BCZWGTMBADFMHW-GJZGRUSLSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001732078277 1185662317 /nfs/dbraw/zinc/66/23/17/1185662317.db2.gz PNABHDLVYFNXPH-OAHLLOKOSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CC[NH2+]CCC1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001732303623 1185760890 /nfs/dbraw/zinc/76/08/90/1185760890.db2.gz WNRKQGWDKYFPEC-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001732399236 1185799244 /nfs/dbraw/zinc/79/92/44/1185799244.db2.gz ZIDZXNZTKNINTP-HNNXBMFYSA-N 2 0 307.438 0.607 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001732996540 1186096098 /nfs/dbraw/zinc/09/60/98/1186096098.db2.gz LXGRHCNCNMYCTA-KBPBESRZSA-N 2 0 310.442 0.256 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001733076710 1186127247 /nfs/dbraw/zinc/12/72/47/1186127247.db2.gz HECVZVQPVCZWNV-CVEARBPZSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CC[N@@H+](CCOC)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001733279836 1186209981 /nfs/dbraw/zinc/20/99/81/1186209981.db2.gz DGFRUFJUWORJOH-UHFFFAOYSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC001733764630 1186438338 /nfs/dbraw/zinc/43/83/38/1186438338.db2.gz KLYWIVMVIIBSSS-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH2+][C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1C ZINC001733851955 1186475789 /nfs/dbraw/zinc/47/57/89/1186475789.db2.gz AVDGFNOPZPJQCA-HOCLYGCPSA-N 2 0 317.437 0.518 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001733982039 1186514239 /nfs/dbraw/zinc/51/42/39/1186514239.db2.gz CBNACOHSTYIAQW-KBPBESRZSA-N 2 0 322.453 0.093 20 30 DCEDRP COCC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001734424744 1186650162 /nfs/dbraw/zinc/65/01/62/1186650162.db2.gz GFJHPLRYSDPRHT-LSDHHAIUSA-N 2 0 305.422 0.311 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001734505371 1186667815 /nfs/dbraw/zinc/66/78/15/1186667815.db2.gz TUMNUIYLQSXFAY-UONOGXRCSA-N 2 0 322.453 0.067 20 30 DCEDRP C=C(C)C[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCOC ZINC001734581361 1186695311 /nfs/dbraw/zinc/69/53/11/1186695311.db2.gz MOJXMSMGTUNLIS-MRXNPFEDSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CC[N@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001754752863 1188921170 /nfs/dbraw/zinc/92/11/70/1188921170.db2.gz RWMMGIUEJUTAPU-KRWDZBQOSA-N 2 0 307.438 0.601 20 30 DCEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001754758759 1188925590 /nfs/dbraw/zinc/92/55/90/1188925590.db2.gz DSJPVBBFOOOAPE-PBHICJAKSA-N 2 0 320.437 0.870 20 30 DCEDRP C#CCC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001754857292 1188951820 /nfs/dbraw/zinc/95/18/20/1188951820.db2.gz DHSZKDWKYOPMSN-BQFCYCMXSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CCC[NH2+]CCN(CCO)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001754893530 1188967166 /nfs/dbraw/zinc/96/71/66/1188967166.db2.gz YIOBCZISNYNSJG-INIZCTEOSA-N 2 0 309.454 0.685 20 30 DCEDRP CCC1([NH2+]CC#CCOC)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001755073528 1189014669 /nfs/dbraw/zinc/01/46/69/1189014669.db2.gz XMZWGIGLFVSAMS-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001755083569 1189016279 /nfs/dbraw/zinc/01/62/79/1189016279.db2.gz UFMJGAGCZGBNRK-GDBMZVCRSA-N 2 0 313.417 0.243 20 30 DCEDRP C#CC[NH2+]C1(C)CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001755132652 1189032895 /nfs/dbraw/zinc/03/28/95/1189032895.db2.gz JZXMHFRGSVTRGD-UHFFFAOYSA-N 2 0 317.437 0.662 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001755155701 1189039005 /nfs/dbraw/zinc/03/90/05/1189039005.db2.gz FFLALYUQUWAWCV-IYBDPMFKSA-N 2 0 321.465 0.826 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC#CCOC ZINC001755328050 1189082221 /nfs/dbraw/zinc/08/22/21/1189082221.db2.gz NQAHMWIRQLJOLA-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001755441948 1189113962 /nfs/dbraw/zinc/11/39/62/1189113962.db2.gz LVLLAMXSDWKLBN-HOCLYGCPSA-N 2 0 307.438 0.700 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001755781090 1189209795 /nfs/dbraw/zinc/20/97/95/1189209795.db2.gz QYIHDYIZJUQKHC-AWEZNQCLSA-N 2 0 323.462 0.856 20 30 DCEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001755783252 1189210996 /nfs/dbraw/zinc/21/09/96/1189210996.db2.gz NNVZJAVQHQNEJV-CQSZACIVSA-N 2 0 315.377 0.476 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CCO)[C@H](C)C2)CC1 ZINC001107034259 751777058 /nfs/dbraw/zinc/77/70/58/751777058.db2.gz RZUIEAYMPJGEHV-GDBMZVCRSA-N 2 0 307.438 0.008 20 30 DCEDRP C=CC[NH+](CCO)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001098533011 747022860 /nfs/dbraw/zinc/02/28/60/747022860.db2.gz OOTAQJMLYUCSBK-OAHLLOKOSA-N 2 0 309.454 0.800 20 30 DCEDRP C=CCC[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001098560992 747335976 /nfs/dbraw/zinc/33/59/76/747335976.db2.gz LPSDLTHJOVPLMK-HNNXBMFYSA-N 2 0 309.454 0.800 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3C)C[C@@H]2C1 ZINC001088202333 749286820 /nfs/dbraw/zinc/28/68/20/749286820.db2.gz WDJGYXHBALLBBV-CVEARBPZSA-N 2 0 300.406 0.995 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(CC)CCO3)C[C@@H]2C1 ZINC001088208064 749289473 /nfs/dbraw/zinc/28/94/73/749289473.db2.gz JVIKLLCUWVHSAT-IKGGRYGDSA-N 2 0 319.449 0.511 20 30 DCEDRP C#CCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083525073 750097458 /nfs/dbraw/zinc/09/74/58/750097458.db2.gz YANSMKSUPQNZNP-OAGGEKHMSA-N 2 0 305.422 0.188 20 30 DCEDRP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001077309074 750338542 /nfs/dbraw/zinc/33/85/42/750338542.db2.gz ZSUCRHLNGTVCTP-HUUCEWRRSA-N 2 0 300.362 0.685 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106455415 751154006 /nfs/dbraw/zinc/15/40/06/751154006.db2.gz SFBNGPZEQCBNTK-MYPHYYIGSA-N 2 0 319.449 0.720 20 30 DCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001044802004 752882674 /nfs/dbraw/zinc/88/26/74/752882674.db2.gz YUSPBZIUVZIDJJ-LSDHHAIUSA-N 2 0 307.438 0.700 20 30 DCEDRP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001045444256 753196530 /nfs/dbraw/zinc/19/65/30/753196530.db2.gz FVPOGSGAIWDWQT-HZPDHXFCSA-N 2 0 319.449 0.844 20 30 DCEDRP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001045444412 753196737 /nfs/dbraw/zinc/19/67/37/753196737.db2.gz MUXPEXFWYNGVMV-JKSUJKDBSA-N 2 0 319.449 0.844 20 30 DCEDRP C=CC[N@H+]1CC[C@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046326754 753646856 /nfs/dbraw/zinc/64/68/56/753646856.db2.gz UTXVFDUJPPBFGW-INIZCTEOSA-N 2 0 305.426 0.825 20 30 DCEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083833338 753962000 /nfs/dbraw/zinc/96/20/00/753962000.db2.gz WECNCRPHPXARKL-OAGGEKHMSA-N 2 0 309.454 0.987 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001047380968 754229040 /nfs/dbraw/zinc/22/90/40/754229040.db2.gz BZBBEXNJYJNGOB-JYJNAYRXSA-N 2 0 307.438 0.408 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2CCC)C1=O ZINC001128782634 754279187 /nfs/dbraw/zinc/27/91/87/754279187.db2.gz ADIWEILVURAKNJ-CABCVRRESA-N 2 0 322.453 0.354 20 30 DCEDRP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001047527291 754360531 /nfs/dbraw/zinc/36/05/31/754360531.db2.gz BHCZKGMTTRHRGM-JYJNAYRXSA-N 2 0 309.454 0.940 20 30 DCEDRP C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001047551884 754383073 /nfs/dbraw/zinc/38/30/73/754383073.db2.gz WMLLEFGTAAZJFW-PMPSAXMXSA-N 2 0 307.438 0.388 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049215863 755187240 /nfs/dbraw/zinc/18/72/40/755187240.db2.gz NSVLTUPCDAVKBV-ZACQAIPSSA-N 2 0 321.465 0.921 20 30 DCEDRP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)COC1CC[NH+](C)CC1 ZINC001049828251 755415406 /nfs/dbraw/zinc/41/54/06/755415406.db2.gz OAEDPPFEBSHFHN-IAGOWNOFSA-N 2 0 319.449 0.796 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001090355714 755666143 /nfs/dbraw/zinc/66/61/43/755666143.db2.gz RHXLGNFZTUYOIO-CVEARBPZSA-N 2 0 319.449 0.437 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC001082558561 757186636 /nfs/dbraw/zinc/18/66/36/757186636.db2.gz XKXOKAKHLFGPOM-OIISXLGYSA-N 2 0 319.449 0.700 20 30 DCEDRP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083084008 757483435 /nfs/dbraw/zinc/48/34/35/757483435.db2.gz VSMGXOAKAIXWFA-YESZJQIVSA-N 2 0 317.433 0.263 20 30 DCEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001084713976 757982674 /nfs/dbraw/zinc/98/26/74/757982674.db2.gz HUVSNCFAEVCVCS-GDBMZVCRSA-N 2 0 317.437 0.777 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCO)CC1 ZINC001085432616 758872857 /nfs/dbraw/zinc/87/28/57/758872857.db2.gz HNMGEMCARDERQJ-HZPDHXFCSA-N 2 0 307.438 0.341 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001085866269 759404342 /nfs/dbraw/zinc/40/43/42/759404342.db2.gz DFROGVFHQCTHJR-MRXNPFEDSA-N 2 0 317.437 0.614 20 30 DCEDRP C=CCOCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H](O)C1 ZINC001100084174 760188938 /nfs/dbraw/zinc/18/89/38/760188938.db2.gz YCIRPECFDXVVEG-LSDHHAIUSA-N 2 0 313.442 0.082 20 30 DCEDRP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001108344024 760418746 /nfs/dbraw/zinc/41/87/46/760418746.db2.gz GLCBVLXGDJTXTC-MRXNPFEDSA-N 2 0 307.438 0.865 20 30 DCEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158512 761112168 /nfs/dbraw/zinc/11/21/68/761112168.db2.gz NULJVDBQGFLQPN-ILXRZTDVSA-N 2 0 318.425 0.290 20 30 DCEDRP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C1CC[NH+](C)CC1)C[C@H](C)O2 ZINC001071204033 761703715 /nfs/dbraw/zinc/70/37/15/761703715.db2.gz MCNTVRBEVFUOQS-YJBOKZPZSA-N 2 0 319.449 0.653 20 30 DCEDRP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)COCC[NH+](C)C ZINC001099310883 762861521 /nfs/dbraw/zinc/86/15/21/762861521.db2.gz VDFUYMSIUUEAJT-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CC[N@H+]1CC[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001099899598 763108166 /nfs/dbraw/zinc/10/81/66/763108166.db2.gz VQWQFMLGFYZISQ-HOTGVXAUSA-N 2 0 318.421 0.645 20 30 DCEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099972465 763176800 /nfs/dbraw/zinc/17/68/00/763176800.db2.gz WYLXALVJOYOZGO-HUUCEWRRSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[NH+](CC)CC)C1 ZINC001130430818 763300809 /nfs/dbraw/zinc/30/08/09/763300809.db2.gz JCPURONSVXJJOA-CQSZACIVSA-N 2 0 317.437 0.790 20 30 DCEDRP C#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[N@@H+](C)CC)C1 ZINC001130439857 763318639 /nfs/dbraw/zinc/31/86/39/763318639.db2.gz WUPOEACXOUJNLW-CQSZACIVSA-N 2 0 317.437 0.790 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100126649 763335562 /nfs/dbraw/zinc/33/55/62/763335562.db2.gz KOPVCRVRRRCVGM-JKSUJKDBSA-N 2 0 309.454 0.990 20 30 DCEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001100522781 763631897 /nfs/dbraw/zinc/63/18/97/763631897.db2.gz GKXNRWRXHRWCJY-QFQXCOSMSA-N 2 0 317.433 0.357 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001100872794 763836053 /nfs/dbraw/zinc/83/60/53/763836053.db2.gz JYVXNSDYJJCBQX-FHERZECASA-N 2 0 307.438 0.462 20 30 DCEDRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](CC#CCOC)C[C@@]2(C)C1 ZINC001101400185 764085091 /nfs/dbraw/zinc/08/50/91/764085091.db2.gz KNKXTEDYBQUOAO-AEFFLSMTSA-N 2 0 321.465 0.758 20 30 DCEDRP C#CC[N@H+]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132406186 764442212 /nfs/dbraw/zinc/44/22/12/764442212.db2.gz FKOHOGVUMLTKQX-LSDHHAIUSA-N 2 0 307.438 0.700 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048438 764509410 /nfs/dbraw/zinc/50/94/10/764509410.db2.gz BKSXFTRNUGNAHS-OIISXLGYSA-N 2 0 321.465 0.661 20 30 DCEDRP C=C(Br)C[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133853822 765172167 /nfs/dbraw/zinc/17/21/67/765172167.db2.gz QCGIMHKOSXMFET-SNVBAGLBSA-N 2 0 304.232 0.943 20 30 DCEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001134391863 765510452 /nfs/dbraw/zinc/51/04/52/765510452.db2.gz IYANQLAZMBOCRN-LSDHHAIUSA-N 2 0 319.453 0.955 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001115000641 765549172 /nfs/dbraw/zinc/54/91/72/765549172.db2.gz JPXOYQRJVXAMDW-NYTXWWLZSA-N 2 0 322.453 0.065 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CC ZINC001115081806 765583006 /nfs/dbraw/zinc/58/30/06/765583006.db2.gz YKFHWRKNYHYIQL-NYTXWWLZSA-N 2 0 322.453 0.065 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134612592 765590630 /nfs/dbraw/zinc/59/06/30/765590630.db2.gz OSQHVRKHMYCRRR-UONOGXRCSA-N 2 0 322.453 0.093 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134750320 765654482 /nfs/dbraw/zinc/65/44/82/765654482.db2.gz UMVBPQUHICQDPJ-CQSZACIVSA-N 2 0 310.442 0.259 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135390243 765920204 /nfs/dbraw/zinc/92/02/04/765920204.db2.gz IWINVGQAIVGSHU-UONOGXRCSA-N 2 0 324.469 0.503 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090573812 766328897 /nfs/dbraw/zinc/32/88/97/766328897.db2.gz PAXVDLYMMLRNLX-CABCVRRESA-N 2 0 309.454 0.846 20 30 DCEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](O)C1 ZINC001090706271 766494062 /nfs/dbraw/zinc/49/40/62/766494062.db2.gz HBUAMBAVSMABSE-DLBZAZTESA-N 2 0 321.465 0.846 20 30 DCEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090731829 766528805 /nfs/dbraw/zinc/52/88/05/766528805.db2.gz WYKMWYUQUFGUCG-HUUCEWRRSA-N 2 0 307.438 0.600 20 30 DCEDRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@H]1C[NH+](C)C ZINC001119241359 766606788 /nfs/dbraw/zinc/60/67/88/766606788.db2.gz BTPSEOVRQGWPGQ-KFWWJZLASA-N 3 0 309.458 0.205 20 30 DCEDRP C=CCOC(=O)[C@@H](N)CCCCNc1ccncc1C(=O)OC ZINC001171072670 766618590 /nfs/dbraw/zinc/61/85/90/766618590.db2.gz QRWFMROXLYSODI-ZDUSSCGKSA-N 2 0 321.377 0.929 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC=C)C[C@H]2O)CC1 ZINC001090829683 766647812 /nfs/dbraw/zinc/64/78/12/766647812.db2.gz DOEOTSOFKYRYMP-IAGOWNOFSA-N 2 0 319.449 0.459 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(C)C)C[C@@H]2O)CC1 ZINC001090830599 766648830 /nfs/dbraw/zinc/64/88/30/766648830.db2.gz NOFPOUXCNWLRBR-SJORKVTESA-N 2 0 321.465 0.539 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146718448 767511422 /nfs/dbraw/zinc/51/14/22/767511422.db2.gz BPGKUFCGFIKPCO-UHFFFAOYSA-N 2 0 312.458 0.459 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001147788140 767848446 /nfs/dbraw/zinc/84/84/46/767848446.db2.gz XCISXKOAHBWRGV-INIZCTEOSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001093412924 768563236 /nfs/dbraw/zinc/56/32/36/768563236.db2.gz BHBAHDBQUMKPOZ-KLHKWILBSA-N 2 0 319.449 0.701 20 30 DCEDRP C#CCC[NH+]1CCCO[C@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001150332152 769066705 /nfs/dbraw/zinc/06/67/05/769066705.db2.gz GRUPLACBHAKEKS-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCN1CCCO[C@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001150331551 769066770 /nfs/dbraw/zinc/06/67/70/769066770.db2.gz DQZLOVZZPAAJKQ-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001150417592 769090680 /nfs/dbraw/zinc/09/06/80/769090680.db2.gz OLIUHQORLJPGGD-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001151408411 769332270 /nfs/dbraw/zinc/33/22/70/769332270.db2.gz IYRAYJTXSUUDEH-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cnoc2C)CC1 ZINC001152323861 769527359 /nfs/dbraw/zinc/52/73/59/769527359.db2.gz FJLOHRVLAYLBJA-UHFFFAOYSA-N 2 0 304.394 0.534 20 30 DCEDRP N#Cc1ccc(F)c(CN2CC[NH2+]CCNCC[NH2+]CC2)c1F ZINC001235869599 769953710 /nfs/dbraw/zinc/95/37/10/769953710.db2.gz HEBLTQKUGHRAPJ-UHFFFAOYSA-N 2 0 323.391 0.421 20 30 DCEDRP N#CCOc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001235870869 769954526 /nfs/dbraw/zinc/95/45/26/769954526.db2.gz LQHZOXJSUBTJTB-UHFFFAOYSA-N 2 0 317.437 0.173 20 30 DCEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001155744339 770606128 /nfs/dbraw/zinc/60/61/28/770606128.db2.gz SOSVCEDIMKOMCF-OAHLLOKOSA-N 2 0 319.453 0.908 20 30 DCEDRP C[N@@H+]1CC[C@@H](C(=O)NCCNCc2cc(F)ccc2C#N)C1 ZINC001151049037 771318205 /nfs/dbraw/zinc/31/82/05/771318205.db2.gz HVNJDCWWIQUPSN-CYBMUJFWSA-N 2 0 304.369 0.855 20 30 DCEDRP C[N@@H+]1CC[C@H](C(=O)NCCNCc2cc(F)ccc2C#N)C1 ZINC001151049038 771318263 /nfs/dbraw/zinc/31/82/63/771318263.db2.gz HVNJDCWWIQUPSN-ZDUSSCGKSA-N 2 0 304.369 0.855 20 30 DCEDRP N#Cc1c2c(cnc1-n1cc3c(n1)CC[C@@H]([NH3+])C3)C[NH2+]CCC2 ZINC001157979092 771705924 /nfs/dbraw/zinc/70/59/24/771705924.db2.gz BSOOVEWRPIIXKN-CYBMUJFWSA-N 2 0 308.389 0.991 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158202263 771740359 /nfs/dbraw/zinc/74/03/59/771740359.db2.gz KCYLFGUQBTTWTN-DZGCQCFKSA-N 2 0 322.453 0.115 20 30 DCEDRP C#C[C@](C)([NH3+])C(=O)N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001159632834 771937453 /nfs/dbraw/zinc/93/74/53/771937453.db2.gz ATUHPDDTTYFMDP-DYVFJYSZSA-N 2 0 317.437 0.977 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001159900933 771973828 /nfs/dbraw/zinc/97/38/28/771973828.db2.gz DSVCFTNQHPYVQS-HNNXBMFYSA-N 2 0 324.469 0.647 20 30 DCEDRP C#CC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001160196436 772007435 /nfs/dbraw/zinc/00/74/35/772007435.db2.gz SFHLUHJYMQZYGH-DLBZAZTESA-N 2 0 317.433 0.621 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC12CCOCC2 ZINC001186464767 772048313 /nfs/dbraw/zinc/04/83/13/772048313.db2.gz PKTNOKVWZIVGBI-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CC12CCOCC2 ZINC001186553763 772054204 /nfs/dbraw/zinc/05/42/04/772054204.db2.gz VLOGGPIAVVKSCH-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161246825 772190307 /nfs/dbraw/zinc/19/03/07/772190307.db2.gz PZAFLIVPBNNHAN-HOCLYGCPSA-N 2 0 304.369 0.717 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCOCC=C)C2)CC1 ZINC001188092710 772264589 /nfs/dbraw/zinc/26/45/89/772264589.db2.gz WUGYEVWHIHXCBS-QGZVFWFLSA-N 2 0 319.449 0.725 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)CC[N@@H+](C)CC)(COC)CC1 ZINC001162569275 772393079 /nfs/dbraw/zinc/39/30/79/772393079.db2.gz NRMQTFPUMRCHHR-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001163850832 772581847 /nfs/dbraw/zinc/58/18/47/772581847.db2.gz ABOVVBVJUKKXAJ-AWEZNQCLSA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001165263720 772713293 /nfs/dbraw/zinc/71/32/93/772713293.db2.gz VGARJGCOMDAZGP-CQSZACIVSA-N 2 0 322.453 0.211 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191144957 772732090 /nfs/dbraw/zinc/73/20/90/772732090.db2.gz RXPOSXLFKYIZCA-INIZCTEOSA-N 2 0 319.449 0.797 20 30 DCEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001191430613 772767094 /nfs/dbraw/zinc/76/70/94/772767094.db2.gz GGOMHZLEZIMCAE-BNQMIIOLSA-N 2 0 319.449 0.958 20 30 DCEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001191430197 772767216 /nfs/dbraw/zinc/76/72/16/772767216.db2.gz CCJVWPJZHMVKSM-NDUQDZPOSA-N 2 0 317.433 0.406 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192007498 772856813 /nfs/dbraw/zinc/85/68/13/772856813.db2.gz OHIQZGYMYQPWBZ-HNNXBMFYSA-N 2 0 307.438 0.511 20 30 DCEDRP COCC#CC[NH2+]CC1(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001166870286 772873059 /nfs/dbraw/zinc/87/30/59/772873059.db2.gz XQQLOEPDHWGVJM-UHFFFAOYSA-N 2 0 321.465 0.854 20 30 DCEDRP COCC#CC[NH2+]CC1(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001166979199 772895465 /nfs/dbraw/zinc/89/54/65/772895465.db2.gz OLTOYTZZTQUECP-UHFFFAOYSA-N 2 0 321.465 0.854 20 30 DCEDRP COCC#CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203791717 772924681 /nfs/dbraw/zinc/92/46/81/772924681.db2.gz KIESFRJZRKPNIP-CVEARBPZSA-N 2 0 321.465 0.993 20 30 DCEDRP COCC#CC[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001206872494 773116616 /nfs/dbraw/zinc/11/66/16/773116616.db2.gz GYRMQLVVWZKVSH-KRWDZBQOSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CCCO)C2)CC1 ZINC001194246522 773167546 /nfs/dbraw/zinc/16/75/46/773167546.db2.gz NXHXLVWQUCHKHD-INIZCTEOSA-N 2 0 307.438 0.247 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@H]1C ZINC001210484817 773712486 /nfs/dbraw/zinc/71/24/86/773712486.db2.gz DKEAUZIFDUNOJJ-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210684743 773729982 /nfs/dbraw/zinc/72/99/82/773729982.db2.gz ISCPBLFWWXDZGX-HNNXBMFYSA-N 2 0 313.442 0.348 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215057098 774037180 /nfs/dbraw/zinc/03/71/80/774037180.db2.gz WQSQZIMNYIMPIU-HZPDHXFCSA-N 2 0 319.449 0.701 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216834033 774140642 /nfs/dbraw/zinc/14/06/42/774140642.db2.gz HMEJMXWXBOBGAH-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP N#Cc1cc2cccnc2nc1NC(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC001218540886 774241622 /nfs/dbraw/zinc/24/16/22/774241622.db2.gz BVAWHQFCSVYKKZ-GFCCVEGCSA-N 2 0 307.317 0.733 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200636589 774382517 /nfs/dbraw/zinc/38/25/17/774382517.db2.gz JGCQPXRKEQYSPP-UKRRQHHQSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001200658321 774392703 /nfs/dbraw/zinc/39/27/03/774392703.db2.gz KQKXXXAADIKWFR-HZPDHXFCSA-N 2 0 305.422 0.454 20 30 DCEDRP CNC(=O)c1cc(C#N)cc(C)c1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001219161300 774393626 /nfs/dbraw/zinc/39/36/26/774393626.db2.gz ASFSSPYBBADZPE-GFCCVEGCSA-N 2 0 303.366 0.231 20 30 DCEDRP N#CCc1cc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)ccc1F ZINC001219518526 774520156 /nfs/dbraw/zinc/52/01/56/774520156.db2.gz OQCZWRHKVORLHN-HNNXBMFYSA-N 2 0 319.384 0.581 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCCO1 ZINC001201570184 774526253 /nfs/dbraw/zinc/52/62/53/774526253.db2.gz YNHUJVGKRRAYAP-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219724510 774591711 /nfs/dbraw/zinc/59/17/11/774591711.db2.gz OMZSDYCRMLOWLA-MCIONIFRSA-N 2 0 301.406 0.404 20 30 DCEDRP C#CC[C@]1(C(=O)NC[C@H]2CCC3(CC[NH2+]CC3)O2)CCC[NH2+]1 ZINC001219743517 774595987 /nfs/dbraw/zinc/59/59/87/774595987.db2.gz FYJIBJYVSUCPCC-RHSMWYFYSA-N 2 0 305.422 0.549 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001202238364 774625643 /nfs/dbraw/zinc/62/56/43/774625643.db2.gz DDBNDRUXDFMBEB-AWEZNQCLSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202331454 774637913 /nfs/dbraw/zinc/63/79/13/774637913.db2.gz RZVRECJYCPBPRI-CYBMUJFWSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001220868232 774939985 /nfs/dbraw/zinc/93/99/85/774939985.db2.gz FFGRVIHYPAZFME-YESZJQIVSA-N 2 0 320.481 0.827 20 30 DCEDRP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001221444994 775105525 /nfs/dbraw/zinc/10/55/25/775105525.db2.gz VTBUMRXADOIRQS-OWCLPIDISA-N 2 0 307.438 0.816 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[NH+](CC#CCOC)[C@H]2C1 ZINC001223838373 775520757 /nfs/dbraw/zinc/52/07/57/775520757.db2.gz HHFVUTYGVIPMHA-SJORKVTESA-N 2 0 321.465 0.901 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916244 775525522 /nfs/dbraw/zinc/52/55/22/775525522.db2.gz CHAYUUCPCKKUOB-CVEARBPZSA-N 2 0 307.438 0.511 20 30 DCEDRP COCC#CC[NH+]1CCC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001224558093 775582564 /nfs/dbraw/zinc/58/25/64/775582564.db2.gz ACZBPBGXQVAZAE-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001225346261 775669612 /nfs/dbraw/zinc/66/96/12/775669612.db2.gz LAFGEYAMVJIEAN-OAGGEKHMSA-N 2 0 307.438 0.747 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228355945 776075020 /nfs/dbraw/zinc/07/50/20/776075020.db2.gz WUIJPYVMFLYCBF-RBSFLKMASA-N 2 0 322.453 0.093 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228904850 776137168 /nfs/dbraw/zinc/13/71/68/776137168.db2.gz WNIBEAMPOXFQLX-AWEZNQCLSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCNC(=O)CN1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001229184788 776165914 /nfs/dbraw/zinc/16/59/14/776165914.db2.gz BNRRFZXKVZUXMB-CQSZACIVSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001229859893 776231817 /nfs/dbraw/zinc/23/18/17/776231817.db2.gz GZPFRYYFIWKVQK-HUUCEWRRSA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001229908335 776235546 /nfs/dbraw/zinc/23/55/46/776235546.db2.gz ISYIOZXLQJFSPH-CQSZACIVSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230374120 776288930 /nfs/dbraw/zinc/28/89/30/776288930.db2.gz JPZPSPJKKKHJLE-CQSZACIVSA-N 2 0 324.469 0.598 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC#CCOC ZINC001278024461 945101541 /nfs/dbraw/zinc/10/15/41/945101541.db2.gz FCUNGBDGNOLUBC-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001278292426 945210109 /nfs/dbraw/zinc/21/01/09/945210109.db2.gz FOZBMWLGYZSOBR-DZGCQCFKSA-N 2 0 322.453 0.209 20 30 DCEDRP COCC#CC[N@H+](C)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001282498507 939085979 /nfs/dbraw/zinc/08/59/79/939085979.db2.gz YJISQBBKGCQYQT-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC#CCOC ZINC001267154814 939361284 /nfs/dbraw/zinc/36/12/84/939361284.db2.gz LEIDXBYQMRMMRQ-JKSUJKDBSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CCC[NH2+][C@@H](CC)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001267809119 939686789 /nfs/dbraw/zinc/68/67/89/939686789.db2.gz FWMGBYZIBVITAW-HNNXBMFYSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001268116419 939950783 /nfs/dbraw/zinc/95/07/83/939950783.db2.gz NOYOUOLLTFWLNG-HOTGVXAUSA-N 2 0 309.454 0.708 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001268325575 940060715 /nfs/dbraw/zinc/06/07/15/940060715.db2.gz ACFBVPNNTJFOSA-MRXNPFEDSA-N 2 0 307.438 0.198 20 30 DCEDRP C#CCNC(=O)CN1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001481746793 940106560 /nfs/dbraw/zinc/10/65/60/940106560.db2.gz IWSZSRBTNCGWIY-OAHLLOKOSA-N 2 0 322.453 0.000 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]C[C@H]2CCOC2)CC1 ZINC001268427451 940118304 /nfs/dbraw/zinc/11/83/04/940118304.db2.gz XKERKRNKRVTHIS-JKSUJKDBSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]C[C@H]2CCOC2)CC1 ZINC001268427448 940118576 /nfs/dbraw/zinc/11/85/76/940118576.db2.gz XKERKRNKRVTHIS-HZPDHXFCSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CCN1C[C@@]2(CC[N@@H+](CC3CC[NH+](CC)CC3)C2)OCC1=O ZINC001273144191 945324825 /nfs/dbraw/zinc/32/48/25/945324825.db2.gz OIKXQEFWDUNBMA-SFHVURJKSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CCN1C[C@@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001273145357 945327827 /nfs/dbraw/zinc/32/78/27/945327827.db2.gz WJWKWVUXBDMNGC-RDJZCZTQSA-N 2 0 305.422 0.265 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C2(CNC(=O)[C@H]3CCC[N@H+]3C)CC2)C1=O ZINC001269388141 940697759 /nfs/dbraw/zinc/69/77/59/940697759.db2.gz GOHGLVGUBDVGQY-ZIAGYGMSSA-N 2 0 320.437 0.106 20 30 DCEDRP C=CCOCC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001269415595 940701889 /nfs/dbraw/zinc/70/18/89/940701889.db2.gz GACNKYCMHMFAMH-HNNXBMFYSA-N 2 0 307.438 0.769 20 30 DCEDRP C#CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001270345629 940885020 /nfs/dbraw/zinc/88/50/20/940885020.db2.gz ISWNXAOFHZBHNZ-CVEARBPZSA-N 2 0 321.465 0.635 20 30 DCEDRP C#CCN(C(=O)C[N@@H+](C)CCC)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001270358564 940886849 /nfs/dbraw/zinc/88/68/49/940886849.db2.gz KTNZFMGCXOQRCK-OAHLLOKOSA-N 2 0 309.454 0.635 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001270842226 941009382 /nfs/dbraw/zinc/00/93/82/941009382.db2.gz XAQJZKHNGWZBGO-KRWDZBQOSA-N 2 0 322.453 0.213 20 30 DCEDRP C#CC[NH2+][C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)C(C)C ZINC001271836856 941462362 /nfs/dbraw/zinc/46/23/62/941462362.db2.gz FYOVFARFJKWOFR-OAHLLOKOSA-N 2 0 305.426 0.422 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001271956040 941491146 /nfs/dbraw/zinc/49/11/46/941491146.db2.gz AJMAUVJRCXLYEY-SJLPKXTDSA-N 2 0 319.449 0.295 20 30 DCEDRP C=C(Cl)C[NH2+]CCN(CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001272295327 942671778 /nfs/dbraw/zinc/67/17/78/942671778.db2.gz PEMLTBOLAMKMAX-ZDUSSCGKSA-N 2 0 303.834 0.491 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001484025585 943086046 /nfs/dbraw/zinc/08/60/46/943086046.db2.gz MTIHGWSYGTXLND-MRXNPFEDSA-N 2 0 306.454 0.180 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001484243194 943249214 /nfs/dbraw/zinc/24/92/14/943249214.db2.gz UDQOFSNUWJCIOL-QGZVFWFLSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@H+](CC=C)C2)CC1 ZINC001484251573 943263733 /nfs/dbraw/zinc/26/37/33/943263733.db2.gz FUAODUUPNJVEKH-QGZVFWFLSA-N 2 0 305.422 0.071 20 30 DCEDRP C#CCC[NH2+]C1CCN(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001484422094 943368228 /nfs/dbraw/zinc/36/82/28/943368228.db2.gz PNIPSFOGXOORRK-INIZCTEOSA-N 2 0 308.470 0.520 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001490904806 943597305 /nfs/dbraw/zinc/59/73/05/943597305.db2.gz VVAHVYYYWXROPS-WKILWMFISA-N 2 0 319.449 0.749 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001484887161 943613675 /nfs/dbraw/zinc/61/36/75/943613675.db2.gz FVRPHPNKRCFUMN-GOEBONIOSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001484955088 943636638 /nfs/dbraw/zinc/63/66/38/943636638.db2.gz ZRFRVTCBLRNWGF-OAHLLOKOSA-N 2 0 309.454 0.990 20 30 DCEDRP C[NH+]1CCC(C[NH+]2CC3(C2)COCC(=O)N3CCCC#N)CC1 ZINC001272887487 944302337 /nfs/dbraw/zinc/30/23/37/944302337.db2.gz FQEFLQOYNJIFLP-UHFFFAOYSA-N 2 0 320.437 0.545 20 30 DCEDRP C[NH+](C)CCCC(=O)NC[C@@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001486030359 944510684 /nfs/dbraw/zinc/51/06/84/944510684.db2.gz SJBYMBNQIHNEGS-KRWDZBQOSA-N 2 0 317.433 0.447 20 30 DCEDRP C#CC[NH2+][C@H](CO)CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001486050071 944533074 /nfs/dbraw/zinc/53/30/74/944533074.db2.gz KPMQHFDERRRKMK-JKSUJKDBSA-N 2 0 303.406 0.379 20 30 DCEDRP C#CCNC(=O)C[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001316869998 944604974 /nfs/dbraw/zinc/60/49/74/944604974.db2.gz KYEKKHAISWFIKT-OAHLLOKOSA-N 2 0 322.453 0.048 20 30 DCEDRP COCC#CCN1CCC[C@H](NC(=O)Cn2cncc2C)[C@@H]1C ZINC001486175443 944623046 /nfs/dbraw/zinc/62/30/46/944623046.db2.gz DMINIKFSEJTDRE-HOTGVXAUSA-N 2 0 318.421 0.810 20 30 DCEDRP C=CCCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001486277926 944688425 /nfs/dbraw/zinc/68/84/25/944688425.db2.gz JVSXVHAAHNZCCR-JKSUJKDBSA-N 2 0 309.454 0.703 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001318525528 945393491 /nfs/dbraw/zinc/39/34/91/945393491.db2.gz XQXSUMWCCHAQRZ-HUUCEWRRSA-N 2 0 322.453 0.093 20 30 DCEDRP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001318854613 945454904 /nfs/dbraw/zinc/45/49/04/945454904.db2.gz KTINEXLTFQBFIZ-IRXDYDNUSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246768491 945486929 /nfs/dbraw/zinc/48/69/29/945486929.db2.gz OSUACTBFHNRBGY-BQFCYCMXSA-N 2 0 321.465 0.907 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)C1=O ZINC001319525196 945611631 /nfs/dbraw/zinc/61/16/31/945611631.db2.gz MJVQEMVBVOTCLY-UONOGXRCSA-N 2 0 310.442 0.162 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001278543099 945652481 /nfs/dbraw/zinc/65/24/81/945652481.db2.gz XOHQSLGTOJBGOR-WMLDXEAASA-N 2 0 324.469 0.457 20 30 DCEDRP C=C[C@@](C)(O)C[NH2+]CC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001252580795 945968537 /nfs/dbraw/zinc/96/85/37/945968537.db2.gz UCBYALSHSAFZIF-QGZVFWFLSA-N 2 0 309.454 0.990 20 30 DCEDRP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001321400622 946313031 /nfs/dbraw/zinc/31/30/31/946313031.db2.gz CXOKLQHJCBYWQR-ITDFMYJTSA-N 2 0 315.845 0.969 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1oc(C)nc1C ZINC001321543077 946372612 /nfs/dbraw/zinc/37/26/12/946372612.db2.gz FAZTUEJTFATBPL-DOMZBBRYSA-N 2 0 318.421 0.983 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001278946083 946642365 /nfs/dbraw/zinc/64/23/65/946642365.db2.gz UISOIYDPVMJWOG-HUUCEWRRSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001323051936 946916649 /nfs/dbraw/zinc/91/66/49/946916649.db2.gz PLBNZERQLJBNSB-MRXNPFEDSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001323541567 947120838 /nfs/dbraw/zinc/12/08/38/947120838.db2.gz JNBXDJUSKRVDLR-UONOGXRCSA-N 2 0 322.453 0.257 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001324096727 947313186 /nfs/dbraw/zinc/31/31/86/947313186.db2.gz DKXDVLZGDUKHFE-HZPDHXFCSA-N 2 0 309.454 0.946 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)CC1 ZINC001262174468 947591622 /nfs/dbraw/zinc/59/16/22/947591622.db2.gz VSENGLPDUDAYIL-UHFFFAOYSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[N@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001273456639 947738011 /nfs/dbraw/zinc/73/80/11/947738011.db2.gz KWZKMANNLZZEMY-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001325450513 947798790 /nfs/dbraw/zinc/79/87/90/947798790.db2.gz QICGVQRUMLERJU-LSDHHAIUSA-N 2 0 317.437 0.518 20 30 DCEDRP CC#CC[NH2+]C1CCN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001325806876 947929345 /nfs/dbraw/zinc/92/93/45/947929345.db2.gz WYCDNOACDKWWAI-QGZVFWFLSA-N 2 0 322.497 0.766 20 30 DCEDRP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC#CCOC)C1)[NH+](C)C ZINC001326362090 948139413 /nfs/dbraw/zinc/13/94/13/948139413.db2.gz ADALNDQNYMKFMM-CVEARBPZSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001493129320 948610777 /nfs/dbraw/zinc/61/07/77/948610777.db2.gz AJBRRQKBNRQWII-CABCVRRESA-N 2 0 322.453 0.306 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001327777423 948623847 /nfs/dbraw/zinc/62/38/47/948623847.db2.gz FQXPVMRKRWVNCI-ZNMIVQPWSA-N 2 0 324.469 0.598 20 30 DCEDRP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001273885870 948655590 /nfs/dbraw/zinc/65/55/90/948655590.db2.gz QHEABIMRXSULIJ-KRWDZBQOSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001273883360 948655928 /nfs/dbraw/zinc/65/59/28/948655928.db2.gz AHHOCVURUJDUFM-QGZVFWFLSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001273909818 948674347 /nfs/dbraw/zinc/67/43/47/948674347.db2.gz BIDLJWHDGSVUMG-DOTOQJQBSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001328196507 948740229 /nfs/dbraw/zinc/74/02/29/948740229.db2.gz KSBFGIAVPNHKRG-UHFFFAOYSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1OCC ZINC001263970405 948817204 /nfs/dbraw/zinc/81/72/04/948817204.db2.gz UCYOGSCGUGLBFM-IXDOHACOSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCOCC[NH2+][C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001264436723 948977890 /nfs/dbraw/zinc/97/78/90/948977890.db2.gz HFNYTTYAWDMNQX-SHTZXODSSA-N 2 0 307.438 0.769 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001488734231 949116585 /nfs/dbraw/zinc/11/65/85/949116585.db2.gz CISSJILSDMHRNV-APIJFGDWSA-N 2 0 322.453 0.113 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001265258648 949507798 /nfs/dbraw/zinc/50/77/98/949507798.db2.gz NRBXGIKLMPNEKJ-HZPDHXFCSA-N 2 0 306.454 0.084 20 30 DCEDRP COCC#CC[N@H+](C)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001265871835 950071246 /nfs/dbraw/zinc/07/12/46/950071246.db2.gz HNLVRABUAIIHSG-UHFFFAOYSA-N 2 0 321.465 0.950 20 30 DCEDRP COCC#CC[N@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001265978647 950228933 /nfs/dbraw/zinc/22/89/33/950228933.db2.gz SUKUEMXUVSSGHL-UHFFFAOYSA-N 2 0 309.454 0.950 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266154788 950425937 /nfs/dbraw/zinc/42/59/37/950425937.db2.gz FZPPPXWJARXAQA-KGLIPLIRSA-N 2 0 310.442 0.257 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001490306053 950516739 /nfs/dbraw/zinc/51/67/39/950516739.db2.gz MVRLXQYRURIHRZ-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH2+]C1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001279431314 950569497 /nfs/dbraw/zinc/56/94/97/950569497.db2.gz KYMRDQCATQVVIN-GDBMZVCRSA-N 2 0 306.454 0.130 20 30 DCEDRP C#CCC[NH+]1CCC[C@](CO)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001279508872 950607961 /nfs/dbraw/zinc/60/79/61/950607961.db2.gz HALIHUUEXRZDOG-RDJZCZTQSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001490549226 950812859 /nfs/dbraw/zinc/81/28/59/950812859.db2.gz CRUWYVPXPUEVHS-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC#CC)CCC2)CC1 ZINC001280545701 950933974 /nfs/dbraw/zinc/93/39/74/950933974.db2.gz QHHABBPJCFTVCM-UHFFFAOYSA-N 2 0 301.434 0.983 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001331297452 951062976 /nfs/dbraw/zinc/06/29/76/951062976.db2.gz RREGGWKJEBIRLK-IRXDYDNUSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)C[N@@H+](C)CC(C)(C)C)CCOCC1 ZINC001274003132 951316409 /nfs/dbraw/zinc/31/64/09/951316409.db2.gz VPZQJVYGRHWNEV-UHFFFAOYSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+]CC)CCOCC2)CC1 ZINC001274021345 951334187 /nfs/dbraw/zinc/33/41/87/951334187.db2.gz SXPRUPOSMUTTQP-UHFFFAOYSA-N 2 0 307.438 0.607 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC#CCOC ZINC001274075654 951400165 /nfs/dbraw/zinc/40/01/65/951400165.db2.gz FPVTYGSLEFDIMY-AWFCHZOYSA-N 2 0 307.438 0.773 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001332882510 951834557 /nfs/dbraw/zinc/83/45/57/951834557.db2.gz UGZHRKRITHONKQ-HNNXBMFYSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001332948231 951861303 /nfs/dbraw/zinc/86/13/03/951861303.db2.gz LLGDRPKHKSMXBR-UHFFFAOYSA-N 2 0 306.414 0.521 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)CCNC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC001340077525 953142214 /nfs/dbraw/zinc/14/22/14/953142214.db2.gz QDCBBRXYROPPBK-OAHLLOKOSA-N 2 0 310.442 0.243 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001480679110 953460399 /nfs/dbraw/zinc/46/03/99/953460399.db2.gz GSLBSMQRKOESDS-HOTGVXAUSA-N 2 0 307.438 0.416 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001282203532 953522213 /nfs/dbraw/zinc/52/22/13/953522213.db2.gz OMNYOKWBJHRESM-LSDHHAIUSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC#CCOC)CC1 ZINC001282243539 953531766 /nfs/dbraw/zinc/53/17/66/953531766.db2.gz XHMBVJQCWHJVAK-HZPDHXFCSA-N 2 0 319.449 0.464 20 30 DCEDRP COCC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001282678550 953644424 /nfs/dbraw/zinc/64/44/24/953644424.db2.gz VPRLTHSHLCEIJP-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C[NH+]1CCN(C)CC1 ZINC001346492057 953902172 /nfs/dbraw/zinc/90/21/72/953902172.db2.gz FPTZWQIOSQRFNK-GJZGRUSLSA-N 2 0 309.458 0.397 20 30 DCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001352849776 955794794 /nfs/dbraw/zinc/79/47/94/955794794.db2.gz MHGLVGXKEBYKSX-DCAQKATOSA-N 2 0 306.332 0.993 20 30 DCEDRP C[NH+](C)C[C@@](C)(O)C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001353327225 956020652 /nfs/dbraw/zinc/02/06/52/956020652.db2.gz HSQRVYPLNDPSQK-INIZCTEOSA-N 2 0 304.394 0.789 20 30 DCEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001354474710 956401310 /nfs/dbraw/zinc/40/13/10/956401310.db2.gz MWPKUESABGMQCG-OAGGEKHMSA-N 3 0 310.486 0.868 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001357900142 957399439 /nfs/dbraw/zinc/39/94/39/957399439.db2.gz ZNNIJNUKQVLWHH-UHFFFAOYSA-N 2 0 309.454 0.847 20 30 DCEDRP C=C(Br)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001491675283 959115806 /nfs/dbraw/zinc/11/58/06/959115806.db2.gz ZAVJYBDXHROFCG-QWRGUYRKSA-N 2 0 304.232 0.941 20 30 DCEDRP C#CCCN1CCO[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001495870335 959201801 /nfs/dbraw/zinc/20/18/01/959201801.db2.gz IVNLWDMNRYZHKC-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001394655538 993977490 /nfs/dbraw/zinc/97/74/90/993977490.db2.gz ITYRZCVQJNBCSO-VXGBXAGGSA-N 2 0 322.434 0.138 20 30 DCEDRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001394655532 993978193 /nfs/dbraw/zinc/97/81/93/993978193.db2.gz ITYRZCVQJNBCSO-NWDGAFQWSA-N 2 0 322.434 0.138 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001502877232 1016114542 /nfs/dbraw/zinc/11/45/42/1016114542.db2.gz GQGOUUKGBCFUHC-UHFFFAOYSA-N 2 0 319.449 0.581 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001502971006 1016141175 /nfs/dbraw/zinc/14/11/75/1016141175.db2.gz TYFDYSHSDARLGV-HZPDHXFCSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001505446591 1016250323 /nfs/dbraw/zinc/25/03/23/1016250323.db2.gz OKMSDINVZQZTCP-IAGOWNOFSA-N 2 0 321.465 0.901 20 30 DCEDRP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001505606969 1016351830 /nfs/dbraw/zinc/35/18/30/1016351830.db2.gz YNYWSUDSGLBTCF-ZIAGYGMSSA-N 2 0 305.426 0.564 20 30 DCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC001401546548 1000482805 /nfs/dbraw/zinc/48/28/05/1000482805.db2.gz AXVZJFLBZLHKNX-SMDDNHRTSA-N 2 0 322.434 0.281 20 30 DCEDRP C#CC[NH2+]C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C(C)(C)C ZINC001507940655 1016602677 /nfs/dbraw/zinc/60/26/77/1016602677.db2.gz YVSASAYSNIXCMK-OAHLLOKOSA-N 2 0 319.453 0.812 20 30 DCEDRP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC001403707502 1002395241 /nfs/dbraw/zinc/39/52/41/1002395241.db2.gz WADHFBKTNXFQGA-RISCZKNCSA-N 2 0 324.450 0.527 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001441968376 1008729150 /nfs/dbraw/zinc/72/91/50/1008729150.db2.gz DNVUWNADNPMKHC-HZSPNIEDSA-N 2 0 317.861 0.878 20 30 DCEDRP C=CCOCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001506624458 1017419611 /nfs/dbraw/zinc/41/96/11/1017419611.db2.gz UOLHWDYHBUTOAX-IIAWOOMASA-N 2 0 309.454 0.966 20 30 DCEDRP CC#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)CC[N@@H+](C)CC)n1 ZINC001479609606 1017601263 /nfs/dbraw/zinc/60/12/63/1017601263.db2.gz ZXWKQOQBQUVDOL-UHFFFAOYSA-N 2 0 319.409 0.253 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001479664398 1017641933 /nfs/dbraw/zinc/64/19/33/1017641933.db2.gz ZFQGNZZVPCPCJQ-IXDOHACOSA-N 2 0 319.449 0.511 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001499422772 1017924923 /nfs/dbraw/zinc/92/49/23/1017924923.db2.gz YEBWDZWBBCFEIQ-HZPDHXFCSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCN(CC)C(=O)C[NH+]2CCCC2)C1=O ZINC001497495297 1018169179 /nfs/dbraw/zinc/16/91/79/1018169179.db2.gz CMXXPMZYZIESSY-HNNXBMFYSA-N 2 0 322.453 0.307 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001480111124 1018213206 /nfs/dbraw/zinc/21/32/06/1018213206.db2.gz BVBFNFRUNIIFML-KGLIPLIRSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CC[NH+]1CCC(C)(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001500462970 1018459908 /nfs/dbraw/zinc/45/99/08/1018459908.db2.gz RSWLYXPIDVXTHM-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001480665092 1018755644 /nfs/dbraw/zinc/75/56/44/1018755644.db2.gz ITDODQCLKRDOGM-CVEARBPZSA-N 2 0 307.438 0.416 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001480701368 1018789254 /nfs/dbraw/zinc/78/92/54/1018789254.db2.gz KRXJLOWDOHEUJP-SJORKVTESA-N 2 0 321.465 0.995 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001493113042 1019112476 /nfs/dbraw/zinc/11/24/76/1019112476.db2.gz WSCJQNRSITWUMD-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP Cc1cccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1C#N ZINC000420451036 240030947 /nfs/dbraw/zinc/03/09/47/240030947.db2.gz HVJMXKFNBGPFTH-UHFFFAOYSA-N 2 0 310.423 0.555 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000491781343 533103941 /nfs/dbraw/zinc/10/39/41/533103941.db2.gz JWWBNSDKQBPLNT-UHFFFAOYSA-N 2 0 310.442 0.352 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000458317217 397429481 /nfs/dbraw/zinc/42/94/81/397429481.db2.gz BIXFUMRXZWUGPL-MRXNPFEDSA-N 2 0 324.469 0.783 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000114181187 415721658 /nfs/dbraw/zinc/72/16/58/415721658.db2.gz ZBSOQARDBQRCOP-INIZCTEOSA-N 2 0 320.481 0.331 20 30 DCEDRP C=CCN1CC[C@H]([NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C1=O ZINC000333854758 415750891 /nfs/dbraw/zinc/75/08/91/415750891.db2.gz OHHHVQDLLIFUAI-PMPSAXMXSA-N 2 0 307.438 0.992 20 30 DCEDRP C[NH+](C)CC1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000354434055 415797682 /nfs/dbraw/zinc/79/76/82/415797682.db2.gz QWTZJPKQSKESKQ-UHFFFAOYSA-N 2 0 305.426 0.916 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000355130488 415852578 /nfs/dbraw/zinc/85/25/78/415852578.db2.gz JSUSFQRXNATVDJ-CQSZACIVSA-N 2 0 320.437 0.106 20 30 DCEDRP C[NH+]1CCC(O)(CNC(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000329528428 416174467 /nfs/dbraw/zinc/17/44/67/416174467.db2.gz SQDQHLFQABPGPQ-UHFFFAOYSA-N 2 0 324.469 0.821 20 30 DCEDRP C#CCNC(=O)CC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000491809421 416631595 /nfs/dbraw/zinc/63/15/95/416631595.db2.gz XJMKBKLQRQMOTO-INIZCTEOSA-N 2 0 306.454 0.226 20 30 DCEDRP C=CC[C@@]1(C(=O)NCCCN2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000662758733 417895443 /nfs/dbraw/zinc/89/54/43/417895443.db2.gz SGOAXYQUQRCTQO-KRWDZBQOSA-N 2 0 308.470 0.829 20 30 DCEDRP C=CC[C@@]1(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CCC[NH2+]1 ZINC000662783225 417901277 /nfs/dbraw/zinc/90/12/77/417901277.db2.gz CSDVWDGDFRTDBY-PBHICJAKSA-N 2 0 307.438 0.899 20 30 DCEDRP C=CC[C@@]1(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CCC[NH2+]1 ZINC000662815440 417914697 /nfs/dbraw/zinc/91/46/97/417914697.db2.gz UFLPGNYBDMYDRR-ZBFHGGJFSA-N 2 0 318.425 0.599 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nnc2n1CCCCC2 ZINC000104156324 276377976 /nfs/dbraw/zinc/37/79/76/276377976.db2.gz CWQLPWYZWXETSZ-ZDUSSCGKSA-N 2 0 319.457 0.893 20 30 DCEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NC[C@]1(C)CCCO1 ZINC000261753197 280841251 /nfs/dbraw/zinc/84/12/51/280841251.db2.gz MAUHFEAHANOFST-ZBFHGGJFSA-N 2 0 309.458 0.110 20 30 DCEDRP C[C@H](CNC(=O)NC1CC[NH+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000329670786 289394685 /nfs/dbraw/zinc/39/46/85/289394685.db2.gz RVAWJYFJAKYUTL-CQSZACIVSA-N 2 0 311.474 0.468 20 30 DCEDRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)nc2)CC1 ZINC000563061030 333226598 /nfs/dbraw/zinc/22/65/98/333226598.db2.gz VDYJNWVKZVAKIH-AWEZNQCLSA-N 2 0 316.409 0.793 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCN2CC[NH+](CC)CC2)CC1 ZINC000490650144 339836612 /nfs/dbraw/zinc/83/66/12/339836612.db2.gz LCWGUSKHNYCEGM-UHFFFAOYSA-N 2 0 306.454 0.085 20 30 DCEDRP COc1ccccc1CNC(=[NH2+])NC[C@H]1C[N@H+](C)CCN1C ZINC000267412801 534078457 /nfs/dbraw/zinc/07/84/57/534078457.db2.gz INLXLRUGWAUQSQ-AWEZNQCLSA-N 2 0 305.426 0.345 20 30 DCEDRP COC(=O)[C@@H](C)C[NH+](C)CC#CC[N@@H+](C)C[C@H](C)C(=O)OC ZINC000276297682 534210815 /nfs/dbraw/zinc/21/08/15/534210815.db2.gz JGYYQLWBTIVRFJ-KBPBESRZSA-N 2 0 312.410 0.472 20 30 DCEDRP C[NH+]=C(NCC1(CO)CCOCC1)NC1CC[NH+](C2CC2)CC1 ZINC000262034244 526350208 /nfs/dbraw/zinc/35/02/08/526350208.db2.gz SPZRARXKKXLWIF-UHFFFAOYSA-N 2 0 324.469 0.567 20 30 DCEDRP C[NH+]=C(NCCN1CCC[N@H+](C)CC1)NC[C@@H]1CCCS1 ZINC000261963387 526356089 /nfs/dbraw/zinc/35/60/89/526356089.db2.gz KUORGQAXRGXLMV-AWEZNQCLSA-N 2 0 313.515 0.685 20 30 DCEDRP C[NH+]=C(NCCNC(=O)C(C)(C)C)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262795210 526359012 /nfs/dbraw/zinc/35/90/12/526359012.db2.gz PGMYGVYECGXAIX-AWEZNQCLSA-N 2 0 321.469 0.670 20 30 DCEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261878149 526372701 /nfs/dbraw/zinc/37/27/01/526372701.db2.gz VYXOEMGEQKGZPX-MGPQQGTHSA-N 2 0 311.474 0.211 20 30 DCEDRP C[NH+]=C(NC[C@H](C)N1CC[NH+](C)CC1)N(C)C[C@H]1CCOC1 ZINC000156105007 526374452 /nfs/dbraw/zinc/37/44/52/526374452.db2.gz RMLAXXBPWBYDBM-LSDHHAIUSA-N 2 0 311.474 0.166 20 30 DCEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261843717 526377851 /nfs/dbraw/zinc/37/78/51/526377851.db2.gz WWVIKNNAUJGKRU-HIFRSBDPSA-N 2 0 320.441 0.321 20 30 DCEDRP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN(C)CCO3)[C@@H]2C1 ZINC000977955749 660461426 /nfs/dbraw/zinc/46/14/26/660461426.db2.gz NLLMUZZKJPXESB-FQUUOJAGSA-N 2 0 313.829 0.364 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000978151857 660490875 /nfs/dbraw/zinc/49/08/75/660490875.db2.gz AGXKVUFSOYLWIN-VQHPVUNQSA-N 2 0 301.434 0.646 20 30 DCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)N2CCOCC2)C1 ZINC000980454775 660945505 /nfs/dbraw/zinc/94/55/05/660945505.db2.gz YVXSJLCINMIURG-JKSUJKDBSA-N 2 0 305.422 0.263 20 30 DCEDRP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000981209018 661101403 /nfs/dbraw/zinc/10/14/03/661101403.db2.gz DLFLWHMJOJXPCO-JKSUJKDBSA-N 2 0 307.438 0.960 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCOC)C2 ZINC000981818786 661222458 /nfs/dbraw/zinc/22/24/58/661222458.db2.gz DHPZGDPYTFFCJZ-INIZCTEOSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cscn2)C1 ZINC001022222271 657570747 /nfs/dbraw/zinc/57/07/47/657570747.db2.gz XESCQDRGGNZEOA-GUTXKFCHSA-N 2 0 318.446 0.978 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC000970717223 657824542 /nfs/dbraw/zinc/82/45/42/657824542.db2.gz LTFOEGIEURRRLP-CABCVRRESA-N 2 0 320.437 0.060 20 30 DCEDRP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001023447077 657876271 /nfs/dbraw/zinc/87/62/71/657876271.db2.gz FIXMBKOBORANOX-CABCVRRESA-N 2 0 300.406 0.907 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000891921764 657917656 /nfs/dbraw/zinc/91/76/56/657917656.db2.gz VDTHPPVHOAZXOF-UHFFFAOYSA-N 2 0 310.442 0.399 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023552281 657982474 /nfs/dbraw/zinc/98/24/74/657982474.db2.gz CMOAXAYIQWTJMN-IAGOWNOFSA-N 2 0 321.465 0.947 20 30 DCEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971968820 658104551 /nfs/dbraw/zinc/10/45/51/658104551.db2.gz IEVPDLMHHJRMKX-NDUQDZPOSA-N 2 0 319.449 0.958 20 30 DCEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001023757867 658210432 /nfs/dbraw/zinc/21/04/32/658210432.db2.gz PIACNYPSAITNQD-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001020722097 658424667 /nfs/dbraw/zinc/42/46/67/658424667.db2.gz WWGKYSXZBWCHSY-SHTZXODSSA-N 2 0 305.426 0.871 20 30 DCEDRP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CC[NH+](C)CC1 ZINC001032705722 665619411 /nfs/dbraw/zinc/61/94/11/665619411.db2.gz HGCSZWUIPFXNRE-GJZGRUSLSA-N 2 0 307.438 0.958 20 30 DCEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022122206 658878407 /nfs/dbraw/zinc/87/84/07/658878407.db2.gz RAIVTHTYOWBEEX-XJFOESAGSA-N 2 0 313.829 0.839 20 30 DCEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001027464813 659546184 /nfs/dbraw/zinc/54/61/84/659546184.db2.gz QQSGLZKXVXIYNC-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025798624 659565693 /nfs/dbraw/zinc/56/56/93/659565693.db2.gz ATDLJUXFLGAFNF-OWYFMNJBSA-N 2 0 305.422 0.472 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](C[C@H](C)O)CC2(C)C)CC1 ZINC000977635291 659791759 /nfs/dbraw/zinc/79/17/59/659791759.db2.gz AJCFZGRWJNHIOM-HOCLYGCPSA-N 2 0 321.465 0.539 20 30 DCEDRP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000982150398 661298425 /nfs/dbraw/zinc/29/84/25/661298425.db2.gz DWOYPUTUFFMUKD-MRXNPFEDSA-N 2 0 319.449 0.512 20 30 DCEDRP C#CCN1CCC[C@@H](NC(=O)N[C@@H](CC)CN2CCOCC2)C1 ZINC000924034930 661390221 /nfs/dbraw/zinc/39/02/21/661390221.db2.gz GFDHOCNKCWLAKW-JKSUJKDBSA-N 2 0 322.453 0.494 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001028333177 661462140 /nfs/dbraw/zinc/46/21/40/661462140.db2.gz FHGKWGYKYXJVNW-QGZVFWFLSA-N 2 0 301.434 0.936 20 30 DCEDRP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CN(CC)CCO3)C[C@@]2(C)C1 ZINC000982819600 661682528 /nfs/dbraw/zinc/68/25/28/661682528.db2.gz HKKFCVWEWQOZSQ-RYQLBKOJSA-N 2 0 319.449 0.511 20 30 DCEDRP CC[NH+]=C(NCc1nc(C)no1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261819950 661727532 /nfs/dbraw/zinc/72/75/32/661727532.db2.gz UJMDMHZWYHMTGO-GXFFZTMASA-N 2 0 306.414 0.916 20 30 DCEDRP C[NH+]=C(NC[C@@H]1COCCO1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000262022601 661965139 /nfs/dbraw/zinc/96/51/39/661965139.db2.gz ZCSHTOIPJDJZTN-ZNMIVQPWSA-N 2 0 321.425 0.757 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000900023318 663210310 /nfs/dbraw/zinc/21/03/10/663210310.db2.gz JZMKNFQISAMQHB-UHFFFAOYSA-N 2 0 308.470 0.734 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000900574671 663256057 /nfs/dbraw/zinc/25/60/57/663256057.db2.gz MHWCJOVRTSUWSR-UHFFFAOYSA-N 2 0 324.469 0.507 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCO)CC2(C)C)CC1 ZINC000941237572 665954674 /nfs/dbraw/zinc/95/46/74/665954674.db2.gz PDMFRMTXFTXJOZ-MRXNPFEDSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001032529906 665312294 /nfs/dbraw/zinc/31/22/94/665312294.db2.gz ZYDSVHSBEOKYQW-BFKWJSRZSA-N 2 0 315.417 0.158 20 30 DCEDRP C=CC[N@H+]1CC=C(CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001001251316 666023267 /nfs/dbraw/zinc/02/32/67/666023267.db2.gz CWRUNRWPNUYXKR-UHFFFAOYSA-N 2 0 317.437 0.993 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001001925661 666112886 /nfs/dbraw/zinc/11/28/86/666112886.db2.gz RVCJDXYDJWRJLZ-UHFFFAOYSA-N 2 0 317.437 0.520 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033278130 666658947 /nfs/dbraw/zinc/65/89/47/666658947.db2.gz MDNIVWLPLMVGHN-GARNVTTQSA-N 2 0 319.449 0.958 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1(C)C ZINC000995814115 666709196 /nfs/dbraw/zinc/70/91/96/666709196.db2.gz QFDKWHQGNFRZNQ-OAHLLOKOSA-N 2 0 317.437 0.518 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001034045760 666907050 /nfs/dbraw/zinc/90/70/50/666907050.db2.gz MQDCDSUXFUUBCX-QGZVFWFLSA-N 2 0 301.434 0.888 20 30 DCEDRP CC[NH+]=C(NC[C@@H](O)C(F)(F)F)NC[C@@H]1CCC[N@@H+]1CC ZINC000864236618 667226179 /nfs/dbraw/zinc/22/61/79/667226179.db2.gz RDAOTYAASZVGOT-WDEREUQCSA-N 2 0 310.364 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]C[C@@H](C)O)CC2)CC1 ZINC000997365435 667260040 /nfs/dbraw/zinc/26/00/40/667260040.db2.gz UXQRFVZFDWIFKG-CQSZACIVSA-N 2 0 307.438 0.293 20 30 DCEDRP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001032473424 667296968 /nfs/dbraw/zinc/29/69/68/667296968.db2.gz QBPWQSMNYYUUMO-FXUDXRNXSA-N 2 0 307.438 0.957 20 30 DCEDRP C#CCN1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000884197731 667495344 /nfs/dbraw/zinc/49/53/44/667495344.db2.gz CRELHUYXIZJVMJ-LSDHHAIUSA-N 2 0 304.438 0.868 20 30 DCEDRP CC(C)[N@@H+]1CC[C@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884198815 667496165 /nfs/dbraw/zinc/49/61/65/667496165.db2.gz HUHSFUCDWUKQEV-GJEMEMOUSA-N 2 0 304.438 0.972 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884249804 667508748 /nfs/dbraw/zinc/50/87/48/667508748.db2.gz RQRQTTRTCNVADU-USWWRNFRSA-N 2 0 323.194 0.677 20 30 DCEDRP C#CCN1CCC[C@@H](NC(=O)CCCCN2CCOCC2)C1 ZINC000923564107 667565495 /nfs/dbraw/zinc/56/54/95/667565495.db2.gz NBAIVDRUJDJPIL-MRXNPFEDSA-N 2 0 307.438 0.703 20 30 DCEDRP N#Cc1cccc(C[N@H+]2CC[C@H](N3C(=O)O[C@@H]4C[NH2+]C[C@@H]43)C2)c1 ZINC000872257151 667882634 /nfs/dbraw/zinc/88/26/34/667882634.db2.gz LWUKVPDYZPRCND-HRCADAONSA-N 2 0 312.373 0.925 20 30 DCEDRP N#Cc1ccc(NCC[NH2+][C@H]2[C@@H]3COC[C@H]2C[C@@H]([NH3+])C3)nc1 ZINC000925892826 668354627 /nfs/dbraw/zinc/35/46/27/668354627.db2.gz FZEQLIYCWOAFLG-FXDBZKHDSA-N 2 0 301.394 0.707 20 30 DCEDRP [NH3+]C[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[C@H]1C(F)(F)F ZINC000877019483 668552877 /nfs/dbraw/zinc/55/28/77/668552877.db2.gz YMVICVLRPLORDZ-QWHCGFSZSA-N 2 0 317.355 0.975 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000948825394 670188108 /nfs/dbraw/zinc/18/81/08/670188108.db2.gz CSJQNFYUUKYYRZ-IRXDYDNUSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CCC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000949526163 670361963 /nfs/dbraw/zinc/36/19/63/670361963.db2.gz HCTSZOZTTBCCKS-MRXNPFEDSA-N 2 0 319.449 0.655 20 30 DCEDRP C[NH+]=C(NCCN1CCOCC1)NCC1(C)CC[NH+](C)CC1 ZINC000849016575 670749561 /nfs/dbraw/zinc/74/95/61/670749561.db2.gz SJYULPKFWMEIHE-UHFFFAOYSA-N 2 0 311.474 0.216 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000852872024 671181693 /nfs/dbraw/zinc/18/16/93/671181693.db2.gz GTPTZKYJAXLLTC-MRXNPFEDSA-N 2 0 305.422 0.170 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2C[C@@H](C)O)CC1 ZINC001024812403 693836185 /nfs/dbraw/zinc/83/61/85/693836185.db2.gz OJHNPWQBAFMATF-WBVHZDCISA-N 2 0 321.465 0.683 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOC[C@H]1CCOC1 ZINC000304761834 685212251 /nfs/dbraw/zinc/21/22/51/685212251.db2.gz UYSGLZSNGIUSKL-HUUCEWRRSA-N 2 0 312.458 0.818 20 30 DCEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000304824669 685212314 /nfs/dbraw/zinc/21/23/14/685212314.db2.gz FWSRGSPZAVMTTA-GJZGRUSLSA-N 3 0 313.490 0.732 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CC(=C)C)C[C@@H]2O)CC1 ZINC000958724589 687878369 /nfs/dbraw/zinc/87/83/69/687878369.db2.gz QMQMDYXJNNMNSC-IRXDYDNUSA-N 2 0 319.449 0.317 20 30 DCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc(C)[nH]c2C1 ZINC000960653482 688432108 /nfs/dbraw/zinc/43/21/08/688432108.db2.gz ZRVSRFCUBVSNDI-SZOQZIPDSA-N 2 0 312.417 0.893 20 30 DCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C(C)C)CCO1 ZINC000961583259 688662150 /nfs/dbraw/zinc/66/21/50/688662150.db2.gz UIHULCSQPKVCFJ-XUWVNRHRSA-N 2 0 305.422 0.165 20 30 DCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000968907061 690420965 /nfs/dbraw/zinc/42/09/65/690420965.db2.gz CYUWWHOOUDGBIB-ZBFHGGJFSA-N 2 0 305.422 0.454 20 30 DCEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007987489 690784123 /nfs/dbraw/zinc/78/41/23/690784123.db2.gz CDAAHWDCUVJOIH-BNQMIIOLSA-N 2 0 317.433 0.454 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007987490 690784209 /nfs/dbraw/zinc/78/42/09/690784209.db2.gz CDAAHWDCUVJOIH-GARNVTTQSA-N 2 0 317.433 0.454 20 30 DCEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015827043 692458747 /nfs/dbraw/zinc/45/87/47/692458747.db2.gz MANFJGNMWTZTTR-OAHLLOKOSA-N 2 0 305.426 0.825 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@H]3CCOC3)C2)CC1 ZINC001016330475 692654630 /nfs/dbraw/zinc/65/46/30/692654630.db2.gz GSECATUKCQYXEU-NVXWUHKLSA-N 2 0 319.449 0.559 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001073661692 694761527 /nfs/dbraw/zinc/76/15/27/694761527.db2.gz BSSQWVFYEJZVKO-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001076999468 695122134 /nfs/dbraw/zinc/12/21/34/695122134.db2.gz SUIIYSVNQTUYOK-HUUCEWRRSA-N 2 0 309.454 0.988 20 30 DCEDRP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001570530298 1162537066 /nfs/dbraw/zinc/53/70/66/1162537066.db2.gz IORHMPIIGPSSBX-OAHLLOKOSA-N 2 0 317.437 0.614 20 30 DCEDRP COCC#CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001570805742 1162623613 /nfs/dbraw/zinc/62/36/13/1162623613.db2.gz JEAJTINOOVRKMR-INIZCTEOSA-N 2 0 321.465 0.997 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1(C)C ZINC001571563402 1162813292 /nfs/dbraw/zinc/81/32/92/1162813292.db2.gz JITWNDQLGUWGSH-CVEARBPZSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCOC(C)C)CC1 ZINC001772517037 1157408800 /nfs/dbraw/zinc/40/88/00/1157408800.db2.gz IMGVEDLDSBEVDW-HNNXBMFYSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CC ZINC001670586910 1157466051 /nfs/dbraw/zinc/46/60/51/1157466051.db2.gz CIBDIUHLBISXKL-HUUCEWRRSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001691101093 1157581267 /nfs/dbraw/zinc/58/12/67/1157581267.db2.gz OWHNXCZSXXNPNU-GASCZTMLSA-N 2 0 307.438 0.462 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001691146587 1157595130 /nfs/dbraw/zinc/59/51/30/1157595130.db2.gz AUDSTXHJKLIYOX-DJIMGWMZSA-N 2 0 319.449 0.462 20 30 DCEDRP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001691528983 1158216911 /nfs/dbraw/zinc/21/69/11/1158216911.db2.gz VMOSFHFYCBBGMD-DLBZAZTESA-N 2 0 319.449 0.247 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001672712388 1158622491 /nfs/dbraw/zinc/62/24/91/1158622491.db2.gz GFJVMZSATQFUQP-KRWDZBQOSA-N 2 0 323.481 0.931 20 30 DCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001214655355 1159116943 /nfs/dbraw/zinc/11/69/43/1159116943.db2.gz GVOWNJBKOUKOQS-GDBMZVCRSA-N 2 0 317.437 0.518 20 30 DCEDRP CC[N@@H+](CC#CCOC)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001566550289 1160052621 /nfs/dbraw/zinc/05/26/21/1160052621.db2.gz GNRMCZNHDXHPHB-KRWDZBQOSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001567130304 1160251344 /nfs/dbraw/zinc/25/13/44/1160251344.db2.gz HGOFAZKSNMICLD-INIZCTEOSA-N 2 0 319.449 0.703 20 30 DCEDRP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001567202755 1160272003 /nfs/dbraw/zinc/27/20/03/1160272003.db2.gz KCCIGUJFBLKQTJ-IRXDYDNUSA-N 2 0 321.465 0.901 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC#CCOC ZINC001568277370 1160619042 /nfs/dbraw/zinc/61/90/42/1160619042.db2.gz WUJTZQYRBVUOIJ-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001569819576 1161264368 /nfs/dbraw/zinc/26/43/68/1161264368.db2.gz MTJBZXPGVKEFIV-KBPBESRZSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC001569837222 1161283295 /nfs/dbraw/zinc/28/32/95/1161283295.db2.gz MKAVACLMFSXOFF-LSDHHAIUSA-N 2 0 317.437 0.376 20 30 DCEDRP C=CCNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001570200917 1161491164 /nfs/dbraw/zinc/49/11/64/1161491164.db2.gz LLJRMCZWQKVJKP-HNNXBMFYSA-N 2 0 324.469 0.553 20 30 DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001570289184 1161546542 /nfs/dbraw/zinc/54/65/42/1161546542.db2.gz JPCBIHYVKDFTRU-RDJZCZTQSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC001574603840 1163734413 /nfs/dbraw/zinc/73/44/13/1163734413.db2.gz GAVPPSZXLPDMNX-KRWDZBQOSA-N 2 0 310.401 0.816 20 30 DCEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)NC2(C#N)CCC2)CC1 ZINC001618618620 1171398097 /nfs/dbraw/zinc/39/80/97/1171398097.db2.gz AGLCDMHSCQKWFP-UHFFFAOYSA-N 2 0 321.469 0.555 20 30 DCEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001656412360 1173859917 /nfs/dbraw/zinc/85/99/17/1173859917.db2.gz XKBAXMHMXGLDIG-JKSUJKDBSA-N 2 0 319.453 0.832 20 30 DCEDRP C=C(C)C[N@H+](CCO)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001656784005 1173885008 /nfs/dbraw/zinc/88/50/08/1173885008.db2.gz IGRJVINJHODXGQ-MRXNPFEDSA-N 2 0 321.465 0.944 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001657076409 1173905199 /nfs/dbraw/zinc/90/51/99/1173905199.db2.gz WODFEBRACJWLQX-INIZCTEOSA-N 2 0 309.454 0.901 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](CCO)C2CC2)CC1 ZINC001660753220 1174044481 /nfs/dbraw/zinc/04/44/81/1174044481.db2.gz OUXAXTWHSJDGIY-UHFFFAOYSA-N 2 0 307.438 0.295 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001661644886 1174143275 /nfs/dbraw/zinc/14/32/75/1174143275.db2.gz UBRRWTGIXWEHSD-ZNMIVQPWSA-N 2 0 322.453 0.352 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001662492849 1174213498 /nfs/dbraw/zinc/21/34/98/1174213498.db2.gz YJHHDTIJHLHIEM-SOUVJXGZSA-N 2 0 322.453 0.209 20 30 DCEDRP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001662685172 1174231391 /nfs/dbraw/zinc/23/13/91/1174231391.db2.gz DAFUIOGLXKIRBG-CVEARBPZSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001662686068 1174231772 /nfs/dbraw/zinc/23/17/72/1174231772.db2.gz VQFNFQRULLHVFJ-HUUCEWRRSA-N 2 0 322.453 0.069 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001666748252 1174634806 /nfs/dbraw/zinc/63/48/06/1174634806.db2.gz YCCVYAFLSLYNGG-HNNXBMFYSA-N 2 0 307.438 0.749 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001667493752 1174686652 /nfs/dbraw/zinc/68/66/52/1174686652.db2.gz NUMJLWXHOLJGAE-OAHLLOKOSA-N 2 0 324.469 0.361 20 30 DCEDRP C#CCC[NH2+][C@H](CNC(=O)COC1CC[NH+](C)CC1)C(C)C ZINC001667508711 1174687409 /nfs/dbraw/zinc/68/74/09/1174687409.db2.gz NCJDACUEPMYDQN-MRXNPFEDSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001668533728 1174807023 /nfs/dbraw/zinc/80/70/23/1174807023.db2.gz PFJDALDLPLXAML-GJZGRUSLSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCOCC)CCC2)CC1 ZINC001673242103 1175179723 /nfs/dbraw/zinc/17/97/23/1175179723.db2.gz OWXQYCSTBFEDOU-UHFFFAOYSA-N 2 0 321.465 0.997 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001673397239 1175200233 /nfs/dbraw/zinc/20/02/33/1175200233.db2.gz PRVCRVHCOKSTKD-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+]CC=C)CCOCC2)CC1 ZINC001673756566 1175232229 /nfs/dbraw/zinc/23/22/29/1175232229.db2.gz SUBFZDUMTYGXFZ-UHFFFAOYSA-N 2 0 319.449 0.773 20 30 DCEDRP C#CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001675614488 1175380194 /nfs/dbraw/zinc/38/01/94/1175380194.db2.gz PAFDVMCKJCOAPH-IRXDYDNUSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001675614489 1175380410 /nfs/dbraw/zinc/38/04/10/1175380410.db2.gz PAFDVMCKJCOAPH-SJORKVTESA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCOC)[C@H]2C)CC1 ZINC001676695303 1175477973 /nfs/dbraw/zinc/47/79/73/1175477973.db2.gz WNRJMVSYFPRCCL-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC#CC[NH+](C)C)C1 ZINC001685829316 1176043261 /nfs/dbraw/zinc/04/32/61/1176043261.db2.gz FFMVWAPXFUUQMQ-INIZCTEOSA-N 2 0 324.469 0.694 20 30 DCEDRP C=CCN1CC[C@@H]([N@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001689793585 1177044902 /nfs/dbraw/zinc/04/49/02/1177044902.db2.gz PIWVQCFMHKXOTR-LSDHHAIUSA-N 2 0 322.453 0.306 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001692131579 1177422243 /nfs/dbraw/zinc/42/22/43/1177422243.db2.gz DWFVXPZFOPHUQZ-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001698579938 1177567311 /nfs/dbraw/zinc/56/73/11/1177567311.db2.gz ZFCKDLHOIZBJSL-OAHLLOKOSA-N 2 0 307.438 0.653 20 30 DCEDRP COCC#CC[NH2+]C[C@](C)(NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001698650906 1177600533 /nfs/dbraw/zinc/60/05/33/1177600533.db2.gz FBMNRJIGGXUTEP-QAPCUYQASA-N 2 0 321.465 0.853 20 30 DCEDRP CC#CC[NH2+]C[C@H](C)N(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001698847956 1177692313 /nfs/dbraw/zinc/69/23/13/1177692313.db2.gz LQVVQELIUPJBBC-AWEZNQCLSA-N 2 0 305.426 0.518 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001699590854 1178209117 /nfs/dbraw/zinc/20/91/17/1178209117.db2.gz WWLSHNXODIWGRX-GDBMZVCRSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]C[C@H](C)O)C2CC2)CC1 ZINC001699603593 1178213820 /nfs/dbraw/zinc/21/38/20/1178213820.db2.gz RNSOAOIMRROWDO-BBRMVZONSA-N 2 0 307.438 0.197 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCOCC1 ZINC001699884704 1178330501 /nfs/dbraw/zinc/33/05/01/1178330501.db2.gz NUVZAWSWXYFJRF-UHFFFAOYSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001700243243 1178549884 /nfs/dbraw/zinc/54/98/84/1178549884.db2.gz VOJJNYSUWDILGY-KRWDZBQOSA-N 2 0 307.438 0.439 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001700356468 1178595050 /nfs/dbraw/zinc/59/50/50/1178595050.db2.gz PIXXDZJXZWHWDS-HZPDHXFCSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CC[C@H](C)F)CC1 ZINC001700808158 1178758047 /nfs/dbraw/zinc/75/80/47/1178758047.db2.gz NUSNALWFACEPIQ-DZGCQCFKSA-N 2 0 313.417 0.146 20 30 DCEDRP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001707208614 1180434043 /nfs/dbraw/zinc/43/40/43/1180434043.db2.gz LYGZMLUEJYEGSH-INIZCTEOSA-N 2 0 321.465 0.637 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001713076449 1180667406 /nfs/dbraw/zinc/66/74/06/1180667406.db2.gz NJISUJUWXPGNJN-UHFFFAOYSA-N 2 0 320.481 0.618 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001713379259 1180790523 /nfs/dbraw/zinc/79/05/23/1180790523.db2.gz PNMPYXUCLGCUGA-CVEARBPZSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001714135139 1181257678 /nfs/dbraw/zinc/25/76/78/1181257678.db2.gz SFPMBVBPVJLLOB-LSDHHAIUSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001714194712 1181277515 /nfs/dbraw/zinc/27/75/15/1181277515.db2.gz MPXNGHJGOCLNGM-NFOMZHRRSA-N 2 0 324.469 0.646 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001714279656 1181304070 /nfs/dbraw/zinc/30/40/70/1181304070.db2.gz XSGFGLFBPRGUNL-LSDHHAIUSA-N 2 0 322.453 0.095 20 30 DCEDRP CC#CC[NH2+]C[C@H](C)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001714390433 1181346904 /nfs/dbraw/zinc/34/69/04/1181346904.db2.gz FXDDGVQTNRCRIR-AWEZNQCLSA-N 2 0 305.426 0.424 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C(C)C)C1=O ZINC001714884376 1181585428 /nfs/dbraw/zinc/58/54/28/1181585428.db2.gz YTJCUACTYVWFTF-CABCVRRESA-N 2 0 324.469 0.550 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001714898832 1181594115 /nfs/dbraw/zinc/59/41/15/1181594115.db2.gz YYPGVSKHXGYDLE-IAGOWNOFSA-N 2 0 321.465 0.901 20 30 DCEDRP CC[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC#CCOC ZINC001715061753 1181679308 /nfs/dbraw/zinc/67/93/08/1181679308.db2.gz CJYKFAHUWMOPAQ-MRXNPFEDSA-N 2 0 321.465 0.997 20 30 DCEDRP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001715189422 1181711818 /nfs/dbraw/zinc/71/18/18/1181711818.db2.gz GCUURTZIGXFCIF-BRWVUGGUSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001715249626 1181733024 /nfs/dbraw/zinc/73/30/24/1181733024.db2.gz AEGKUOHYKXMKMT-OAHLLOKOSA-N 2 0 309.454 0.710 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001715432944 1181811552 /nfs/dbraw/zinc/81/15/52/1181811552.db2.gz VQOOCUQMUSAPBY-HUUCEWRRSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001715644845 1181919080 /nfs/dbraw/zinc/91/90/80/1181919080.db2.gz GVAYJJGBRAMYOE-UKRRQHHQSA-N 2 0 322.453 0.115 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001715644844 1181919468 /nfs/dbraw/zinc/91/94/68/1181919468.db2.gz GVAYJJGBRAMYOE-HIFRSBDPSA-N 2 0 322.453 0.115 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001716414854 1182380900 /nfs/dbraw/zinc/38/09/00/1182380900.db2.gz VTLSVCQQTCYGAQ-KGLIPLIRSA-N 2 0 324.469 0.503 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001717323842 1182782260 /nfs/dbraw/zinc/78/22/60/1182782260.db2.gz QDHCDYMZPXTNRC-UHFFFAOYSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CC[NH2+]CCCOC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001717519310 1182879687 /nfs/dbraw/zinc/87/96/87/1182879687.db2.gz SYMCLNRLUQYEHI-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001717615511 1182925948 /nfs/dbraw/zinc/92/59/48/1182925948.db2.gz LJMADLPILUWPRD-HUUCEWRRSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001723141929 1184267144 /nfs/dbraw/zinc/26/71/44/1184267144.db2.gz JOBSRPFJLHMZLB-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001723517117 1184322705 /nfs/dbraw/zinc/32/27/05/1184322705.db2.gz FZJFMLYQQQAMJQ-HNNXBMFYSA-N 2 0 305.422 0.216 20 30 DCEDRP C#CCN(C(=O)CC[NH+]1CCCCC1)C1CC[NH+](CCO)CC1 ZINC001724065087 1184375512 /nfs/dbraw/zinc/37/55/12/1184375512.db2.gz NTNUBTPSDFWJQC-UHFFFAOYSA-N 2 0 321.465 0.781 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001724334738 1184410219 /nfs/dbraw/zinc/41/02/19/1184410219.db2.gz VSAFLPPHVXOUIW-QGZVFWFLSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CC[N@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001724402671 1184432427 /nfs/dbraw/zinc/43/24/27/1184432427.db2.gz RIVKTSFODXCHCJ-QGZVFWFLSA-N 2 0 305.422 0.049 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001724901940 1184611203 /nfs/dbraw/zinc/61/12/03/1184611203.db2.gz GVUMCJXKCLGHIW-WMZOPIPTSA-N 2 0 319.449 0.295 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001724985952 1184646005 /nfs/dbraw/zinc/64/60/05/1184646005.db2.gz LOWHWFGFKGFALF-UHFFFAOYSA-N 2 0 309.454 0.685 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]CC#CCOC)C2)CC[N@@H+]1C ZINC001725063764 1184672508 /nfs/dbraw/zinc/67/25/08/1184672508.db2.gz DRKNXWMSFIMOSA-SJJHQCBESA-N 2 0 321.465 0.851 20 30 DCEDRP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001725112619 1184687470 /nfs/dbraw/zinc/68/74/70/1184687470.db2.gz MHKDZLIRHBWLRP-UONOGXRCSA-N 2 0 305.426 0.564 20 30 DCEDRP C#CC[NH2+]CCCOC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001725216315 1184728712 /nfs/dbraw/zinc/72/87/12/1184728712.db2.gz XJUVVULNGBJSHQ-UHFFFAOYSA-N 2 0 319.449 0.703 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CC#CCOC)CC1 ZINC001725519859 1184855101 /nfs/dbraw/zinc/85/51/01/1184855101.db2.gz BTHQKOGKVKUBCK-MRXNPFEDSA-N 2 0 319.449 0.418 20 30 DCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC1(C)C ZINC001725682801 1184938994 /nfs/dbraw/zinc/93/89/94/1184938994.db2.gz UOCVTKBLJPIALK-MRXNPFEDSA-N 2 0 321.465 0.947 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC#CCOC)C1 ZINC001731445739 1185335974 /nfs/dbraw/zinc/33/59/74/1185335974.db2.gz BBJOBSGECYEXGD-BZUAXINKSA-N 2 0 307.438 0.747 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[NH2+]C[C@H](C)O)C2)CC1 ZINC001731528521 1185375453 /nfs/dbraw/zinc/37/54/53/1185375453.db2.gz BFCBSVUMYRYBMR-JKSUJKDBSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH2+]CCCO)C2)CC1 ZINC001731530522 1185376074 /nfs/dbraw/zinc/37/60/74/1185376074.db2.gz LMRZRKKAUKLBLJ-INIZCTEOSA-N 2 0 321.465 0.542 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001731621557 1185415696 /nfs/dbraw/zinc/41/56/96/1185415696.db2.gz FBIWWIXMWUSRJN-ZDUSSCGKSA-N 2 0 310.442 0.115 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001731659220 1185433581 /nfs/dbraw/zinc/43/35/81/1185433581.db2.gz HKTPETGFJZGPPM-CQSZACIVSA-N 2 0 303.410 0.130 20 30 DCEDRP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001731760411 1185473241 /nfs/dbraw/zinc/47/32/41/1185473241.db2.gz DFRHHHLYFACXRT-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001732649307 1185895365 /nfs/dbraw/zinc/89/53/65/1185895365.db2.gz NUTQYTKLXAXDPZ-INIZCTEOSA-N 2 0 317.433 0.494 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001732719914 1185934885 /nfs/dbraw/zinc/93/48/85/1185934885.db2.gz KWGAYJNUBDTGKP-OAHLLOKOSA-N 2 0 309.454 0.995 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001733076712 1186127400 /nfs/dbraw/zinc/12/74/00/1186127400.db2.gz HECVZVQPVCZWNV-HZPDHXFCSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](CCCOC)CC1 ZINC001733372265 1186242808 /nfs/dbraw/zinc/24/28/08/1186242808.db2.gz GMBLTPBMVZUCCV-UHFFFAOYSA-N 2 0 309.454 0.901 20 30 DCEDRP C#CCN(C(=O)C12CC[NH+](CC1)C2)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001733373540 1186244669 /nfs/dbraw/zinc/24/46/69/1186244669.db2.gz AIDBBNUOFCDUFY-OAHLLOKOSA-N 2 0 319.449 0.389 20 30 DCEDRP C#CCC[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001733487380 1186296117 /nfs/dbraw/zinc/29/61/17/1186296117.db2.gz TZLUMSFSOBLPFS-KRWDZBQOSA-N 2 0 307.438 0.437 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC#CCOC)C1 ZINC001733536618 1186325332 /nfs/dbraw/zinc/32/53/32/1186325332.db2.gz URHWLPXMKIHGMV-CVEARBPZSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[N@H+]1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001733576334 1186339595 /nfs/dbraw/zinc/33/95/95/1186339595.db2.gz LDOWLRBFMHVLCZ-IYBDPMFKSA-N 2 0 307.438 0.368 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H](C[NH2+]CC=C)C2)CC1 ZINC001733750582 1186431863 /nfs/dbraw/zinc/43/18/63/1186431863.db2.gz BIRSJJAWEKENNV-INIZCTEOSA-N 2 0 305.422 0.335 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001733885191 1186485738 /nfs/dbraw/zinc/48/57/38/1186485738.db2.gz GSSUZNNJFQLZDP-MRXNPFEDSA-N 2 0 321.465 0.827 20 30 DCEDRP C=CCC[NH2+][C@@H](CO)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001734373725 1186631544 /nfs/dbraw/zinc/63/15/44/1186631544.db2.gz NLORLBXSDONBPV-CYBMUJFWSA-N 2 0 302.378 0.899 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001734424742 1186650419 /nfs/dbraw/zinc/65/04/19/1186650419.db2.gz GFJHPLRYSDPRHT-GJZGRUSLSA-N 2 0 305.422 0.311 20 30 DCEDRP C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001734429294 1186651455 /nfs/dbraw/zinc/65/14/55/1186651455.db2.gz WPSZHPVHOMIOMV-LSDHHAIUSA-N 2 0 307.438 0.700 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001734528315 1186678114 /nfs/dbraw/zinc/67/81/14/1186678114.db2.gz WGTXMHMCOWJXSA-HZPDHXFCSA-N 2 0 309.454 0.682 20 30 DCEDRP C#CC[NH2+]C[C@H](NC(=O)COC1CC[NH+](C)CC1)C(C)(C)C ZINC001734576705 1186693512 /nfs/dbraw/zinc/69/35/12/1186693512.db2.gz ZZQYSIOYILLZHV-HNNXBMFYSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001753345620 1188569688 /nfs/dbraw/zinc/56/96/88/1188569688.db2.gz MQYKCEHDBSTVKR-HOTGVXAUSA-N 2 0 307.438 0.511 20 30 DCEDRP CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC#CCOC ZINC001753474039 1188605864 /nfs/dbraw/zinc/60/58/64/1188605864.db2.gz RAGZWSODWQYGOQ-CVEARBPZSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]C[C@@H](C)O)C(C)C)CC1 ZINC001753846134 1188663465 /nfs/dbraw/zinc/66/34/65/1188663465.db2.gz ZQERUJVVNMJFJT-GDBMZVCRSA-N 2 0 309.454 0.443 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001754327606 1188823326 /nfs/dbraw/zinc/82/33/26/1188823326.db2.gz DHPQPSXGUAXFKE-MRXNPFEDSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCC[NH+]1CCC[C@](CO)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001754857162 1188952188 /nfs/dbraw/zinc/95/21/88/1188952188.db2.gz AOBPFLCCGNRPBB-RDJZCZTQSA-N 2 0 309.454 0.847 20 30 DCEDRP C=C(C)C[NH+]1CCC[C@@](CO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001754861724 1188953978 /nfs/dbraw/zinc/95/39/78/1188953978.db2.gz NVAGGPJORXOQGO-NVXWUHKLSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)CC[N@@H+](C)CC)CC2 ZINC001755464573 1189118958 /nfs/dbraw/zinc/11/89/58/1189118958.db2.gz ZZDBUEGGDDYNOL-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001755898072 1189252782 /nfs/dbraw/zinc/25/27/82/1189252782.db2.gz XHIXXSXFQPHYMU-INIZCTEOSA-N 2 0 305.422 0.336 20 30 DCEDRP C=C(Br)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127685172 751628065 /nfs/dbraw/zinc/62/80/65/751628065.db2.gz GBPRIKMBVSZEKA-GHMZBOCLSA-N 2 0 304.232 0.941 20 30 DCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(OCC#N)cc1 ZINC001124836296 751720149 /nfs/dbraw/zinc/72/01/49/751720149.db2.gz FGVSDDZKNMSBSY-MRXNPFEDSA-N 2 0 316.405 0.889 20 30 DCEDRP C#CC[NH2+]CC1(CCNC(=O)COC[C@H](C)[NH+]2CCCC2)CC1 ZINC001167274056 747048980 /nfs/dbraw/zinc/04/89/80/747048980.db2.gz JEUXKIXYYIKGRY-INIZCTEOSA-N 2 0 321.465 0.997 20 30 DCEDRP C=C(C)C[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001098561144 747339470 /nfs/dbraw/zinc/33/94/70/747339470.db2.gz UFLWZSWRBSRXEU-OAHLLOKOSA-N 2 0 309.454 0.800 20 30 DCEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001105017028 748004927 /nfs/dbraw/zinc/00/49/27/748004927.db2.gz MQXMXROMISHVDU-IXDOHACOSA-N 2 0 321.465 0.662 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001168136591 749472745 /nfs/dbraw/zinc/47/27/45/749472745.db2.gz HLFOMTABJYMPDZ-AWEZNQCLSA-N 2 0 322.453 0.116 20 30 DCEDRP C=CCCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001112867883 761983604 /nfs/dbraw/zinc/98/36/04/761983604.db2.gz CKKFLLXQOXTOKU-HZPDHXFCSA-N 2 0 307.438 0.960 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CCCCN2CCOCC2)C[C@H]1C ZINC001106765849 751271145 /nfs/dbraw/zinc/27/11/45/751271145.db2.gz VXHJIKJRMUXMJH-IAGOWNOFSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC001115013189 762111248 /nfs/dbraw/zinc/11/12/48/762111248.db2.gz ICGUDZKOMFVCPM-VQFNDLOPSA-N 2 0 321.465 0.967 20 30 DCEDRP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]([NH2+]CC#CCOC)C12CCC2 ZINC001203522682 751289421 /nfs/dbraw/zinc/28/94/21/751289421.db2.gz NXSMTQXRPWUFII-HOTGVXAUSA-N 2 0 321.465 0.995 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778447 752522207 /nfs/dbraw/zinc/52/22/07/752522207.db2.gz KCHARBJJVXZZSL-HZPDHXFCSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)C12CCC2 ZINC001203557946 752692383 /nfs/dbraw/zinc/69/23/83/752692383.db2.gz SKGJBXOTWZBZDQ-JKSUJKDBSA-N 2 0 319.449 0.747 20 30 DCEDRP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001045444846 753196255 /nfs/dbraw/zinc/19/62/55/753196255.db2.gz YPGYSEDCTDWRRL-GJZGRUSLSA-N 2 0 305.422 0.454 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](C[C@@H](C)OC)C2)CC1 ZINC001046850019 753979474 /nfs/dbraw/zinc/97/94/74/753979474.db2.gz NQIZIRGUSAXGCI-CRAIPNDOSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001047524483 754355357 /nfs/dbraw/zinc/35/53/57/754355357.db2.gz HQOXPOPLVGJUJE-SNPRPXQTSA-N 2 0 316.405 0.356 20 30 DCEDRP C=CCNC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903511266 755243481 /nfs/dbraw/zinc/24/34/81/755243481.db2.gz ZJASDQKJFSFGKF-BMFZPTHFSA-N 2 0 306.454 0.578 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CN(C)CCO1 ZINC001049391854 755247891 /nfs/dbraw/zinc/24/78/91/755247891.db2.gz RRQJGNISQOHMPP-BZUAXINKSA-N 2 0 305.422 0.406 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CN(C)CCO1 ZINC001049391853 755247956 /nfs/dbraw/zinc/24/79/56/755247956.db2.gz RRQJGNISQOHMPP-ARFHVFGLSA-N 2 0 305.422 0.406 20 30 DCEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001083908602 755449188 /nfs/dbraw/zinc/44/91/88/755449188.db2.gz MKFLFQYEGWMKTR-CVEARBPZSA-N 2 0 309.454 0.844 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084347622 757797579 /nfs/dbraw/zinc/79/75/79/757797579.db2.gz YILUZAMJDHXPRI-BRWVUGGUSA-N 2 0 301.434 0.884 20 30 DCEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001085094184 758206030 /nfs/dbraw/zinc/20/60/30/758206030.db2.gz FTJLDNCXQIVYMX-BBWFWOEESA-N 2 0 319.449 0.511 20 30 DCEDRP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117678 759190781 /nfs/dbraw/zinc/19/07/81/759190781.db2.gz XBIXISGCYIDQDB-IAGOWNOFSA-N 2 0 318.465 0.180 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147885829 767861851 /nfs/dbraw/zinc/86/18/51/767861851.db2.gz PKVOCICWNGGWMT-OAHLLOKOSA-N 2 0 324.469 0.459 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2[C@@H](C)COC)CC1 ZINC001085986629 759547396 /nfs/dbraw/zinc/54/73/96/759547396.db2.gz JCGCBQNUVYVBSX-RDJZCZTQSA-N 2 0 321.465 0.899 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001086369260 760109167 /nfs/dbraw/zinc/10/91/67/760109167.db2.gz YDYYFGVTXMBMKO-HDJSIYSDSA-N 2 0 303.410 0.176 20 30 DCEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001086432346 760183932 /nfs/dbraw/zinc/18/39/32/760183932.db2.gz RXLOYOHLIOZGJA-MYPHYYIGSA-N 2 0 319.449 0.910 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@]2(C)C[N@H+](C(C)C)CCO2)CC1 ZINC001108419981 760508036 /nfs/dbraw/zinc/50/80/36/760508036.db2.gz UUEBBAHVJZZNKB-GOSISDBHSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001148277926 767958032 /nfs/dbraw/zinc/95/80/32/767958032.db2.gz NNQQCBZQHWYAOX-INIZCTEOSA-N 2 0 319.449 0.655 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)CCCC[NH+](C)C)C1=O ZINC001148360390 767972753 /nfs/dbraw/zinc/97/27/53/767972753.db2.gz SIELIJNBNISUQA-AWEZNQCLSA-N 2 0 310.442 0.211 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148365457 767974812 /nfs/dbraw/zinc/97/48/12/767974812.db2.gz QPVUASSZLOQELA-UHFFFAOYSA-N 2 0 324.469 0.625 20 30 DCEDRP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169809602 760870337 /nfs/dbraw/zinc/87/03/37/760870337.db2.gz JHHDUBHYJOWJTP-CVEARBPZSA-N 2 0 309.454 0.995 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001108756498 761036911 /nfs/dbraw/zinc/03/69/11/761036911.db2.gz LSIJRZGOCJDJLC-JYJNAYRXSA-N 2 0 307.438 0.557 20 30 DCEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992157 763081200 /nfs/dbraw/zinc/08/12/00/763081200.db2.gz NPVGDQPIQZDCKA-CABCVRRESA-N 2 0 320.441 0.538 20 30 DCEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992137 763081613 /nfs/dbraw/zinc/08/16/13/763081613.db2.gz MNXANSVHDZJNNE-KGLIPLIRSA-N 2 0 306.414 0.147 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[NH+](C)C)C1 ZINC001130415120 763292715 /nfs/dbraw/zinc/29/27/15/763292715.db2.gz CAIUQHTUKMHUNU-AWEZNQCLSA-N 2 0 317.437 0.790 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100126647 763336859 /nfs/dbraw/zinc/33/68/59/763336859.db2.gz KOPVCRVRRRCVGM-HOTGVXAUSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001100651876 763703759 /nfs/dbraw/zinc/70/37/59/763703759.db2.gz NONAXFPKZFYRJF-ZBCRRDGASA-N 2 0 324.469 0.359 20 30 DCEDRP C#CC[NH2+]C1CC(CNC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001100686890 763724805 /nfs/dbraw/zinc/72/48/05/763724805.db2.gz XIKFDPZZNUZADA-FHERZECASA-N 2 0 307.438 0.605 20 30 DCEDRP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001131555831 763866590 /nfs/dbraw/zinc/86/65/90/763866590.db2.gz ZBQNLHDTWVQCRY-AEFFLSMTSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001131794413 764022094 /nfs/dbraw/zinc/02/20/94/764022094.db2.gz YJLOGFUMVHPAFK-UHFFFAOYSA-N 2 0 324.469 0.507 20 30 DCEDRP C=CCOCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158509049 764148625 /nfs/dbraw/zinc/14/86/25/764148625.db2.gz ZAWUBKYUBYUALY-HUUCEWRRSA-N 2 0 311.426 0.148 20 30 DCEDRP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102581089 764711309 /nfs/dbraw/zinc/71/13/09/764711309.db2.gz YXUZZLUGNSRBDI-BZUAXINKSA-N 2 0 309.454 0.825 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001133199326 764865925 /nfs/dbraw/zinc/86/59/25/764865925.db2.gz DJENSFVILFMYCX-JKSUJKDBSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001133245348 764889794 /nfs/dbraw/zinc/88/97/94/764889794.db2.gz CXPYDANJYJBUQM-HZPDHXFCSA-N 2 0 309.454 0.662 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133908073 765220120 /nfs/dbraw/zinc/22/01/20/765220120.db2.gz GNYKSJXJOBJCSG-CYBMUJFWSA-N 2 0 312.458 0.361 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CC ZINC001115081807 765582345 /nfs/dbraw/zinc/58/23/45/765582345.db2.gz YKFHWRKNYHYIQL-TTZDDIAXSA-N 2 0 322.453 0.065 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135093863 765800643 /nfs/dbraw/zinc/80/06/43/765800643.db2.gz UJAGJHRDJHEIMQ-ZIAGYGMSSA-N 2 0 308.426 0.011 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)CCCCCC ZINC001135440303 765938746 /nfs/dbraw/zinc/93/87/46/765938746.db2.gz KSYYSBZQCHALJD-HNNXBMFYSA-N 2 0 324.469 0.342 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135513746 765967321 /nfs/dbraw/zinc/96/73/21/765967321.db2.gz XJFVYWICQGBOHY-UHFFFAOYSA-N 2 0 310.442 0.235 20 30 DCEDRP C=C(Cl)CN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090540498 766301840 /nfs/dbraw/zinc/30/18/40/766301840.db2.gz PGFFUTVKIKBYAZ-KGLIPLIRSA-N 2 0 315.845 0.632 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090610923 766373075 /nfs/dbraw/zinc/37/30/75/766373075.db2.gz WTKXODCAMGFVHG-HZPDHXFCSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(C)C)C[C@H]2O)CC1 ZINC001090830596 766649435 /nfs/dbraw/zinc/64/94/35/766649435.db2.gz NOFPOUXCNWLRBR-DLBZAZTESA-N 2 0 321.465 0.539 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171225956 767049702 /nfs/dbraw/zinc/04/97/02/767049702.db2.gz BWHMDRLQBOAGRB-ZIAGYGMSSA-N 2 0 310.442 0.115 20 30 DCEDRP C#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001092909712 768414458 /nfs/dbraw/zinc/41/44/58/768414458.db2.gz ZUPLNXTYYXFDTD-OAGGEKHMSA-N 2 0 307.438 0.413 20 30 DCEDRP C#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@H+]1C)CCO2 ZINC001093391357 768555664 /nfs/dbraw/zinc/55/56/64/768555664.db2.gz RRMBNKKPEYQKBZ-PQUAAJSLSA-N 2 0 319.449 0.844 20 30 DCEDRP CN(C(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1C#N)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219238 768589475 /nfs/dbraw/zinc/58/94/75/768589475.db2.gz OYHUHEGSRLRNMX-NRKLIOEPSA-N 2 0 310.401 0.537 20 30 DCEDRP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001149849991 768882654 /nfs/dbraw/zinc/88/26/54/768882654.db2.gz XTHUMTBPZBNICU-HZPDHXFCSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001150417949 769090745 /nfs/dbraw/zinc/09/07/45/769090745.db2.gz VBPZMPJKRDBFEH-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH+]1CCCO[C@@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001150626236 769144728 /nfs/dbraw/zinc/14/47/28/769144728.db2.gz URXAOPJAIKTGOE-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001171873633 769384172 /nfs/dbraw/zinc/38/41/72/769384172.db2.gz SHAYZRIOJFINPT-UERKLNTKSA-N 2 0 319.449 0.747 20 30 DCEDRP N#Cc1ccc(F)c(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235872151 769957089 /nfs/dbraw/zinc/95/70/89/769957089.db2.gz YQPLIOCYJITWRG-UHFFFAOYSA-N 2 0 305.401 0.282 20 30 DCEDRP COc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)ccc1C#N ZINC001235874944 769957382 /nfs/dbraw/zinc/95/73/82/769957382.db2.gz YAACWDCYXRAMBT-UHFFFAOYSA-N 2 0 317.437 0.151 20 30 DCEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176601661 770144254 /nfs/dbraw/zinc/14/42/54/770144254.db2.gz WVDHXJBCYHPROC-JKSUJKDBSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001176844537 770188904 /nfs/dbraw/zinc/18/89/04/770188904.db2.gz KPMZCBOWPPQWPG-OKILXGFUSA-N 2 0 310.442 0.257 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176992578 770282354 /nfs/dbraw/zinc/28/23/54/770282354.db2.gz UUUVVLMOIIBUEY-HUUCEWRRSA-N 2 0 324.469 0.647 20 30 DCEDRP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155255093 770450454 /nfs/dbraw/zinc/45/04/54/770450454.db2.gz JIRPMXYXDNCZGP-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156390078 770804614 /nfs/dbraw/zinc/80/46/14/770804614.db2.gz GUGPCEQBZXZFDE-OAHLLOKOSA-N 2 0 313.442 0.041 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)C[NH+](CC)CC ZINC001179850690 771024404 /nfs/dbraw/zinc/02/44/04/771024404.db2.gz KRYKUTSFYWMYEK-UHFFFAOYSA-N 2 0 324.469 0.344 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC#CCOC)[C@@H]1C ZINC001179979413 771042146 /nfs/dbraw/zinc/04/21/46/771042146.db2.gz WQRHYQSYVKAGBE-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001183164935 771619452 /nfs/dbraw/zinc/61/94/52/771619452.db2.gz FZCTVWNBTMDMSO-NVXWUHKLSA-N 2 0 309.454 0.662 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183436779 771650201 /nfs/dbraw/zinc/65/02/01/771650201.db2.gz QMESBCRXMJOZLJ-HIFRSBDPSA-N 2 0 310.442 0.065 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001183867641 771717084 /nfs/dbraw/zinc/71/70/84/771717084.db2.gz HIYYWOHXETWBDL-SJORKVTESA-N 2 0 321.465 0.947 20 30 DCEDRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001160840579 772120698 /nfs/dbraw/zinc/12/06/98/772120698.db2.gz XXZPQJMGAOUBFO-HOTGVXAUSA-N 2 0 316.405 0.217 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160862274 772127108 /nfs/dbraw/zinc/12/71/08/772127108.db2.gz KRVZFMRQDDGAGD-HUUCEWRRSA-N 2 0 322.453 0.401 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@@H](C)COC)C2)CC1 ZINC001188090841 772264639 /nfs/dbraw/zinc/26/46/39/772264639.db2.gz IOGFALWQSLTDPI-GOEBONIOSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@H](C)COC)C2)CC1 ZINC001188090840 772264777 /nfs/dbraw/zinc/26/47/77/772264777.db2.gz IOGFALWQSLTDPI-GDBMZVCRSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161795312 772283868 /nfs/dbraw/zinc/28/38/68/772283868.db2.gz BLPRATJSVGPSFB-CQSZACIVSA-N 2 0 322.453 0.401 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2C)(COC)CC1 ZINC001162327851 772361744 /nfs/dbraw/zinc/36/17/44/772361744.db2.gz YLLXIXSHMFOPIU-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001203699911 772448462 /nfs/dbraw/zinc/44/84/62/772448462.db2.gz WYPZUJJWSMQDHU-KBPBESRZSA-N 2 0 322.453 0.209 20 30 DCEDRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+]CC#CCOC)C1 ZINC001164449554 772660421 /nfs/dbraw/zinc/66/04/21/772660421.db2.gz LPQLWAWPWLMJRN-INIZCTEOSA-N 2 0 309.454 0.854 20 30 DCEDRP C#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001164597181 772686638 /nfs/dbraw/zinc/68/66/38/772686638.db2.gz XWEAFEORRFGCNY-HUUCEWRRSA-N 2 0 305.422 0.359 20 30 DCEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001164596510 772686709 /nfs/dbraw/zinc/68/67/09/772686709.db2.gz LZQBHSORMPREKU-HUUCEWRRSA-N 2 0 307.438 0.912 20 30 DCEDRP COCC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001165764103 772760402 /nfs/dbraw/zinc/76/04/02/772760402.db2.gz MBLVKJNODXIOCY-INIZCTEOSA-N 2 0 321.465 0.997 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165788745 772762798 /nfs/dbraw/zinc/76/27/98/772762798.db2.gz UHKYOAORCQCBDB-UHFFFAOYSA-N 2 0 310.442 0.235 20 30 DCEDRP C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001192170412 772879065 /nfs/dbraw/zinc/87/90/65/772879065.db2.gz LICOIAWOKCXNDZ-HUUCEWRRSA-N 2 0 322.453 0.258 20 30 DCEDRP C#CCC[NH2+]C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001203709735 772920614 /nfs/dbraw/zinc/92/06/14/772920614.db2.gz XZBSNOWBQYXVQT-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203730453 772921956 /nfs/dbraw/zinc/92/19/56/772921956.db2.gz KVWOCCHNCLOTPF-HZPDHXFCSA-N 2 0 319.449 0.749 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192948011 772977576 /nfs/dbraw/zinc/97/75/76/772977576.db2.gz NKXZPSWROHKCJD-HUUCEWRRSA-N 2 0 324.469 0.552 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193462794 773066185 /nfs/dbraw/zinc/06/61/85/773066185.db2.gz PULNXJQBOWUCPS-HOTGVXAUSA-N 2 0 307.438 0.511 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206992723 773159070 /nfs/dbraw/zinc/15/90/70/773159070.db2.gz CYHIDFPKXBDNAY-KLHDSHLOSA-N 2 0 307.438 0.413 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001208423742 773457828 /nfs/dbraw/zinc/45/78/28/773457828.db2.gz OJWIQFZFJNSMFP-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208493029 773477407 /nfs/dbraw/zinc/47/74/07/773477407.db2.gz YFYDUYKBGSRCSE-INIZCTEOSA-N 2 0 319.449 0.845 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001209659527 773631666 /nfs/dbraw/zinc/63/16/66/773631666.db2.gz FVYAYXACNOSKAR-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210492931 773714032 /nfs/dbraw/zinc/71/40/32/773714032.db2.gz GIFTYRFPHCVCRZ-CABCVRRESA-N 2 0 324.469 0.600 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CCCO)C2)CC1 ZINC001211234393 773784213 /nfs/dbraw/zinc/78/42/13/773784213.db2.gz ZHXLLLVEZAJKDG-MRXNPFEDSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CCOCC)CC2)CC1 ZINC001198236678 773884309 /nfs/dbraw/zinc/88/43/09/773884309.db2.gz TXIKJKDDKYMJHV-UHFFFAOYSA-N 2 0 321.465 0.902 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213934192 773903620 /nfs/dbraw/zinc/90/36/20/773903620.db2.gz MAUVHNQYDACUOV-BRWVUGGUSA-N 2 0 321.465 0.946 20 30 DCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001214663830 774006520 /nfs/dbraw/zinc/00/65/20/774006520.db2.gz FGTJBKLAGIDVET-KLHDSHLOSA-N 2 0 309.454 0.966 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215535972 774081794 /nfs/dbraw/zinc/08/17/94/774081794.db2.gz BDQWSTRYOPDQAS-OWCLPIDISA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215540619 774081847 /nfs/dbraw/zinc/08/18/47/774081847.db2.gz OFGKSRGOCGOYJF-ARFHVFGLSA-N 2 0 307.438 0.415 20 30 DCEDRP N#Cc1c(NC(=O)C[C@@H]2COCC[NH2+]2)sc2c1CC[NH2+]C2 ZINC001218554352 774246217 /nfs/dbraw/zinc/24/62/17/774246217.db2.gz YGSXKDBTDJFNPU-SECBINFHSA-N 2 0 306.391 0.582 20 30 DCEDRP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218965287 774336921 /nfs/dbraw/zinc/33/69/21/774336921.db2.gz IVUQELGCJMOLNO-LSDHHAIUSA-N 2 0 311.426 0.052 20 30 DCEDRP N#Cc1cc(N)c(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)cc1C#N ZINC001218987593 774341433 /nfs/dbraw/zinc/34/14/33/774341433.db2.gz OQXOIMJTUMFLSN-MLGOLLRUSA-N 2 0 310.361 0.150 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCO1 ZINC001200553838 774361658 /nfs/dbraw/zinc/36/16/58/774361658.db2.gz AZFNTXNCDRFJEY-YESZJQIVSA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCCO1 ZINC001200687714 774390022 /nfs/dbraw/zinc/39/00/22/774390022.db2.gz GGGGDEUJLZQEMY-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200704189 774395225 /nfs/dbraw/zinc/39/52/25/774395225.db2.gz IPPOTHZPPAOQGZ-MRXNPFEDSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCCO1 ZINC001200794395 774409598 /nfs/dbraw/zinc/40/95/98/774409598.db2.gz BYPHLRSDVZTXOY-MRXNPFEDSA-N 2 0 319.449 0.703 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCCO1 ZINC001201129681 774459644 /nfs/dbraw/zinc/45/96/44/774459644.db2.gz QNWLVXPBDDLWGQ-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CCCO1 ZINC001201402310 774501063 /nfs/dbraw/zinc/50/10/63/774501063.db2.gz CHFAIFYBUGYSJP-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CCCO1 ZINC001201872925 774570912 /nfs/dbraw/zinc/57/09/12/774570912.db2.gz UGTFCXMKBMIHAX-AWEZNQCLSA-N 2 0 316.405 0.602 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC#C)CC2)CCCO1 ZINC001202141437 774605832 /nfs/dbraw/zinc/60/58/32/774605832.db2.gz OXPXLLLJSHNOHC-QGZVFWFLSA-N 2 0 317.433 0.172 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CCCO1 ZINC001202148275 774606972 /nfs/dbraw/zinc/60/69/72/774606972.db2.gz STMDMPKKBFYFCK-IRXDYDNUSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001202502607 774768780 /nfs/dbraw/zinc/76/87/80/774768780.db2.gz FUIFJJJUDGSBKO-ZBFHGGJFSA-N 2 0 307.438 0.415 20 30 DCEDRP C=C[C@@H]1C[C@@]1(NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(=O)OCC ZINC001220570879 774848237 /nfs/dbraw/zinc/84/82/37/774848237.db2.gz CDZPQCYNWSNIQB-IGCXYCKISA-N 2 0 321.421 0.485 20 30 DCEDRP C#CC[NH2+]C1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)CC1 ZINC001202559689 774959265 /nfs/dbraw/zinc/95/92/65/774959265.db2.gz KFEPFQZFXAKJBR-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081020 774991218 /nfs/dbraw/zinc/99/12/18/774991218.db2.gz BIZWMOKREIHTBM-CVEARBPZSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCOC(=O)N1CCC(CNC(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001221298433 775058971 /nfs/dbraw/zinc/05/89/71/775058971.db2.gz OJHRMRCZEDUHSF-ZDUSSCGKSA-N 2 0 312.414 0.203 20 30 DCEDRP COCC#CC[NH+]1CCC(CNC(=O)Cc2c[nH]cn2)CC1 ZINC001224665061 775594903 /nfs/dbraw/zinc/59/49/03/775594903.db2.gz BLQIYKVDYVJYDE-UHFFFAOYSA-N 2 0 304.394 0.430 20 30 DCEDRP CC[NH+](CC)CC(=O)NCC1CC[NH+](CC#CCOC)CC1 ZINC001224911102 775619928 /nfs/dbraw/zinc/61/99/28/775619928.db2.gz IWAURPKCQWGVFL-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001225577227 775695159 /nfs/dbraw/zinc/69/51/59/775695159.db2.gz AQLFBKYJDOHOKH-UHFFFAOYSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)C[NH+](CC)CC)CC1 ZINC001229663758 776209841 /nfs/dbraw/zinc/20/98/41/776209841.db2.gz FXRZHNHVODSULH-AWEZNQCLSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001277956092 945063503 /nfs/dbraw/zinc/06/35/03/945063503.db2.gz GRPBPQDGFYFXDJ-OAHLLOKOSA-N 2 0 305.426 0.825 20 30 DCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001266534364 939154604 /nfs/dbraw/zinc/15/46/04/939154604.db2.gz HMOXYQDVUANSRW-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001266822528 939246188 /nfs/dbraw/zinc/24/61/88/939246188.db2.gz ACJLNMLLHFUTRU-HOTGVXAUSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001266851619 939253701 /nfs/dbraw/zinc/25/37/01/939253701.db2.gz ALKHJJUBPJJYJH-OAHLLOKOSA-N 2 0 322.453 0.048 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001267041230 939320777 /nfs/dbraw/zinc/32/07/77/939320777.db2.gz MAYCUXTURWMCNL-NVXWUHKLSA-N 2 0 319.449 0.416 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+][C@H](C)COC)CC1 ZINC001267154683 939361814 /nfs/dbraw/zinc/36/18/14/939361814.db2.gz IDZSGCZYHJAUSG-HUUCEWRRSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001267569267 939503914 /nfs/dbraw/zinc/50/39/14/939503914.db2.gz RVBLNTGASSZXBQ-IAGOWNOFSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001267583591 939528419 /nfs/dbraw/zinc/52/84/19/939528419.db2.gz SVRBRXMYTSYMJY-HNNXBMFYSA-N 2 0 317.437 0.472 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001481127002 939575313 /nfs/dbraw/zinc/57/53/13/939575313.db2.gz OKZLLOFACMSWDQ-GJZGRUSLSA-N 2 0 324.469 0.455 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268094432 939944570 /nfs/dbraw/zinc/94/45/70/939944570.db2.gz OHFBSCRKFRLMSI-UONOGXRCSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CC[NH2+]C[C@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001269088923 940614416 /nfs/dbraw/zinc/61/44/16/940614416.db2.gz JQTNUIMROCIYDQ-INIZCTEOSA-N 2 0 309.373 0.999 20 30 DCEDRP CC[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC#CCOC ZINC001269417396 940703638 /nfs/dbraw/zinc/70/36/38/940703638.db2.gz HFIQEOCFLVVDDY-HZPDHXFCSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCOCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001271711765 941427372 /nfs/dbraw/zinc/42/73/72/941427372.db2.gz LXWGOASCYFEAHZ-HOTGVXAUSA-N 2 0 309.454 0.969 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)c1ccc2c[nH+]cn2c1C ZINC001272202270 941807886 /nfs/dbraw/zinc/80/78/86/941807886.db2.gz NBYNMISNSBSHDA-UHFFFAOYSA-N 2 0 314.389 0.690 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]C[C@@H](C)OC)C2CC2)CC1 ZINC001483608671 942461101 /nfs/dbraw/zinc/46/11/01/942461101.db2.gz UPXPEBPUWFPZGX-RHSMWYFYSA-N 2 0 321.465 0.851 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@](C)(NC(=O)CCc2cncn2C)C1 ZINC001484069034 943135732 /nfs/dbraw/zinc/13/57/32/943135732.db2.gz ZFRFRWWJQBIDKA-QGZVFWFLSA-N 2 0 318.421 0.583 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001484355319 943334270 /nfs/dbraw/zinc/33/42/70/943334270.db2.gz FQPSAEFPYQCUSJ-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001484698614 943520323 /nfs/dbraw/zinc/52/03/23/943520323.db2.gz BFSNJZCVTAKFPL-CYBMUJFWSA-N 2 0 301.818 0.652 20 30 DCEDRP C#CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC001484725929 943536336 /nfs/dbraw/zinc/53/63/36/943536336.db2.gz GYVRUFLUMZRQQK-OAHLLOKOSA-N 2 0 322.453 0.048 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001484721407 943538961 /nfs/dbraw/zinc/53/89/61/943538961.db2.gz GWKSUIQULSKQBM-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001484842344 943590536 /nfs/dbraw/zinc/59/05/36/943590536.db2.gz XUTLVUJWQHPEAT-JZXOWHBKSA-N 2 0 321.465 0.683 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001490928443 943680470 /nfs/dbraw/zinc/68/04/70/943680470.db2.gz PWCYMFMQRRQPKG-SHTZXODSSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001485154347 943721518 /nfs/dbraw/zinc/72/15/18/943721518.db2.gz DESBLBMPRUGEJQ-OLZOCXBDSA-N 2 0 310.442 0.256 20 30 DCEDRP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001485706374 944085492 /nfs/dbraw/zinc/08/54/92/944085492.db2.gz FYYIBXSZSLAKER-JCNLHEQBSA-N 2 0 301.434 0.839 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001486221533 944660177 /nfs/dbraw/zinc/66/01/77/944660177.db2.gz SVPXHMYFTJPMJW-NVXWUHKLSA-N 2 0 301.434 0.839 20 30 DCEDRP Cc1nccn1CCCC(=O)NCCN1CCN(CC#N)CC1 ZINC001316971950 944698655 /nfs/dbraw/zinc/69/86/55/944698655.db2.gz JTEXTDKNBKJSFJ-UHFFFAOYSA-N 2 0 318.425 0.229 20 30 DCEDRP C=CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001317137821 944816907 /nfs/dbraw/zinc/81/69/07/944816907.db2.gz NYMINHMXVASLCE-OAHLLOKOSA-N 2 0 322.453 0.213 20 30 DCEDRP COC(=O)[C@@H]1CC[C@H]([NH+]=C(C)NCc2cccc(C[NH3+])c2)CN1 ZINC001246524635 945426349 /nfs/dbraw/zinc/42/63/49/945426349.db2.gz KJJMWXWQNHYPGB-HOTGVXAUSA-N 2 0 318.421 0.947 20 30 DCEDRP C[C@@H](Cc1cccc(C#N)c1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246819786 945496227 /nfs/dbraw/zinc/49/62/27/945496227.db2.gz IYKJNQJJESQTCL-INIZCTEOSA-N 2 0 315.465 0.574 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]C[C@H](C)O)CC(C)C)CC1 ZINC001319641699 945637241 /nfs/dbraw/zinc/63/72/41/945637241.db2.gz AMUCCXUHXZVINB-DOTOQJQBSA-N 2 0 323.481 0.833 20 30 DCEDRP C#CCOC[C@H](O)C[NH+]1CCN(CCC[NH+](CC)CC)CC1 ZINC001251851839 945798845 /nfs/dbraw/zinc/79/88/45/945798845.db2.gz TWZOQFWCQGDKLI-QGZVFWFLSA-N 2 0 311.470 0.347 20 30 DCEDRP COCC#CC[NH2+]CC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001320451263 945884070 /nfs/dbraw/zinc/88/40/70/945884070.db2.gz WFEQWHQEIPKXTG-HOTGVXAUSA-N 2 0 309.454 0.995 20 30 DCEDRP C=C[C@H](O)C[N@@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001253582420 946134858 /nfs/dbraw/zinc/13/48/58/946134858.db2.gz ONTKSIIUSBDWOL-AWEZNQCLSA-N 2 0 308.426 0.714 20 30 DCEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001278840691 946465675 /nfs/dbraw/zinc/46/56/75/946465675.db2.gz ZDDGLMLVPYLOAD-INIZCTEOSA-N 2 0 305.422 0.957 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H](CC)[NH+](C)C)C1=O ZINC001321989577 946542015 /nfs/dbraw/zinc/54/20/15/946542015.db2.gz CAOUCCMQLZQXRR-MJBXVCDLSA-N 2 0 310.442 0.208 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CCO1 ZINC001273323480 946630181 /nfs/dbraw/zinc/63/01/81/946630181.db2.gz NTGQRILVGFPVHE-HZPDHXFCSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([C@H](C)[NH2+]CCO)C2)CC1 ZINC001279044002 946766587 /nfs/dbraw/zinc/76/65/87/946766587.db2.gz FCXSHIQZUMDQGZ-GOEBONIOSA-N 2 0 307.438 0.151 20 30 DCEDRP C#CCC[NH2+]C[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC001323022514 946901850 /nfs/dbraw/zinc/90/18/50/946901850.db2.gz OQASYMLCWCWASN-MRXNPFEDSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCOC)C2CC2)CC1 ZINC001323116052 946939773 /nfs/dbraw/zinc/93/97/73/946939773.db2.gz ZYWMCUXZXVCYAC-INIZCTEOSA-N 2 0 307.438 0.462 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001411109012 947342445 /nfs/dbraw/zinc/34/24/45/947342445.db2.gz ZJEIJBUUODAGKH-AAEUAGOBSA-N 2 0 303.834 0.490 20 30 DCEDRP C#CCC[N@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001325112277 947661798 /nfs/dbraw/zinc/66/17/98/947661798.db2.gz ZPQIODKWIBHAMK-INIZCTEOSA-N 2 0 305.422 0.191 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001179538872 947865396 /nfs/dbraw/zinc/86/53/96/947865396.db2.gz JPDGFWICRSSCND-PMPSAXMXSA-N 2 0 307.438 0.557 20 30 DCEDRP N#CCNC1CC[NH+](CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001325817947 947934200 /nfs/dbraw/zinc/93/42/00/947934200.db2.gz KVMDPKLIKKUVEL-UHFFFAOYSA-N 2 0 321.469 0.556 20 30 DCEDRP C#CCN1CC[C@@]2(CCC[N@H+]2CCCN2CC[NH+](C)CC2)C1=O ZINC001273728699 948051993 /nfs/dbraw/zinc/05/19/93/948051993.db2.gz WXYRWFPZVRZEEV-SFHVURJKSA-N 2 0 318.465 0.324 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001273753211 948067554 /nfs/dbraw/zinc/06/75/54/948067554.db2.gz SGXZESYWOVQIJJ-KBPBESRZSA-N 2 0 310.442 0.067 20 30 DCEDRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001326341587 948133580 /nfs/dbraw/zinc/13/35/80/948133580.db2.gz WJKNEGDQLHHSPC-LSDHHAIUSA-N 2 0 309.458 0.397 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001327173495 948412685 /nfs/dbraw/zinc/41/26/85/948412685.db2.gz RQBFMNZFKMMGGH-INIZCTEOSA-N 2 0 309.454 0.947 20 30 DCEDRP O[C@@]1(C2CC2)CC[N@H+](CC#CC[NH+]2CC[C@](O)(C3CC3)C2)C1 ZINC001327716167 948604409 /nfs/dbraw/zinc/60/44/09/948604409.db2.gz IDCXVCOJINSQRC-HDICACEKSA-N 2 0 304.434 0.683 20 30 DCEDRP C#CCN1CC[C@@]2(CCCN2C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001273864141 948640714 /nfs/dbraw/zinc/64/07/14/948640714.db2.gz SNBRZLRLCQFZKS-PBHICJAKSA-N 2 0 307.438 0.436 20 30 DCEDRP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001264077056 948863180 /nfs/dbraw/zinc/86/31/80/948863180.db2.gz RLIXKKGMRMGTKQ-MRXNPFEDSA-N 2 0 321.465 0.779 20 30 DCEDRP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001264079989 948872006 /nfs/dbraw/zinc/87/20/06/948872006.db2.gz DCTMMHXPXUTXOI-JKSUJKDBSA-N 2 0 307.438 0.247 20 30 DCEDRP CC#CC[N@H+](C)CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001265001523 949167694 /nfs/dbraw/zinc/16/76/94/949167694.db2.gz ZRXCRBYGLHRXOS-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001488880126 949346638 /nfs/dbraw/zinc/34/66/38/949346638.db2.gz MLQPYAHHGYRDMS-QAETUUGQSA-N 2 0 321.465 0.993 20 30 DCEDRP C=CCN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001265243501 949487556 /nfs/dbraw/zinc/48/75/56/949487556.db2.gz USVVIMXZUKZVFQ-HZPDHXFCSA-N 2 0 308.470 0.637 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CCC[C@@H](C)O)CC1 ZINC001329621991 949725068 /nfs/dbraw/zinc/72/50/68/949725068.db2.gz ATGKSCHCRCOTAG-JKSUJKDBSA-N 2 0 323.481 0.929 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001265673275 949866812 /nfs/dbraw/zinc/86/68/12/949866812.db2.gz BILWFNBRZGGGIP-LSDHHAIUSA-N 2 0 324.469 0.600 20 30 DCEDRP C=C(CC)CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001330324245 950274560 /nfs/dbraw/zinc/27/45/60/950274560.db2.gz WATLBFPBEHAVDH-HUUCEWRRSA-N 2 0 324.469 0.267 20 30 DCEDRP C=C(C)C[NH+]1CCC[C@](CO)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001279490029 950602823 /nfs/dbraw/zinc/60/28/23/950602823.db2.gz JRYRMTYRQDQLQB-KRWDZBQOSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CCN1CCN(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001490494607 950749725 /nfs/dbraw/zinc/74/97/25/950749725.db2.gz LGXWOVPELYXEDL-IRXDYDNUSA-N 2 0 318.465 0.370 20 30 DCEDRP CC#CC[N@H+](C)CCOCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001331174187 950990572 /nfs/dbraw/zinc/99/05/72/950990572.db2.gz RPCYNIKKODRYPH-IYBDPMFKSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001490778004 951098858 /nfs/dbraw/zinc/09/88/58/951098858.db2.gz USOUBCPONUOITB-IRXDYDNUSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001331439012 951120032 /nfs/dbraw/zinc/12/00/32/951120032.db2.gz LNSLIKJAUBIPEV-HUUCEWRRSA-N 2 0 324.469 0.598 20 30 DCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001281168151 951346559 /nfs/dbraw/zinc/34/65/59/951346559.db2.gz QAHKJIJGMTYXTL-QGZVFWFLSA-N 2 0 309.454 0.847 20 30 DCEDRP CC#CC[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCOCC1 ZINC001281279941 951432595 /nfs/dbraw/zinc/43/25/95/951432595.db2.gz ILYBCGUTUNAZCJ-UHFFFAOYSA-N 2 0 305.422 0.361 20 30 DCEDRP COCC#CC[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001274255139 951515952 /nfs/dbraw/zinc/51/59/52/951515952.db2.gz YPNSVULQMPBZSR-SNAWJCMRSA-N 2 0 307.438 0.773 20 30 DCEDRP C=CCCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001274479965 951655779 /nfs/dbraw/zinc/65/57/79/951655779.db2.gz OJEGDLIGEVMCBM-MRXNPFEDSA-N 2 0 320.481 0.733 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001332607317 951718907 /nfs/dbraw/zinc/71/89/07/951718907.db2.gz SDOXCTVXNDZRCQ-DLBZAZTESA-N 2 0 323.481 0.929 20 30 DCEDRP C=C[C@@](C)(O)C[N@@H+]1CCC[C@@]12CCN(CCn1ccnc1)C2=O ZINC001274617344 951744545 /nfs/dbraw/zinc/74/45/45/951744545.db2.gz XKINGXLYOFBQJR-SJORKVTESA-N 2 0 318.421 0.887 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001274980975 951917441 /nfs/dbraw/zinc/91/74/41/951917441.db2.gz QLSCRYMKXUBEKS-OAHLLOKOSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001275043082 951939644 /nfs/dbraw/zinc/93/96/44/951939644.db2.gz YHXDBZFNUUTTPY-HNNXBMFYSA-N 2 0 322.453 0.048 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]C[C@H]2CCOC2)CC1 ZINC001275459285 952162582 /nfs/dbraw/zinc/16/25/82/952162582.db2.gz MPMVMNYAADKOQZ-LSDHHAIUSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)C[C@H]2CCOC2)CC1 ZINC001275729801 952411035 /nfs/dbraw/zinc/41/10/35/952411035.db2.gz PHYZFTDJMNIHEJ-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001490822833 953049909 /nfs/dbraw/zinc/04/99/09/953049909.db2.gz OIRJWUIWUCHQPS-LSDHHAIUSA-N 2 0 322.453 0.352 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC001341732434 953248323 /nfs/dbraw/zinc/24/83/23/953248323.db2.gz JXFPCCMRUXCXLD-JKSUJKDBSA-N 2 0 308.470 0.908 20 30 DCEDRP C#CC[NH2+]CC(C)(C)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001282330639 953548773 /nfs/dbraw/zinc/54/87/73/953548773.db2.gz YLPJCZAEBDETMR-UHFFFAOYSA-N 2 0 309.454 0.805 20 30 DCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC001345754161 953715525 /nfs/dbraw/zinc/71/55/25/953715525.db2.gz XRNOUSHXUFFMDE-ILXRZTDVSA-N 2 0 308.426 0.752 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CC#CCOC)C1 ZINC001480740024 954718031 /nfs/dbraw/zinc/71/80/31/954718031.db2.gz UPDBVRKWSKMCPN-MRXNPFEDSA-N 2 0 309.454 0.901 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001316651078 957035599 /nfs/dbraw/zinc/03/55/99/957035599.db2.gz MMZGSJZLKSBELP-YYIAUSFCSA-N 2 0 321.465 0.851 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001491624373 958963416 /nfs/dbraw/zinc/96/34/16/958963416.db2.gz XQJHIHIBNDHFDU-OAHLLOKOSA-N 2 0 309.454 0.851 20 30 DCEDRP CC1([NH+]2CCOCC2)CCC([NH2+][C@@H]2CCCN(O)C2=O)CC1 ZINC001308843890 960183936 /nfs/dbraw/zinc/18/39/36/960183936.db2.gz OQHIZUBGTFJYCG-NPCAHTBFSA-N 2 0 311.426 0.990 20 30 DCEDRP C=C(Br)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379599385 963246004 /nfs/dbraw/zinc/24/60/04/963246004.db2.gz MAHGXXBHTOSCNR-WDEREUQCSA-N 2 0 304.232 0.941 20 30 DCEDRP CN(C[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1)C(=O)CC[NH+](C)C ZINC001369485694 965059668 /nfs/dbraw/zinc/05/96/68/965059668.db2.gz PKNDGXBKSNPDES-INIZCTEOSA-N 2 0 318.421 0.419 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(C#N)cc1F ZINC001392392388 991863956 /nfs/dbraw/zinc/86/39/56/991863956.db2.gz KPABFXSTQDGWHS-CQSZACIVSA-N 2 0 322.384 0.216 20 30 DCEDRP C=C(Cl)C[NH2+]CC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001393775029 993244129 /nfs/dbraw/zinc/24/41/29/993244129.db2.gz DRZPZHJJLJMIJD-UHFFFAOYSA-N 2 0 303.834 0.634 20 30 DCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001502873630 1016112296 /nfs/dbraw/zinc/11/22/96/1016112296.db2.gz WIMGJUIECQAKGQ-CQSZACIVSA-N 2 0 315.433 0.795 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCOC)C2)CC1 ZINC001507427826 1016321518 /nfs/dbraw/zinc/32/15/18/1016321518.db2.gz LQUOYORDLLNRHO-WBVHZDCISA-N 2 0 321.465 0.853 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001507452203 1016335900 /nfs/dbraw/zinc/33/59/00/1016335900.db2.gz ITMLFNRHODMGKS-CABCVRRESA-N 2 0 307.438 0.415 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001507452205 1016337553 /nfs/dbraw/zinc/33/75/53/1016337553.db2.gz ITMLFNRHODMGKS-HUUCEWRRSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001505606380 1016351130 /nfs/dbraw/zinc/35/11/30/1016351130.db2.gz QVSLYAJYJNQMJZ-UONOGXRCSA-N 2 0 305.426 0.564 20 30 DCEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001419423024 1001039341 /nfs/dbraw/zinc/03/93/41/1001039341.db2.gz LTUDWMNPIQVRIB-MRVWCRGKSA-N 2 0 315.845 0.944 20 30 DCEDRP C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001508178220 1016687235 /nfs/dbraw/zinc/68/72/35/1016687235.db2.gz KMYWTJFWXPGSDD-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001406297453 1003579597 /nfs/dbraw/zinc/57/95/97/1003579597.db2.gz FXHODXHWRGYTAX-CHWSQXEVSA-N 2 0 303.834 0.680 20 30 DCEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001442041718 1008858725 /nfs/dbraw/zinc/85/87/25/1008858725.db2.gz BMBPCJKQMIVUEG-DGCLKSJQSA-N 2 0 303.834 0.802 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001479293963 1017483040 /nfs/dbraw/zinc/48/30/40/1017483040.db2.gz AUDSTXHJKLIYOX-HYVNUMGLSA-N 2 0 319.449 0.462 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001499352029 1017877879 /nfs/dbraw/zinc/87/78/79/1017877879.db2.gz IJCLIMXVGVYORR-UHFFFAOYSA-N 2 0 309.454 0.853 20 30 DCEDRP CC#CC[N@@H+](CCOC)C1CCN(C(=O)Cn2ccnc2)CC1 ZINC001499538691 1017963247 /nfs/dbraw/zinc/96/32/47/1017963247.db2.gz KRBPYXRKQZXJLU-UHFFFAOYSA-N 2 0 318.421 0.846 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001497308497 1018037419 /nfs/dbraw/zinc/03/74/19/1018037419.db2.gz UHYBOQZDYSKBKZ-UONOGXRCSA-N 2 0 322.453 0.257 20 30 DCEDRP CC#CC[NH2+]C/C=C/CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001497610485 1018271627 /nfs/dbraw/zinc/27/16/27/1018271627.db2.gz JIBZNKWQRXRPJQ-VOTSOKGWSA-N 2 0 307.438 0.630 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001480230473 1018342212 /nfs/dbraw/zinc/34/22/12/1018342212.db2.gz SMJBIUVPZCZZPQ-CALCHBBNSA-N 2 0 321.465 0.993 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C/C=C\CNC(=O)C[NH+]2CCCC2)C1=O ZINC001497751486 1018389587 /nfs/dbraw/zinc/38/95/87/1018389587.db2.gz ZLCQGHHEKRPHLL-ABCZVMIZSA-N 2 0 320.437 0.131 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001495667348 1018638137 /nfs/dbraw/zinc/63/81/37/1018638137.db2.gz QJWMVXOGURQZFT-HOTGVXAUSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001500763534 1018641535 /nfs/dbraw/zinc/64/15/35/1018641535.db2.gz VKHGTVHDIBTJEG-WBVHZDCISA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001480659767 1018750627 /nfs/dbraw/zinc/75/06/27/1018750627.db2.gz VMDMHIXIAAUSKC-AWEZNQCLSA-N 2 0 322.453 0.069 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001480674280 1018766480 /nfs/dbraw/zinc/76/64/80/1018766480.db2.gz MYGABGKDPPDAHT-HOTGVXAUSA-N 2 0 307.438 0.416 20 30 DCEDRP CC#CC[NH2+]C1CCN(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001501273020 1019000890 /nfs/dbraw/zinc/00/08/90/1019000890.db2.gz UCAOCBUGGKATIC-UHFFFAOYSA-N 2 0 320.481 0.522 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001493127782 1019123350 /nfs/dbraw/zinc/12/33/50/1019123350.db2.gz GCWHDSIILVRNFL-ULQDDVLXSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001496365032 1019270007 /nfs/dbraw/zinc/27/00/07/1019270007.db2.gz WKEFZMMDSHFSQL-CVEARBPZSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001501647517 1019355577 /nfs/dbraw/zinc/35/55/77/1019355577.db2.gz JXWRUFXDMNFOIH-CVEARBPZSA-N 2 0 309.454 0.969 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001628122592 1171519681 /nfs/dbraw/zinc/51/96/81/1171519681.db2.gz QVISSSIHCLNKRT-UHFFFAOYSA-N 2 0 310.442 0.163 20 30 DCEDRP [NH2+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCSCC1 ZINC000262550100 238176684 /nfs/dbraw/zinc/17/66/84/238176684.db2.gz XMQYIKXVDQZRRH-UHFFFAOYSA-N 2 0 312.483 0.995 20 30 DCEDRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2cccc(C#N)c2)CC1 ZINC000567700922 291371101 /nfs/dbraw/zinc/37/11/01/291371101.db2.gz UVZPHCWPNZZUBE-QGZVFWFLSA-N 2 0 302.422 0.299 20 30 DCEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264323879 396271304 /nfs/dbraw/zinc/27/13/04/396271304.db2.gz YHLOBJKLHAVMLP-AWEZNQCLSA-N 2 0 319.457 0.644 20 30 DCEDRP CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000595978006 396702085 /nfs/dbraw/zinc/70/20/85/396702085.db2.gz RPMXPKWSYYDYKU-HOTGVXAUSA-N 2 0 321.469 0.634 20 30 DCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(O)cc(C#N)c1 ZINC000589184470 396706899 /nfs/dbraw/zinc/70/68/99/396706899.db2.gz QZKHBKUWGIAVKD-UHFFFAOYSA-N 2 0 304.394 0.829 20 30 DCEDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cccc(C#N)c1 ZINC000104102828 415619511 /nfs/dbraw/zinc/61/95/11/415619511.db2.gz RXCZMMXKBULGGV-UHFFFAOYSA-N 2 0 324.450 0.672 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000419724861 416406540 /nfs/dbraw/zinc/40/65/40/416406540.db2.gz HQNZOKSUAKUINX-HNNXBMFYSA-N 2 0 324.469 0.633 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+]1CCCO ZINC000491819308 416631696 /nfs/dbraw/zinc/63/16/96/416631696.db2.gz SVCJHLYVHPTRCV-OAHLLOKOSA-N 2 0 310.442 0.088 20 30 DCEDRP CN1CCN(c2cc[nH+]cc2NC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000564572830 416892318 /nfs/dbraw/zinc/89/23/18/416892318.db2.gz VTEJJMHKHKTVNX-CYBMUJFWSA-N 2 0 316.409 0.793 20 30 DCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(C#N)c(O)c1 ZINC000527191736 417222064 /nfs/dbraw/zinc/22/20/64/417222064.db2.gz ZJVZYYQMRWEPFF-UHFFFAOYSA-N 2 0 304.394 0.829 20 30 DCEDRP C=CC[C@]1(C(=O)NC[C@@H](C)N2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000662756464 417891239 /nfs/dbraw/zinc/89/12/39/417891239.db2.gz HXOAJXOPWGXFPD-NVXWUHKLSA-N 2 0 308.470 0.827 20 30 DCEDRP C=CC[C@@]1(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CCC[NH2+]1 ZINC000662758894 417894676 /nfs/dbraw/zinc/89/46/76/417894676.db2.gz VASVDNDCAKYQEN-WBVHZDCISA-N 2 0 308.470 0.684 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000245385849 275383689 /nfs/dbraw/zinc/38/36/89/275383689.db2.gz HRZRXYNHTMSUKQ-OWCLPIDISA-N 2 0 321.465 0.946 20 30 DCEDRP COCC#CCN1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001567920665 1160535106 /nfs/dbraw/zinc/53/51/06/1160535106.db2.gz JFUKVIJEVHASGZ-MRXNPFEDSA-N 2 0 307.438 0.511 20 30 DCEDRP COCC#CCN1CC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001567921912 1160536783 /nfs/dbraw/zinc/53/67/83/1160536783.db2.gz IVRREIBKQMUPIU-HZPDHXFCSA-N 2 0 307.438 0.511 20 30 DCEDRP Cn1nccc1[C@H]1[C@H](CNC(=[NH2+])N2CCOCC2)CCC[N@@H+]1C ZINC000262674565 534321490 /nfs/dbraw/zinc/32/14/90/534321490.db2.gz SQISFGQASQASSE-DZGCQCFKSA-N 2 0 320.441 0.450 20 30 DCEDRP C[NH+]=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC1CC1 ZINC000264074805 526354882 /nfs/dbraw/zinc/35/48/82/526354882.db2.gz SNTAWLSLPNIIRP-UHFFFAOYSA-N 3 0 316.453 0.921 20 30 DCEDRP C[NH+]=C(NC[C@H](C)N1CC[NH+](C)CC1)N(C)Cc1ccon1 ZINC000261783854 526375385 /nfs/dbraw/zinc/37/53/85/526375385.db2.gz PPOHPJPRCAMYCA-ZDUSSCGKSA-N 2 0 308.430 0.318 20 30 DCEDRP C[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000262363171 526379196 /nfs/dbraw/zinc/37/91/96/526379196.db2.gz HFASLNJCOMKQEE-LALPHHSUSA-N 2 0 312.483 0.645 20 30 DCEDRP CC[NH+](CC)[C@@H]1CCN(C(NC[C@@]2(O)CCSC2)=[NH+]C)C1 ZINC000262447161 528248213 /nfs/dbraw/zinc/24/82/13/528248213.db2.gz VLDWUQJVCRIUBQ-HIFRSBDPSA-N 2 0 314.499 0.846 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]([C@@H](C)[NH2+]C(C)C)C2)CC1 ZINC000979457689 660750716 /nfs/dbraw/zinc/75/07/16/660750716.db2.gz MNRQFODCFQCYAA-NVXWUHKLSA-N 2 0 321.465 0.946 20 30 DCEDRP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000981095252 661077765 /nfs/dbraw/zinc/07/77/65/661077765.db2.gz VJAYEBHQVSBHPO-HUUCEWRRSA-N 2 0 317.437 0.709 20 30 DCEDRP C#CC[N@H+]1CCC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001028193678 661269789 /nfs/dbraw/zinc/26/97/89/661269789.db2.gz YALCFAUSBJMLEU-HNNXBMFYSA-N 2 0 303.410 0.272 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CCS(=O)(=O)CC1 ZINC000158343520 657891024 /nfs/dbraw/zinc/89/10/24/657891024.db2.gz PEMQKKVWOUNIAF-ZDUSSCGKSA-N 2 0 316.471 0.200 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001021904671 658638406 /nfs/dbraw/zinc/63/84/06/658638406.db2.gz BPHLZGKCHJWRRH-LJISPDSOSA-N 2 0 320.437 0.104 20 30 DCEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000970170213 658687917 /nfs/dbraw/zinc/68/79/17/658687917.db2.gz QJAJVTIODZKTIE-DFFOAJLQSA-N 2 0 319.449 0.862 20 30 DCEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000970170496 658688969 /nfs/dbraw/zinc/68/89/69/658688969.db2.gz STJITZSQIPWMJE-GEMJLEDKSA-N 2 0 317.433 0.309 20 30 DCEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCN3CCOCC3)C[C@H]12 ZINC001026378175 659259887 /nfs/dbraw/zinc/25/98/87/659259887.db2.gz UMERZQJUFXWDPO-OWCLPIDISA-N 2 0 307.438 0.721 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2[C@H](C)COC)CC1 ZINC001028333550 661462576 /nfs/dbraw/zinc/46/25/76/661462576.db2.gz NZDHDVNOKDATOJ-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C(C)(C)C1 ZINC000940648942 665822408 /nfs/dbraw/zinc/82/24/08/665822408.db2.gz JXKMYBSIIRVVFT-LSDHHAIUSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C ZINC000987164202 662650046 /nfs/dbraw/zinc/65/00/46/662650046.db2.gz AMPSZJUZVKSGSZ-UKRRQHHQSA-N 2 0 303.410 0.271 20 30 DCEDRP CN1CC[N@H+](C)CC(C(=O)N(CCC#N)CCC[NH+](C)C)C1 ZINC000906414601 663615735 /nfs/dbraw/zinc/61/57/35/663615735.db2.gz RVJABOZBOINZOQ-UHFFFAOYSA-N 2 0 309.458 0.174 20 30 DCEDRP CC#CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001001076316 665990325 /nfs/dbraw/zinc/99/03/25/665990325.db2.gz NDSJCFJZLMYWIJ-QGZVFWFLSA-N 2 0 319.449 0.867 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)NCCCn2ccnc2C)CC1 ZINC000914248510 664767432 /nfs/dbraw/zinc/76/74/32/664767432.db2.gz SVEJJAVDSLFRNP-UHFFFAOYSA-N 2 0 303.410 0.978 20 30 DCEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001031689585 665290914 /nfs/dbraw/zinc/29/09/14/665290914.db2.gz WPRMMJVPGMATDW-HOTGVXAUSA-N 2 0 307.438 0.864 20 30 DCEDRP C#CCN1CC[C@H](N(C)C(=O)c2cc([C@H]3CCCN3C)[nH]n2)C1 ZINC001033096561 666503273 /nfs/dbraw/zinc/50/32/73/666503273.db2.gz MXUOQTZGHWCQEC-XJKSGUPXSA-N 2 0 315.421 0.956 20 30 DCEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033279728 666659569 /nfs/dbraw/zinc/65/95/69/666659569.db2.gz WQXFGNRXODWLTP-GWUWNPHMSA-N 2 0 305.422 0.568 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490521 666731069 /nfs/dbraw/zinc/73/10/69/666731069.db2.gz SPPSJVHDPUAPKC-MRXNPFEDSA-N 2 0 317.437 0.614 20 30 DCEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC000997437106 667287242 /nfs/dbraw/zinc/28/72/42/667287242.db2.gz XEIHVYSMOWPWEX-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP CCO[C@H](CC[NH+](C)C)CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884229938 667505667 /nfs/dbraw/zinc/50/56/67/667505667.db2.gz FLDRTIZVPBCIMC-KRIMKBQASA-N 2 0 322.453 0.599 20 30 DCEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884233175 667506442 /nfs/dbraw/zinc/50/64/42/667506442.db2.gz LAGCBWREKXOMKD-MLKZBXRZSA-N 2 0 302.422 0.725 20 30 DCEDRP C[C@@H]1C[C@H](C)N(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[C@H]1C[NH3+] ZINC000884348063 667529601 /nfs/dbraw/zinc/52/96/01/667529601.db2.gz MUCOGTKTYFQQGN-GQZSBWEKSA-N 2 0 304.438 0.958 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021990 667699102 /nfs/dbraw/zinc/69/91/02/667699102.db2.gz MDTOYSXYVOOXPV-ZACQAIPSSA-N 3 0 320.481 0.282 20 30 DCEDRP C#CCC[NH+]1CCC(NC(=O)CCN2CC[NH+](CC)CC2)CC1 ZINC000743493445 667809353 /nfs/dbraw/zinc/80/93/53/667809353.db2.gz TXZITAXGTBMDIE-UHFFFAOYSA-N 2 0 320.481 0.618 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000747568420 667907109 /nfs/dbraw/zinc/90/71/09/667907109.db2.gz VDKQGORVTHSFPL-WCXIOVBPSA-N 2 0 319.449 0.794 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)Nc1cccnc1 ZINC000104183663 667964283 /nfs/dbraw/zinc/96/42/83/667964283.db2.gz KVIRFJQXLNAQGT-CYBMUJFWSA-N 2 0 304.398 0.409 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000764631653 668455614 /nfs/dbraw/zinc/45/56/14/668455614.db2.gz UCBCSRKAVYKFPM-QGZVFWFLSA-N 2 0 317.433 0.640 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000876519751 668460144 /nfs/dbraw/zinc/46/01/44/668460144.db2.gz MIJNYBVBWJFJSU-LBPRGKRZSA-N 2 0 309.801 0.900 20 30 DCEDRP COC(=O)CC[NH+]1CCC(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)CC1 ZINC000788722526 669456478 /nfs/dbraw/zinc/45/64/78/669456478.db2.gz XAWWNLHREOERRN-OKILXGFUSA-N 2 0 321.425 0.861 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCO2 ZINC000949118176 670263388 /nfs/dbraw/zinc/26/33/88/670263388.db2.gz HDVNIWCIJSFEMS-INIZCTEOSA-N 2 0 321.465 0.899 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000848063786 670629658 /nfs/dbraw/zinc/62/96/58/670629658.db2.gz MFAGZROMFOFXKU-UHFFFAOYSA-N 2 0 324.469 0.553 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)CC1 ZINC000816750767 670857914 /nfs/dbraw/zinc/85/79/14/670857914.db2.gz RNSFVILNVZXJCK-IAGOWNOFSA-N 2 0 319.449 0.653 20 30 DCEDRP C=CC[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccncc1 ZINC000819074088 671091626 /nfs/dbraw/zinc/09/16/26/671091626.db2.gz LIYWYYGGBHMXCK-IAGOWNOFSA-N 2 0 304.438 0.897 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NC[C@H]1CCCN1C(=O)C(=C)C[NH+](C)C ZINC000830242922 671620656 /nfs/dbraw/zinc/62/06/56/671620656.db2.gz RJOZKBIHYYCBDJ-OAHLLOKOSA-N 2 0 322.453 0.329 20 30 DCEDRP C[NH+]=C(NCCN1CCOCC1)NCC1([NH+](C)C)CCCC1 ZINC000848981208 685370129 /nfs/dbraw/zinc/37/01/29/685370129.db2.gz CAHDQQCHAUWALG-UHFFFAOYSA-N 2 0 311.474 0.358 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](CCOC)CC2)CC1 ZINC000171292919 685141744 /nfs/dbraw/zinc/14/17/44/685141744.db2.gz XQMTUIOAHQWSOA-UHFFFAOYSA-N 2 0 321.465 0.806 20 30 DCEDRP CC(C)CCNC(=[NH2+])NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000303986780 685209177 /nfs/dbraw/zinc/20/91/77/685209177.db2.gz UWPSMKVZAAUMQP-CQSZACIVSA-N 2 0 311.474 0.880 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NC1CCCCC1 ZINC000303986935 685210015 /nfs/dbraw/zinc/21/00/15/685210015.db2.gz UZENTTKOEQSTMJ-CQSZACIVSA-N 2 0 309.458 0.824 20 30 DCEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000304824671 685211491 /nfs/dbraw/zinc/21/14/91/685211491.db2.gz FWSRGSPZAVMTTA-HUUCEWRRSA-N 3 0 313.490 0.732 20 30 DCEDRP CC#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958261772 687490329 /nfs/dbraw/zinc/49/03/29/687490329.db2.gz AQGUNGOFRCYNIO-HOCLYGCPSA-N 2 0 312.373 0.380 20 30 DCEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](O)C1 ZINC000958580319 687767860 /nfs/dbraw/zinc/76/78/60/687767860.db2.gz FJTCNNZYMBDZMA-IAGOWNOFSA-N 2 0 321.465 0.703 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](C[C@H](C)OC)C2)CC1 ZINC001009631453 691077816 /nfs/dbraw/zinc/07/78/16/691077816.db2.gz YRIWZFDOEYUMNE-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC23CC[NH+](CCO)CC3)CC1 ZINC001016985635 692821433 /nfs/dbraw/zinc/82/14/33/692821433.db2.gz LPRQMDZSLQEFPM-MRXNPFEDSA-N 2 0 319.449 0.295 20 30 DCEDRP C#CCC[N@H+]1CCC2(CN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001073086977 694703830 /nfs/dbraw/zinc/70/38/30/694703830.db2.gz DQUHNWXFPYAYEW-UHFFFAOYSA-N 2 0 319.449 0.655 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001073661688 694761696 /nfs/dbraw/zinc/76/16/96/694761696.db2.gz BSSQWVFYEJZVKO-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073755493 694777628 /nfs/dbraw/zinc/77/76/28/694777628.db2.gz ALQCYLTVMPUPAA-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073756132 694777654 /nfs/dbraw/zinc/77/76/54/694777654.db2.gz UCLQYYNNSNDAHS-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP CC#CC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001570718444 1162597664 /nfs/dbraw/zinc/59/76/64/1162597664.db2.gz WJGCSBFITJLXDT-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP CC[C@H](C(=O)N1C[C@H]([NH2+]CC#CCOC)C(C)(C)C1)[NH+](C)C ZINC001571566666 1162813369 /nfs/dbraw/zinc/81/33/69/1162813369.db2.gz XMJPCKYCSDNJOB-CABCVRRESA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CC ZINC001670586908 1157466345 /nfs/dbraw/zinc/46/63/45/1157466345.db2.gz CIBDIUHLBISXKL-CABCVRRESA-N 2 0 324.469 0.457 20 30 DCEDRP COCC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001754631373 1157810116 /nfs/dbraw/zinc/81/01/16/1157810116.db2.gz OSNUZOMYPXSVFH-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CCCOC)CC1 ZINC001565835272 1159905716 /nfs/dbraw/zinc/90/57/16/1159905716.db2.gz KJZGAZUGSVEALV-QGZVFWFLSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[N@@H+](C)CCOCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001566059516 1159957332 /nfs/dbraw/zinc/95/73/32/1159957332.db2.gz VETMAOTURKUMAN-INIZCTEOSA-N 2 0 307.438 0.368 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001567154340 1160258980 /nfs/dbraw/zinc/25/89/80/1160258980.db2.gz DXWYUYACLJHSFL-KRWDZBQOSA-N 2 0 321.465 0.950 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1=O ZINC001567496870 1160396510 /nfs/dbraw/zinc/39/65/10/1160396510.db2.gz AEUUVZZVFYMSFR-RBSFLKMASA-N 2 0 322.453 0.162 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]C[C@H](C)O)CC1 ZINC001568153047 1160586471 /nfs/dbraw/zinc/58/64/71/1160586471.db2.gz HGNZTADVJVRJSX-GOEBONIOSA-N 2 0 307.438 0.293 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001569090693 1160939726 /nfs/dbraw/zinc/93/97/26/1160939726.db2.gz QLSCRYMKXUBEKS-HNNXBMFYSA-N 2 0 321.465 0.853 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001569307080 1161006455 /nfs/dbraw/zinc/00/64/55/1161006455.db2.gz AZHOKXVMMXXECU-JKSUJKDBSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CC[NH2+]C1CCN(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001569888789 1161297005 /nfs/dbraw/zinc/29/70/05/1161297005.db2.gz RVDLUTFNICEARJ-UHFFFAOYSA-N 2 0 308.470 0.684 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001569968797 1161356598 /nfs/dbraw/zinc/35/65/98/1161356598.db2.gz OTUBYXUUEASMSA-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001570126275 1161426991 /nfs/dbraw/zinc/42/69/91/1161426991.db2.gz JCVMFBQCNBABEI-UHFFFAOYSA-N 2 0 308.426 0.013 20 30 DCEDRP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC#CCOC)CC1)[NH+](C)C ZINC001570184241 1161485732 /nfs/dbraw/zinc/48/57/32/1161485732.db2.gz ZLFJSBSYIGLJJP-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001570285177 1161543076 /nfs/dbraw/zinc/54/30/76/1161543076.db2.gz AKJQFEQLOZZDGX-SJLPKXTDSA-N 2 0 321.465 0.827 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001570289183 1161546752 /nfs/dbraw/zinc/54/67/52/1161546752.db2.gz JPCBIHYVKDFTRU-DOTOQJQBSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001570291195 1161547643 /nfs/dbraw/zinc/54/76/43/1161547643.db2.gz MPNPKZFGDAIBJN-RDJZCZTQSA-N 2 0 307.438 0.295 20 30 DCEDRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@H]([NH3+])CCCC#N ZINC001578421424 1165009935 /nfs/dbraw/zinc/00/99/35/1165009935.db2.gz QJAJLJUKWAEPEH-CYBMUJFWSA-N 2 0 317.393 0.807 20 30 DCEDRP N#CC1(C[C@@H](O)C[NH+]2CCC3(CC2)C[NH2+]CCO3)CCOCC1 ZINC001580038641 1165481068 /nfs/dbraw/zinc/48/10/68/1165481068.db2.gz PNNLFIOLZOGVHZ-OAHLLOKOSA-N 2 0 323.437 0.512 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001580043881 1165484425 /nfs/dbraw/zinc/48/44/25/1165484425.db2.gz SAPLZHYOCLDQKI-IUODEOHRSA-N 2 0 314.393 0.461 20 30 DCEDRP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NCC#CC[NH+](C)C ZINC001639133743 1171823232 /nfs/dbraw/zinc/82/32/32/1171823232.db2.gz ITVILDSRDCOEIX-UHFFFAOYSA-N 2 0 322.453 0.305 20 30 DCEDRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001646149805 1172274767 /nfs/dbraw/zinc/27/47/67/1172274767.db2.gz CEOHBKHUMOTOGV-QVCPJDEESA-N 2 0 304.438 0.924 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1Cc3ccccc3C[NH2+]1)C2 ZINC001649976577 1173353502 /nfs/dbraw/zinc/35/35/02/1173353502.db2.gz IRHXDSRUVIXPJT-VZDIDWBNSA-N 2 0 324.428 0.956 20 30 DCEDRP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001656780280 1173884096 /nfs/dbraw/zinc/88/40/96/1173884096.db2.gz SQILACRHBGXJDA-HOTGVXAUSA-N 2 0 309.454 0.635 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001660369259 1173984951 /nfs/dbraw/zinc/98/49/51/1173984951.db2.gz UWHGIDHPWPWWRS-AWEZNQCLSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CC[NH+]1CCN(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001660930963 1174070895 /nfs/dbraw/zinc/07/08/95/1174070895.db2.gz WTSYGFURHWPNKX-SJORKVTESA-N 2 0 320.481 0.923 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001662686067 1174232067 /nfs/dbraw/zinc/23/20/67/1174232067.db2.gz VQFNFQRULLHVFJ-GJZGRUSLSA-N 2 0 322.453 0.069 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001662723833 1174235700 /nfs/dbraw/zinc/23/57/00/1174235700.db2.gz XNAKDEIDPFWIHG-GJZGRUSLSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001663536893 1174316472 /nfs/dbraw/zinc/31/64/72/1174316472.db2.gz GPFWHZMCXHVMGV-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CC#CCOC)C1 ZINC001667695532 1174703286 /nfs/dbraw/zinc/70/32/86/1174703286.db2.gz XXXRZUCSBJJEPF-DLBZAZTESA-N 2 0 321.465 0.901 20 30 DCEDRP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001671810843 1175038490 /nfs/dbraw/zinc/03/84/90/1175038490.db2.gz TZTZQJOKVDSHIE-FUHWJXTLSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001672247491 1175092426 /nfs/dbraw/zinc/09/24/26/1175092426.db2.gz WQPHBHVNLCLZFM-LSDHHAIUSA-N 2 0 322.453 0.211 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001672538511 1175123003 /nfs/dbraw/zinc/12/30/03/1175123003.db2.gz RRVQSIBBOMAUPI-IAGOWNOFSA-N 2 0 319.449 0.797 20 30 DCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CCO1 ZINC001673323074 1175190271 /nfs/dbraw/zinc/19/02/71/1175190271.db2.gz SOFRUXOCNNTDKP-HNNXBMFYSA-N 2 0 321.425 0.061 20 30 DCEDRP C=C(C)CC[NH2+][C@@]1(CO)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001673703207 1175226810 /nfs/dbraw/zinc/22/68/10/1175226810.db2.gz GIWMTCWMNSFLBG-KRWDZBQOSA-N 2 0 309.454 0.992 20 30 DCEDRP CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001673997340 1175244053 /nfs/dbraw/zinc/24/40/53/1175244053.db2.gz QCZMTGWRZWNAHI-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001675543882 1175371036 /nfs/dbraw/zinc/37/10/36/1175371036.db2.gz DKYOWGLRUKBVPP-VQHPVUNQSA-N 2 0 319.449 0.272 20 30 DCEDRP C#CC[N@H+](C)CCOCCNC(=O)[C@@H]1CCn2cncc2C1 ZINC001676114701 1175422105 /nfs/dbraw/zinc/42/21/05/1175422105.db2.gz OEXBVXOWTMIPGV-CQSZACIVSA-N 2 0 304.394 0.143 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001676414237 1175445305 /nfs/dbraw/zinc/44/53/05/1175445305.db2.gz XPGIANSBOXFAGD-UONOGXRCSA-N 2 0 324.469 0.455 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCOC)[C@H]2C)CC1 ZINC001676695302 1175477688 /nfs/dbraw/zinc/47/76/88/1175477688.db2.gz WNRJMVSYFPRCCL-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC001687889458 1175593612 /nfs/dbraw/zinc/59/36/12/1175593612.db2.gz YSVNZAPHQCUPJM-UHFFFAOYSA-N 2 0 317.437 0.720 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC001685772429 1176042271 /nfs/dbraw/zinc/04/22/71/1176042271.db2.gz IMGFARYXLITFQH-INIZCTEOSA-N 2 0 306.454 0.925 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001687890204 1176298809 /nfs/dbraw/zinc/29/88/09/1176298809.db2.gz FBTJRDUDWYKLIO-JYJNAYRXSA-N 2 0 306.454 0.923 20 30 DCEDRP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001689207980 1176741317 /nfs/dbraw/zinc/74/13/17/1176741317.db2.gz GLBJRHUKJFXSMI-IAGOWNOFSA-N 2 0 323.481 0.881 20 30 DCEDRP C=CCC[NH+]1CCN(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001690079553 1177163775 /nfs/dbraw/zinc/16/37/75/1177163775.db2.gz KHKMCAGXMURVGV-MRXNPFEDSA-N 2 0 308.470 0.638 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2cnc(C)o2)CC1 ZINC001690650710 1177294210 /nfs/dbraw/zinc/29/42/10/1177294210.db2.gz PXHGJMXQXCRYMD-CYBMUJFWSA-N 2 0 318.421 0.923 20 30 DCEDRP C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001691907189 1177380960 /nfs/dbraw/zinc/38/09/60/1177380960.db2.gz IBBYVXCSVQEGRW-UHFFFAOYSA-N 2 0 317.393 0.006 20 30 DCEDRP COCC#CC[N@H+](C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001698997485 1177761244 /nfs/dbraw/zinc/76/12/44/1177761244.db2.gz OQCRESFAUTWCHJ-UHFFFAOYSA-N 2 0 309.454 0.758 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699260886 1178002340 /nfs/dbraw/zinc/00/23/40/1178002340.db2.gz MCHSMYBMRIWFBT-ZQXYTJGRSA-N 2 0 322.453 0.279 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699512710 1178174593 /nfs/dbraw/zinc/17/45/93/1178174593.db2.gz MLDIGAUGQFVRJU-ZIAGYGMSSA-N 2 0 310.442 0.067 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001699669759 1178245665 /nfs/dbraw/zinc/24/56/65/1178245665.db2.gz KVYRGGVCGPEUAO-UONOGXRCSA-N 2 0 322.453 0.257 20 30 DCEDRP COCC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001699987466 1178407759 /nfs/dbraw/zinc/40/77/59/1178407759.db2.gz LTAPTKDZWHDOAO-WCXIOVBPSA-N 2 0 319.449 0.367 20 30 DCEDRP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001700405793 1178608865 /nfs/dbraw/zinc/60/88/65/1178608865.db2.gz UFIBJLYAXSQNEQ-GJZGRUSLSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001700430964 1178615308 /nfs/dbraw/zinc/61/53/08/1178615308.db2.gz OSOPTXLLTVYDQB-HZPDHXFCSA-N 2 0 309.454 0.995 20 30 DCEDRP CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001700602257 1178675055 /nfs/dbraw/zinc/67/50/55/1178675055.db2.gz DCCCHZLMTCRPJC-LSDHHAIUSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)c1sccc1C[NH+](C)C ZINC001700790726 1178745721 /nfs/dbraw/zinc/74/57/21/1178745721.db2.gz LBWYXAOHOGRYIC-CYBMUJFWSA-N 2 0 309.435 0.513 20 30 DCEDRP CC#CC[N@H+](C)CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001707408383 1180492178 /nfs/dbraw/zinc/49/21/78/1180492178.db2.gz RPOUEQQPLGGXPY-UHFFFAOYSA-N 2 0 305.426 0.520 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001713070428 1180663435 /nfs/dbraw/zinc/66/34/35/1180663435.db2.gz KXLVWBJICXMXBE-UHFFFAOYSA-N 2 0 306.454 0.085 20 30 DCEDRP C#CCC[NH+]1CCN(CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001713076972 1180669301 /nfs/dbraw/zinc/66/93/01/1180669301.db2.gz LXAOLYXQGAUADI-MRXNPFEDSA-N 2 0 306.454 0.085 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001713513384 1180886307 /nfs/dbraw/zinc/88/63/07/1180886307.db2.gz DKSWSTJTXGSFIL-HZPDHXFCSA-N 2 0 309.454 0.803 20 30 DCEDRP COCC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001713654547 1180999666 /nfs/dbraw/zinc/99/96/66/1180999666.db2.gz FGFIIGVHSZJDEF-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001713958891 1181173108 /nfs/dbraw/zinc/17/31/08/1181173108.db2.gz UDRYEIWYNDGXGW-BPLDGKMQSA-N 2 0 322.453 0.256 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001714796364 1181553092 /nfs/dbraw/zinc/55/30/92/1181553092.db2.gz FVOWKPKEXXTXEY-OAHLLOKOSA-N 2 0 322.453 0.048 20 30 DCEDRP CC#CC[N@H+](C)CCOCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001717709861 1182962663 /nfs/dbraw/zinc/96/26/63/1182962663.db2.gz AIZDXWSHSYRTQA-MRXNPFEDSA-N 2 0 307.438 0.416 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001723329975 1184288388 /nfs/dbraw/zinc/28/83/88/1184288388.db2.gz WFUPPXKFZGWCSL-HNNXBMFYSA-N 2 0 322.453 0.115 20 30 DCEDRP C=C(C)C[NH2+]C1(CNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001723518285 1184322360 /nfs/dbraw/zinc/32/23/60/1184322360.db2.gz VKAKHLODCRZXJR-UHFFFAOYSA-N 2 0 305.426 0.873 20 30 DCEDRP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001724552656 1184462312 /nfs/dbraw/zinc/46/23/12/1184462312.db2.gz DVHZFIYHNIOXLC-CVEARBPZSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001725188454 1184713601 /nfs/dbraw/zinc/71/36/01/1184713601.db2.gz GYVYBUQHOGRNTQ-AWEZNQCLSA-N 2 0 305.426 0.518 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001725490436 1184843808 /nfs/dbraw/zinc/84/38/08/1184843808.db2.gz OBMPZJUOVFTIGQ-HOCLYGCPSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C ZINC001725745070 1184980606 /nfs/dbraw/zinc/98/06/06/1184980606.db2.gz KLUPXFPGAJUTQL-ZIAGYGMSSA-N 2 0 324.469 0.197 20 30 DCEDRP CC#CC[N@H+](CC)CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001731323710 1185268004 /nfs/dbraw/zinc/26/80/04/1185268004.db2.gz GUZYJLSNMXGFQQ-MRXNPFEDSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC#CCOC)C2)CC1 ZINC001731492882 1185358902 /nfs/dbraw/zinc/35/89/02/1185358902.db2.gz JFZPBHFGBWYKNF-CALCHBBNSA-N 2 0 317.433 0.218 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001732171194 1185719023 /nfs/dbraw/zinc/71/90/23/1185719023.db2.gz RDZNFIYWSBFOIU-OAHLLOKOSA-N 2 0 307.438 0.653 20 30 DCEDRP CC[C@@H](C(=O)NCC1([NH2+]CC#CCOC)CCCC1)[NH+](C)C ZINC001732399427 1185799817 /nfs/dbraw/zinc/79/98/17/1185799817.db2.gz HZCWPOKNYKUTRJ-HNNXBMFYSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001732493615 1185835118 /nfs/dbraw/zinc/83/51/18/1185835118.db2.gz DPWPHXGXLJOTPL-HUUCEWRRSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C[C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001732999670 1186096896 /nfs/dbraw/zinc/09/68/96/1186096896.db2.gz WTNFFHYXLRKHAZ-ZFWWWQNUSA-N 2 0 322.453 0.352 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C)C1=O ZINC001733001234 1186098137 /nfs/dbraw/zinc/09/81/37/1186098137.db2.gz CAOUCCMQLZQXRR-BFHYXJOUSA-N 2 0 310.442 0.208 20 30 DCEDRP CC#CC[NH2+][C@H](CO)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001734371413 1186629841 /nfs/dbraw/zinc/62/98/41/1186629841.db2.gz LMXBBBSHZIISKK-HNNXBMFYSA-N 2 0 309.454 0.589 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001734528314 1186678477 /nfs/dbraw/zinc/67/84/77/1186678477.db2.gz WGTXMHMCOWJXSA-HOTGVXAUSA-N 2 0 309.454 0.682 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001734536257 1186682031 /nfs/dbraw/zinc/68/20/31/1186682031.db2.gz IEINORDJXDHJLN-HOTGVXAUSA-N 2 0 309.454 0.539 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C)C1=O ZINC001752921483 1188461906 /nfs/dbraw/zinc/46/19/06/1188461906.db2.gz SKYWHRNETBIVAB-KBPBESRZSA-N 2 0 310.442 0.208 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001752997707 1188473815 /nfs/dbraw/zinc/47/38/15/1188473815.db2.gz XUYZPDHLTYCKEG-IAGOWNOFSA-N 2 0 321.465 0.901 20 30 DCEDRP CC#CC[NH2+][C@@H](CC)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001753473436 1188605682 /nfs/dbraw/zinc/60/56/82/1188605682.db2.gz JASNBJHSHQAUCI-AWEZNQCLSA-N 2 0 305.426 0.566 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001754103498 1188740523 /nfs/dbraw/zinc/74/05/23/1188740523.db2.gz KUFNZWPYMPGTEJ-VQGNRHNMSA-N 2 0 320.437 0.130 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001755089960 1189018935 /nfs/dbraw/zinc/01/89/35/1189018935.db2.gz BMTPDBYFLNABIT-SFHVURJKSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+][C@H](C)C(N)=O ZINC001755282330 1189069143 /nfs/dbraw/zinc/06/91/43/1189069143.db2.gz NTTDUOXVWIZOSW-KGLIPLIRSA-N 2 0 322.453 0.032 20 30 DCEDRP C=CC[N@@H+](CCO)C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001098532762 747018930 /nfs/dbraw/zinc/01/89/30/747018930.db2.gz DACLLSIAKAMYME-UHFFFAOYSA-N 2 0 313.442 0.036 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249508 747424680 /nfs/dbraw/zinc/42/46/80/747424680.db2.gz IKBXTYKTVNGNPX-JKSUJKDBSA-N 2 0 319.449 0.960 20 30 DCEDRP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3ccnc3C)[C@H]2C1 ZINC001083276318 747730675 /nfs/dbraw/zinc/73/06/75/747730675.db2.gz XSFJFTPSLFQWLE-LSDHHAIUSA-N 2 0 304.394 0.679 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001100827454 748139424 /nfs/dbraw/zinc/13/94/24/748139424.db2.gz GHZBCEKXVLEWCO-NFOMZHRRSA-N 2 0 324.469 0.503 20 30 DCEDRP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105657775 749954001 /nfs/dbraw/zinc/95/40/01/749954001.db2.gz ATEOGLVFUJLQNU-XYVMCAHJSA-N 2 0 321.465 0.537 20 30 DCEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757209 749979112 /nfs/dbraw/zinc/97/91/12/749979112.db2.gz NKNNDJRPYBOWGY-LQCZDEPNSA-N 2 0 303.406 0.062 20 30 DCEDRP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001077091037 750193108 /nfs/dbraw/zinc/19/31/08/750193108.db2.gz KAAQSAKSHIOICM-OWCLPIDISA-N 2 0 309.454 0.988 20 30 DCEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1C ZINC001105973957 750613130 /nfs/dbraw/zinc/61/31/30/750613130.db2.gz IANTUPTXPNKXNA-BZUAXINKSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCCO[C@H](C[NH2+]C(C)C)C2)CC1 ZINC001078510895 753279676 /nfs/dbraw/zinc/27/96/76/753279676.db2.gz DEPDYQLRSMLDJS-QGZVFWFLSA-N 2 0 321.465 0.947 20 30 DCEDRP C=C(C)C[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001046010132 753412775 /nfs/dbraw/zinc/41/27/75/753412775.db2.gz JALBDZPRZPLNOC-SJORKVTESA-N 2 0 320.481 0.875 20 30 DCEDRP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC001046041260 753444407 /nfs/dbraw/zinc/44/44/07/753444407.db2.gz PKHQEWQIRSPLAX-SJORKVTESA-N 2 0 318.465 0.322 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCCO)C2)CC1 ZINC001046849546 753979153 /nfs/dbraw/zinc/97/91/53/753979153.db2.gz GTDAMJXJRIOKCO-KRWDZBQOSA-N 2 0 307.438 0.295 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001047577487 754405770 /nfs/dbraw/zinc/40/57/70/754405770.db2.gz ONYBSWZKCZVXNS-HOTGVXAUSA-N 2 0 309.454 0.798 20 30 DCEDRP C=CC[N@@H+](CCO)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001098466631 762304830 /nfs/dbraw/zinc/30/48/30/762304830.db2.gz PMEGGNVXECEMOL-UHFFFAOYSA-N 2 0 309.454 0.800 20 30 DCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129276666 754842709 /nfs/dbraw/zinc/84/27/09/754842709.db2.gz QYAPCOXJUCMKIG-ILXRZTDVSA-N 2 0 320.441 0.536 20 30 DCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]2C1 ZINC001048825261 754963119 /nfs/dbraw/zinc/96/31/19/754963119.db2.gz NRQISAROYSLAIP-GASCZTMLSA-N 2 0 315.421 0.082 20 30 DCEDRP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048834134 754967859 /nfs/dbraw/zinc/96/78/59/754967859.db2.gz ZVCOMEPLZCFEFL-QXSJWSMHSA-N 2 0 305.422 0.426 20 30 DCEDRP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943434 755032708 /nfs/dbraw/zinc/03/27/08/755032708.db2.gz DEBGMYFBZBITHR-OWQJAQGESA-N 2 0 317.433 0.426 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCO)CC1 ZINC001049921511 755448062 /nfs/dbraw/zinc/44/80/62/755448062.db2.gz WSMTXAJMSZIFJO-SJORKVTESA-N 2 0 319.449 0.389 20 30 DCEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001097564035 755680406 /nfs/dbraw/zinc/68/04/06/755680406.db2.gz XMCDKDUBMDDJDJ-PQIGMKOUSA-N 2 0 317.433 0.757 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080593063 756249675 /nfs/dbraw/zinc/24/96/75/756249675.db2.gz HIQJIMSKHVZTNF-GDBMZVCRSA-N 2 0 317.437 0.518 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC#CC)C[C@H]2C)CC1 ZINC001080997432 756416753 /nfs/dbraw/zinc/41/67/53/756416753.db2.gz CYWKHCFOZLQKEC-NVXWUHKLSA-N 2 0 301.434 0.791 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1C ZINC001054797366 756642855 /nfs/dbraw/zinc/64/28/55/756642855.db2.gz FXDJLJJGHQZDSH-LSDHHAIUSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H](OC)C1 ZINC001082052988 756908324 /nfs/dbraw/zinc/90/83/24/756908324.db2.gz SHHCVOXOGHVMOX-BRWVUGGUSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC)C[C@H]2OC)CC1 ZINC001082383169 757090359 /nfs/dbraw/zinc/09/03/59/757090359.db2.gz LFISCGVMCBZLKR-HZPDHXFCSA-N 2 0 307.438 0.557 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)C[C@@H]21 ZINC001084910868 758120096 /nfs/dbraw/zinc/12/00/96/758120096.db2.gz FTIGEANSFJQXOZ-OWCLPIDISA-N 2 0 307.438 0.816 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H](C)O)C2)CC1 ZINC001086277969 759944166 /nfs/dbraw/zinc/94/41/66/759944166.db2.gz BTIGVMSVTOQYQP-OFQRWUPVSA-N 2 0 307.438 0.197 20 30 DCEDRP CN(C)/C=[NH+]/c1ccc(-n2cncc2C[C@@H]([NH3+])CO)cc1C#N ZINC001169073751 760573092 /nfs/dbraw/zinc/57/30/92/760573092.db2.gz BTURRDLUVYLKRB-AYPRBGQRSA-N 2 0 312.377 0.827 20 30 DCEDRP C=C(C)CC[NH+]1CC(N2C[C@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108570252 760888266 /nfs/dbraw/zinc/88/82/66/760888266.db2.gz XUUAFVNLLUZIEC-CQSZACIVSA-N 2 0 322.453 0.306 20 30 DCEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100127514 761158970 /nfs/dbraw/zinc/15/89/70/761158970.db2.gz WDWYPQXSUMOXEP-HZPDHXFCSA-N 2 0 307.438 0.437 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001148611716 768019050 /nfs/dbraw/zinc/01/90/50/768019050.db2.gz KVGXQDNLAUWFII-UHFFFAOYSA-N 2 0 317.433 0.266 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001070475063 761263156 /nfs/dbraw/zinc/26/31/56/761263156.db2.gz BTHUGFSHBBORAX-NUEKZKHPSA-N 2 0 315.421 0.032 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001070534824 761298007 /nfs/dbraw/zinc/29/80/07/761298007.db2.gz OWILFFYNHVRPJG-IMJJTQAJSA-N 2 0 317.437 0.278 20 30 DCEDRP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001114298676 762926601 /nfs/dbraw/zinc/92/66/01/762926601.db2.gz PEMYCZNIIZPTBV-SUJAAXHWSA-N 2 0 307.438 0.576 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129422844 762935322 /nfs/dbraw/zinc/93/53/22/762935322.db2.gz MHWGCEQYCYLMSH-LSDHHAIUSA-N 2 0 322.453 0.093 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](OCC)C1CC1 ZINC001129770569 763007016 /nfs/dbraw/zinc/00/70/16/763007016.db2.gz IRVVZXIWNDKWDU-HOTGVXAUSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCOCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001100064587 763272703 /nfs/dbraw/zinc/27/27/03/763272703.db2.gz OLVVLXJPYHLATL-HUUCEWRRSA-N 2 0 313.442 0.082 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001130808517 763501175 /nfs/dbraw/zinc/50/11/75/763501175.db2.gz DVJWVQAYTCIQMT-AWEZNQCLSA-N 2 0 320.437 0.108 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC#CCOC)C1 ZINC001100383224 763535653 /nfs/dbraw/zinc/53/56/53/763535653.db2.gz QRERSSIHNHGMLZ-JCYILVPMSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131815855 764054637 /nfs/dbraw/zinc/05/46/37/764054637.db2.gz WXKIHDXJCMBIFM-UHFFFAOYSA-N 2 0 322.453 0.096 20 30 DCEDRP C=CC[NH+](CCO)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001098477853 764141611 /nfs/dbraw/zinc/14/16/11/764141611.db2.gz MDHRNMWMWIREND-HNNXBMFYSA-N 2 0 309.454 0.800 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001098478866 764376977 /nfs/dbraw/zinc/37/69/77/764376977.db2.gz HVYBERRFPXAGHS-WBVHZDCISA-N 2 0 321.465 0.493 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC001115546231 765756178 /nfs/dbraw/zinc/75/61/78/765756178.db2.gz HUDJELQEZWRWRS-CVEARBPZSA-N 2 0 319.449 0.892 20 30 DCEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135652012 766023340 /nfs/dbraw/zinc/02/33/40/766023340.db2.gz SZNCOEKHPKQMRY-GJZGRUSLSA-N 2 0 319.453 0.955 20 30 DCEDRP [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)C1 ZINC001118506510 766337588 /nfs/dbraw/zinc/33/75/88/766337588.db2.gz OOKHKEBYDRQFFX-DLBZAZTESA-N 2 0 319.449 0.734 20 30 DCEDRP C=C(Br)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171199326 766971474 /nfs/dbraw/zinc/97/14/74/766971474.db2.gz YJESAZUGOJPNBB-UHFFFAOYSA-N 2 0 322.247 0.569 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146355923 767441541 /nfs/dbraw/zinc/44/15/41/767441541.db2.gz HWQOBMHXXBHVNU-UHFFFAOYSA-N 2 0 310.442 0.115 20 30 DCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092842833 768402347 /nfs/dbraw/zinc/40/23/47/768402347.db2.gz RMCCFSFBKZEWLP-HCBPCCMXSA-N 2 0 317.433 0.167 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCF)C[C@H]2C)CC1 ZINC001093223810 768501650 /nfs/dbraw/zinc/50/16/50/768501650.db2.gz HRJXEWXUMHQCSD-GDBMZVCRSA-N 2 0 309.429 0.985 20 30 DCEDRP C#CCC[NH2+]C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001203077970 768554764 /nfs/dbraw/zinc/55/47/64/768554764.db2.gz DEVULQGOOBQWFW-UHFFFAOYSA-N 2 0 307.438 0.701 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC001141708410 768589035 /nfs/dbraw/zinc/58/90/35/768589035.db2.gz FQYBSVZPFUIZBE-UHFFFAOYSA-N 2 0 317.437 0.567 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150291172 769059301 /nfs/dbraw/zinc/05/93/01/769059301.db2.gz KOJQNAYEHUTKNM-JKSUJKDBSA-N 2 0 309.454 0.803 20 30 DCEDRP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150588630 769132765 /nfs/dbraw/zinc/13/27/65/769132765.db2.gz PZQNNGHFOKAJFX-OAHLLOKOSA-N 2 0 313.442 0.348 20 30 DCEDRP C#CCOc1ccc(CN2CCNC[C@]23CC[NH2+]C3)cc1OC ZINC001234983398 769731979 /nfs/dbraw/zinc/73/19/79/769731979.db2.gz VHZIMSRVHKPIQS-GOSISDBHSA-N 2 0 315.417 0.845 20 30 DCEDRP N#Cc1ccc(CCN2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001235871096 769956450 /nfs/dbraw/zinc/95/64/50/769956450.db2.gz SYVPWAAYCKFXAA-UHFFFAOYSA-N 2 0 301.438 0.185 20 30 DCEDRP N#Cc1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])ccc1F ZINC001236309898 769992975 /nfs/dbraw/zinc/99/29/75/769992975.db2.gz RYIIJIXOKFQJLN-UHFFFAOYSA-N 2 0 321.400 0.313 20 30 DCEDRP N#Cc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])s1 ZINC001236311485 769995013 /nfs/dbraw/zinc/99/50/13/769995013.db2.gz JHBPELZPLFATGR-UHFFFAOYSA-N 2 0 309.439 0.236 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176884748 770209702 /nfs/dbraw/zinc/20/97/02/770209702.db2.gz RLABXJCWAHGWAW-HNNXBMFYSA-N 2 0 322.453 0.096 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCCCOC)CC1 ZINC001176926196 770225665 /nfs/dbraw/zinc/22/56/65/770225665.db2.gz ITHZUBWHEUYVQA-UHFFFAOYSA-N 2 0 309.454 0.854 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001178816000 770884687 /nfs/dbraw/zinc/88/46/87/770884687.db2.gz QYFWDFAAOHVRLC-OAHLLOKOSA-N 2 0 324.469 0.342 20 30 DCEDRP COc1ccc(C#N)cc1C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151096870 771442240 /nfs/dbraw/zinc/44/22/40/771442240.db2.gz HQJCYVHJYJRNJW-UHFFFAOYSA-N 2 0 316.405 0.868 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001157899045 771689331 /nfs/dbraw/zinc/68/93/31/771689331.db2.gz IAIOEWZIKMOZNN-LSDHHAIUSA-N 2 0 322.453 0.093 20 30 DCEDRP N#Cc1c2c(cnc1-n1cc3c(n1)CC[C@H]([NH3+])C3)C[NH2+]CCC2 ZINC001157979095 771706334 /nfs/dbraw/zinc/70/63/34/771706334.db2.gz BSOOVEWRPIIXKN-ZDUSSCGKSA-N 2 0 308.389 0.991 20 30 DCEDRP C#C[C@](C)([NH3+])C(=O)N1CCc2c(CN(C)C)nn(C(C)C)c2C1 ZINC001158697790 771808585 /nfs/dbraw/zinc/80/85/85/771808585.db2.gz HHXHANWLFIKNJY-KRWDZBQOSA-N 2 0 317.437 0.761 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185385195 771909182 /nfs/dbraw/zinc/90/91/82/771909182.db2.gz LZQRAWOIGGNUKB-DZGCQCFKSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CC[C@]1(C(=O)N(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC001161445515 772224682 /nfs/dbraw/zinc/22/46/82/772224682.db2.gz PQBNMDBTAKJBTB-DOTOQJQBSA-N 3 0 306.454 0.274 20 30 DCEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001164596808 772686958 /nfs/dbraw/zinc/68/69/58/772686958.db2.gz SHJPGVRUEXFBNR-HZPDHXFCSA-N 2 0 319.449 0.749 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001190946345 772696413 /nfs/dbraw/zinc/69/64/13/772696413.db2.gz JFANVBBCCNQYEY-JKSUJKDBSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1=O ZINC001166010466 772778655 /nfs/dbraw/zinc/77/86/55/772778655.db2.gz NXRYNUPQGOEOGU-LSDHHAIUSA-N 2 0 324.469 0.455 20 30 DCEDRP C#CCC[NH2+]C1CCN(C(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC001203887433 772928661 /nfs/dbraw/zinc/92/86/61/772928661.db2.gz BSTFEEQEDBFTOH-UHFFFAOYSA-N 2 0 301.434 0.936 20 30 DCEDRP COCC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001205334208 772987772 /nfs/dbraw/zinc/98/77/72/772987772.db2.gz GEGBDYVGQCTEQS-NVXWUHKLSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[NH2+]CCO)CC2)CC1 ZINC001206948943 773145855 /nfs/dbraw/zinc/14/58/55/773145855.db2.gz KAIMTFIRTCXVDN-UHFFFAOYSA-N 2 0 307.438 0.152 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194290468 773178419 /nfs/dbraw/zinc/17/84/19/773178419.db2.gz YZUKXTSCUDVNTM-HZPDHXFCSA-N 2 0 316.405 0.093 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001208337501 773436526 /nfs/dbraw/zinc/43/65/26/773436526.db2.gz LAGYIKGYAVPSFT-CQSZACIVSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCC2CCOCC2)CC1 ZINC001152330257 773730103 /nfs/dbraw/zinc/73/01/03/773730103.db2.gz KGUFOHMWPAZILZ-UHFFFAOYSA-N 2 0 321.465 0.854 20 30 DCEDRP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199056955 774021862 /nfs/dbraw/zinc/02/18/62/774021862.db2.gz BIZWMOKREIHTBM-HZPDHXFCSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001199095795 774029108 /nfs/dbraw/zinc/02/91/08/774029108.db2.gz KWPDYHGIUMSUSN-BZUAXINKSA-N 2 0 309.454 0.988 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001216499896 774119888 /nfs/dbraw/zinc/11/98/88/774119888.db2.gz VTJOLKJZTCSOGH-ZIAGYGMSSA-N 2 0 310.442 0.067 20 30 DCEDRP COC(=O)c1cc(C#N)cc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c1 ZINC001219131610 774381569 /nfs/dbraw/zinc/38/15/69/774381569.db2.gz HBUJOMSKHJUIBA-CQSZACIVSA-N 2 0 316.361 0.610 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001201267366 774480653 /nfs/dbraw/zinc/48/06/53/774480653.db2.gz MSQAOVWBDDBTLH-OAHLLOKOSA-N 2 0 322.453 0.354 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CCCO1 ZINC001201889974 774567503 /nfs/dbraw/zinc/56/75/03/774567503.db2.gz AGPWDXNGKVZOET-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)CCCO1 ZINC001202116130 774603434 /nfs/dbraw/zinc/60/34/34/774603434.db2.gz SNYWZEBEGOTFII-CABCVRRESA-N 2 0 311.426 0.100 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCCO1 ZINC001202148269 774607153 /nfs/dbraw/zinc/60/71/53/774607153.db2.gz STMDMPKKBFYFCK-DLBZAZTESA-N 2 0 321.465 0.947 20 30 DCEDRP C=C(C)C(=O)NCCCNC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001220043632 774679333 /nfs/dbraw/zinc/67/93/33/774679333.db2.gz ZTCPCLQMFDKHFY-AWEZNQCLSA-N 2 0 312.458 0.681 20 30 DCEDRP [NH3+]CCC[C@H]([NH3+])C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O ZINC001220284823 774757788 /nfs/dbraw/zinc/75/77/88/774757788.db2.gz XFDDBZIGVQNTKE-JTQLQIEISA-N 2 0 321.764 0.698 20 30 DCEDRP COC(=O)c1ccc(C(=[NH2+])NC(O)=C(N)C2CC[NH2+]CC2)cc1 ZINC001220579116 774850805 /nfs/dbraw/zinc/85/08/05/774850805.db2.gz FBRAWEHKTPINAQ-CYBMUJFWSA-N 2 0 318.377 0.032 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[NH+]1C ZINC001114425466 774856542 /nfs/dbraw/zinc/85/65/42/774856542.db2.gz DFIHEULOTUCOPG-CBZIJGRNSA-N 2 0 319.449 0.557 20 30 DCEDRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[NH+](CC#CCOC)C[C@H]21 ZINC001114487774 774897219 /nfs/dbraw/zinc/89/72/19/774897219.db2.gz BBTOPTOUUYPZIB-FICVDOATSA-N 2 0 307.438 0.413 20 30 DCEDRP COCC#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001224546913 775581021 /nfs/dbraw/zinc/58/10/21/775581021.db2.gz SUIAULZSCSVDKX-DOTOQJQBSA-N 2 0 321.465 0.662 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001228263726 776061457 /nfs/dbraw/zinc/06/14/57/776061457.db2.gz NCDYWGYYZIQFDU-OAHLLOKOSA-N 2 0 322.453 0.352 20 30 DCEDRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#CCOC ZINC001229230633 776172044 /nfs/dbraw/zinc/17/20/44/776172044.db2.gz JYAJOFATEUPIMG-HZPDHXFCSA-N 2 0 309.454 0.995 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC001041167702 777104456 /nfs/dbraw/zinc/10/44/56/777104456.db2.gz PUPQRBKKOFTLTL-DOTOQJQBSA-N 2 0 305.422 0.265 20 30 DCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001278130986 945149265 /nfs/dbraw/zinc/14/92/65/945149265.db2.gz YNYCEVMANAWSON-DLBZAZTESA-N 2 0 315.417 0.199 20 30 DCEDRP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+]([C@H](CC)C(N)=O)CC1 ZINC001278177744 945166970 /nfs/dbraw/zinc/16/69/70/945166970.db2.gz ZLWDFFGQLARSJD-OAHLLOKOSA-N 2 0 322.453 0.128 20 30 DCEDRP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001266686315 939209297 /nfs/dbraw/zinc/20/92/97/939209297.db2.gz WYRCAAITNKYSAK-XHSDSOJGSA-N 2 0 307.438 0.768 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266701862 939215052 /nfs/dbraw/zinc/21/50/52/939215052.db2.gz HKSIVDHXAAGDLJ-UKRRQHHQSA-N 2 0 322.453 0.067 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001278349283 945235754 /nfs/dbraw/zinc/23/57/54/945235754.db2.gz DZBAQDREJLOOFR-INIZCTEOSA-N 2 0 306.454 0.180 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001266913227 939275875 /nfs/dbraw/zinc/27/58/75/939275875.db2.gz ABLIPYWBAILFDT-WLYUNCDWSA-N 2 0 322.453 0.093 20 30 DCEDRP CC#CC[N@H+](CC)CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001267252450 939403456 /nfs/dbraw/zinc/40/34/56/939403456.db2.gz OYJORPVETZZFQW-UHFFFAOYSA-N 2 0 305.426 0.520 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)[C@H](CC)C(N)=O)CC1 ZINC001267256950 939405417 /nfs/dbraw/zinc/40/54/17/939405417.db2.gz JHFSSTQXAMTVQG-OAHLLOKOSA-N 2 0 322.453 0.034 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001267295446 939417716 /nfs/dbraw/zinc/41/77/16/939417716.db2.gz WOLGHBGBLAZHCX-CQSZACIVSA-N 2 0 322.453 0.211 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001278369866 945254492 /nfs/dbraw/zinc/25/44/92/945254492.db2.gz AGJIFHQTYVNLTD-CABCVRRESA-N 2 0 317.437 0.661 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267560610 939500868 /nfs/dbraw/zinc/50/08/68/939500868.db2.gz BCZWGTMBADFMHW-HUUCEWRRSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CC[NH+]1CCN(CCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001267576527 939521780 /nfs/dbraw/zinc/52/17/80/939521780.db2.gz ZKKPRIDELROUEL-MRXNPFEDSA-N 2 0 308.470 0.590 20 30 DCEDRP C=CCC[NH+]1CCN(CCN(C)C(=O)Cc2cncn2C)CC1 ZINC001267576182 939521939 /nfs/dbraw/zinc/52/19/39/939521939.db2.gz UBHXHMHLGRPCCQ-UHFFFAOYSA-N 2 0 319.453 0.615 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001481055352 939543148 /nfs/dbraw/zinc/54/31/48/939543148.db2.gz DJTNMXCLWURHLJ-ZIAGYGMSSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001481319779 939746255 /nfs/dbraw/zinc/74/62/55/939746255.db2.gz NKTRXCRUARSBBQ-LSDHHAIUSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CCC[NH+]1CC(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001318131154 945271558 /nfs/dbraw/zinc/27/15/58/945271558.db2.gz YSNCCQFZMBXJQP-UHFFFAOYSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CCNC(=O)C[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCC1 ZINC001268042426 939878838 /nfs/dbraw/zinc/87/88/38/939878838.db2.gz QLVQPYFMIVEOAM-UHFFFAOYSA-N 2 0 322.453 0.095 20 30 DCEDRP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001481506793 939906334 /nfs/dbraw/zinc/90/63/34/939906334.db2.gz KWAPCLYTSHTVDW-JKSUJKDBSA-N 2 0 307.438 0.368 20 30 DCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001268137975 939956109 /nfs/dbraw/zinc/95/61/09/939956109.db2.gz OEUAQELAVMGUFP-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268471151 940164576 /nfs/dbraw/zinc/16/45/76/940164576.db2.gz BWQVURYUWKXPRC-CABCVRRESA-N 2 0 324.469 0.600 20 30 DCEDRP C#CCN(C(=O)CC[N@@H+](C)CCC)C1CC[NH+](CCO)CC1 ZINC001270358506 940886708 /nfs/dbraw/zinc/88/67/08/940886708.db2.gz JRIAJVBXQSGWGZ-UHFFFAOYSA-N 2 0 309.454 0.637 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC#CCOC)CC[N@@H+]1C ZINC001482289572 940902457 /nfs/dbraw/zinc/90/24/57/940902457.db2.gz UUEYNDXPCQVSGE-OWCLPIDISA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001271987671 941501504 /nfs/dbraw/zinc/50/15/04/941501504.db2.gz KENVFAQKNOJGLW-QGZVFWFLSA-N 2 0 307.438 0.601 20 30 DCEDRP C=CCC[NH2+]C[C@@H](O)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001482747159 941654287 /nfs/dbraw/zinc/65/42/87/941654287.db2.gz FHYFDGNCRWHYHV-CQSZACIVSA-N 2 0 315.377 0.524 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482991483 941761749 /nfs/dbraw/zinc/76/17/49/941761749.db2.gz RTWVPTUSXFLXRC-LAWSMPECSA-N 2 0 308.426 0.033 20 30 DCEDRP C=C(Cl)C[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@H+]1C ZINC001272195487 941791534 /nfs/dbraw/zinc/79/15/34/941791534.db2.gz FXDZGTSPIVSZCT-CYBMUJFWSA-N 2 0 303.834 0.634 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001272617572 942869897 /nfs/dbraw/zinc/86/98/97/942869897.db2.gz XIGOGTPUZBSNBU-SJORKVTESA-N 2 0 321.465 0.806 20 30 DCEDRP C=CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001484240251 943244281 /nfs/dbraw/zinc/24/42/81/943244281.db2.gz AHFKFQPYYCLMRN-RDJZCZTQSA-N 2 0 309.454 0.988 20 30 DCEDRP C=CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001484240252 943244436 /nfs/dbraw/zinc/24/44/36/943244436.db2.gz AHFKFQPYYCLMRN-WBVHZDCISA-N 2 0 309.454 0.988 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001484698615 943520556 /nfs/dbraw/zinc/52/05/56/943520556.db2.gz BFSNJZCVTAKFPL-ZDUSSCGKSA-N 2 0 301.818 0.652 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]([C@H](C)[NH2+]CC=C)C2)CC1 ZINC001485650148 944054589 /nfs/dbraw/zinc/05/45/89/944054589.db2.gz JPFSAOVPUBGRFE-DOTOQJQBSA-N 2 0 319.449 0.723 20 30 DCEDRP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001485715617 944094398 /nfs/dbraw/zinc/09/43/98/944094398.db2.gz CIRKBXOHKIKPMG-OLZOCXBDSA-N 2 0 303.834 0.944 20 30 DCEDRP CC[C@H](C(=O)N1CC2(C1)CC[NH+](CC#CCOC)CC2)[NH+](C)C ZINC001272825504 944261858 /nfs/dbraw/zinc/26/18/58/944261858.db2.gz GLQXMWSJEQJBNA-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCN1C[C@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001272887467 944302018 /nfs/dbraw/zinc/30/20/18/944302018.db2.gz FHBINLDWKCQWOQ-QGZVFWFLSA-N 2 0 307.438 0.818 20 30 DCEDRP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001277058831 944644057 /nfs/dbraw/zinc/64/40/57/944644057.db2.gz PSKBIMLODCSIHR-CTYIDZIISA-N 2 0 303.410 0.176 20 30 DCEDRP C#CC[N@@H+](CCOC)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001277398927 944806666 /nfs/dbraw/zinc/80/66/66/944806666.db2.gz VUYGVYZHRZKAML-INIZCTEOSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001317260725 944883614 /nfs/dbraw/zinc/88/36/14/944883614.db2.gz VKBWJNILVFDDKY-KBPBESRZSA-N 2 0 322.453 0.400 20 30 DCEDRP C[NH+](C)CCN1CC[N@H+](CCCC#N)C[C@]2(CCCC(=O)N2)C1 ZINC001277944988 945055865 /nfs/dbraw/zinc/05/58/65/945055865.db2.gz ILMRNYJULRXGPV-QGZVFWFLSA-N 2 0 321.469 0.508 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001277949134 945058282 /nfs/dbraw/zinc/05/82/82/945058282.db2.gz YYGCZHJNRSFSOE-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001318789892 945444427 /nfs/dbraw/zinc/44/44/27/945444427.db2.gz PCBPFRUIBRDFAD-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP CCOC(=O)C1(C#N)CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246874716 945511215 /nfs/dbraw/zinc/51/12/15/945511215.db2.gz KPIUTKNLWUUKHZ-ZDUSSCGKSA-N 2 0 306.410 0.249 20 30 DCEDRP C#CC[NH2+]C[C@]1(C)CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001278582619 945666353 /nfs/dbraw/zinc/66/63/53/945666353.db2.gz NFBHRWQFLGWJQL-SFHVURJKSA-N 2 0 301.434 0.793 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001321627897 946403874 /nfs/dbraw/zinc/40/38/74/946403874.db2.gz NPKNXPSTMISHDY-BARDWOONSA-N 2 0 324.469 0.502 20 30 DCEDRP C=CCCC[N@H+]1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001278801567 946419686 /nfs/dbraw/zinc/41/96/86/946419686.db2.gz YGCVBOSLXUAJTG-KRWDZBQOSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001278864812 946497095 /nfs/dbraw/zinc/49/70/95/946497095.db2.gz KIAHBWNWMNJCNA-OAHLLOKOSA-N 2 0 314.389 0.641 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001322004666 946546430 /nfs/dbraw/zinc/54/64/30/946546430.db2.gz VTLSVCQQTCYGAQ-UONOGXRCSA-N 2 0 324.469 0.503 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001278946084 946641519 /nfs/dbraw/zinc/64/15/19/946641519.db2.gz UISOIYDPVMJWOG-LSDHHAIUSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001323062131 946918978 /nfs/dbraw/zinc/91/89/78/946918978.db2.gz GBKJBSKRAKVBGY-JKSUJKDBSA-N 2 0 309.454 0.707 20 30 DCEDRP C=CCS(=O)(=O)N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001259928400 947026005 /nfs/dbraw/zinc/02/60/05/947026005.db2.gz BVPPSYUVPNQFPF-UHFFFAOYSA-N 2 0 301.456 0.462 20 30 DCEDRP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001325102616 947654821 /nfs/dbraw/zinc/65/48/21/947654821.db2.gz RQSTVYHVJWOOGS-HOCLYGCPSA-N 2 0 313.417 0.243 20 30 DCEDRP C=CCOCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001325450988 947799441 /nfs/dbraw/zinc/79/94/41/947799441.db2.gz TUBKQAFVRJQAAC-KBPBESRZSA-N 2 0 306.410 0.981 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001273465706 947905738 /nfs/dbraw/zinc/90/57/38/947905738.db2.gz LTVHZAWIEFBKJV-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCCC[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273542561 947949632 /nfs/dbraw/zinc/94/96/32/947949632.db2.gz XQZYHDAHAUNBLH-QGZVFWFLSA-N 2 0 307.438 0.512 20 30 DCEDRP C#CC[NH2+]CCN(CCO)C(=O)c1ccc2c[nH+]cn2c1C ZINC001326052911 948034340 /nfs/dbraw/zinc/03/43/40/948034340.db2.gz PLFSZJAUYJLLFD-UHFFFAOYSA-N 2 0 300.362 0.300 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)CCO1 ZINC001327078131 948388073 /nfs/dbraw/zinc/38/80/73/948388073.db2.gz CEJMQXMWQOXBAW-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001273909819 948674827 /nfs/dbraw/zinc/67/48/27/948674827.db2.gz BIDLJWHDGSVUMG-NVXWUHKLSA-N 2 0 309.454 0.847 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001264096757 948881911 /nfs/dbraw/zinc/88/19/11/948881911.db2.gz RCABUDCFJAJYAM-CABCVRRESA-N 2 0 322.453 0.021 20 30 DCEDRP COCC#CC[NH+]1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001265195636 949426964 /nfs/dbraw/zinc/42/69/64/949426964.db2.gz HUCPTUNVKQGXQE-UHFFFAOYSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001489077379 949466767 /nfs/dbraw/zinc/46/67/67/949466767.db2.gz CZOYRXGGQZDVBZ-UHFFFAOYSA-N 2 0 317.393 0.170 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CCC[C@H](C)O)CC1 ZINC001329621989 949723954 /nfs/dbraw/zinc/72/39/54/949723954.db2.gz ATGKSCHCRCOTAG-HOTGVXAUSA-N 2 0 323.481 0.929 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001265594665 949800084 /nfs/dbraw/zinc/80/00/84/949800084.db2.gz HMWUUMMOUHIKNY-SJORKVTESA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CCN1CC([C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001330072233 950104464 /nfs/dbraw/zinc/10/44/64/950104464.db2.gz RZWRNBMHUQUUPF-LSDHHAIUSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2 ZINC001330543657 950496651 /nfs/dbraw/zinc/49/66/51/950496651.db2.gz RZBZBXOBRRNEFG-JKSUJKDBSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001279578552 950633244 /nfs/dbraw/zinc/63/32/44/950633244.db2.gz YYSXAPRVUITJTE-YESZJQIVSA-N 2 0 319.449 0.796 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001279718055 950678232 /nfs/dbraw/zinc/67/82/32/950678232.db2.gz REAJZEYUBIFOEK-UHFFFAOYSA-N 2 0 309.454 0.685 20 30 DCEDRP C=CCC[NH+]1CCN(CCCNC(=O)C[NH+]2CCCC2)CC1 ZINC001490477174 950723893 /nfs/dbraw/zinc/72/38/93/950723893.db2.gz UIIXTWOIEYTEEV-UHFFFAOYSA-N 2 0 308.470 0.782 20 30 DCEDRP C=CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)Cn2cncc2C)C1 ZINC001490551356 950853597 /nfs/dbraw/zinc/85/35/97/950853597.db2.gz SGKQBRVPGOJNHB-KBPBESRZSA-N 2 0 319.409 0.073 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H]2CCOC2)CCC1 ZINC001280485359 950897411 /nfs/dbraw/zinc/89/74/11/950897411.db2.gz JXZFHZHBNWDGCD-CVEARBPZSA-N 2 0 319.449 0.749 20 30 DCEDRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](CCCCC#N)C2)OCC1=O ZINC001274043672 951356556 /nfs/dbraw/zinc/35/65/56/951356556.db2.gz SDLPJLPDCTZQBS-INIZCTEOSA-N 2 0 308.426 0.545 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001281184852 951358490 /nfs/dbraw/zinc/35/84/90/951358490.db2.gz OPIASTXXGYBEPY-NVXWUHKLSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CCOCC)C2)CC1 ZINC001274300585 951548275 /nfs/dbraw/zinc/54/82/75/951548275.db2.gz XRTQYSVLLIEMJH-WBVHZDCISA-N 2 0 321.465 0.805 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001281634718 951567587 /nfs/dbraw/zinc/56/75/87/951567587.db2.gz OHIJEGOJCDYVJX-HNNXBMFYSA-N 2 0 307.438 0.295 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001281768805 951620583 /nfs/dbraw/zinc/62/05/83/951620583.db2.gz WUPWGICQFXVGBH-INIZCTEOSA-N 2 0 309.454 0.997 20 30 DCEDRP C#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001332665467 951753773 /nfs/dbraw/zinc/75/37/73/951753773.db2.gz SPSVTHSDDOLMOV-HZPDHXFCSA-N 2 0 309.454 0.634 20 30 DCEDRP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001332677763 951757695 /nfs/dbraw/zinc/75/76/95/951757695.db2.gz UJOSBBHYBUTBRA-SJORKVTESA-N 2 0 323.481 0.881 20 30 DCEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C(C)(C)C ZINC001332900224 951842203 /nfs/dbraw/zinc/84/22/03/951842203.db2.gz SSAZZAQKVBYUAM-LSDHHAIUSA-N 2 0 309.454 0.708 20 30 DCEDRP C#CCC[NH2+]C1CC(N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001333130973 951928084 /nfs/dbraw/zinc/92/80/84/951928084.db2.gz QADCPKIPRPRPOA-UHFFFAOYSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H](C[NH2+]CCF)C2)CC1 ZINC001279193911 952280782 /nfs/dbraw/zinc/28/07/82/952280782.db2.gz OAUIYGFBWYQQNK-GOEBONIOSA-N 2 0 309.429 0.985 20 30 DCEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001335425628 952535082 /nfs/dbraw/zinc/53/50/82/952535082.db2.gz GASCHJPBADUIIX-HNNXBMFYSA-N 2 0 310.419 0.278 20 30 DCEDRP N#CCCCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001335511264 952548662 /nfs/dbraw/zinc/54/86/62/952548662.db2.gz XMYKWBUAPAKTGH-GASCZTMLSA-N 2 0 305.426 0.900 20 30 DCEDRP C=CC[C@@]1(C(=O)N2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)CCC[NH2+]1 ZINC001341662961 953243615 /nfs/dbraw/zinc/24/36/15/953243615.db2.gz HIFJYQUJLLCLMH-RMHZUWNSSA-N 2 0 321.421 0.424 20 30 DCEDRP C#CC[NH2+]CC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC001341889711 953256690 /nfs/dbraw/zinc/25/66/90/953256690.db2.gz TXCCIADBIAXEQA-CQSZACIVSA-N 2 0 300.406 0.946 20 30 DCEDRP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001281964028 953434871 /nfs/dbraw/zinc/43/48/71/953434871.db2.gz BKUWRHCDNTXUSW-OAHLLOKOSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001282013058 953444869 /nfs/dbraw/zinc/44/48/69/953444869.db2.gz ACTBJFBKMMSUNE-YMAMQOFZSA-N 2 0 322.453 0.257 20 30 DCEDRP C[NH+]1CCN(CC[NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC001346136581 953808950 /nfs/dbraw/zinc/80/89/50/953808950.db2.gz LKNHOJHKRFSOJW-INIZCTEOSA-N 2 0 318.421 0.135 20 30 DCEDRP CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001283763263 954589694 /nfs/dbraw/zinc/58/96/94/954589694.db2.gz HDRBTUSJUXFWTD-HOCLYGCPSA-N 2 0 307.438 0.483 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CCC(=C)C)CC1 ZINC001283832794 954643817 /nfs/dbraw/zinc/64/38/17/954643817.db2.gz XOGMPTMPBAREIV-INIZCTEOSA-N 2 0 307.438 0.365 20 30 DCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001350405250 955084885 /nfs/dbraw/zinc/08/48/85/955084885.db2.gz MQKKTLBKWPRFHE-LSDHHAIUSA-N 2 0 308.426 0.767 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[NH2+]CC=C(C)C)CC1 ZINC001284475982 955117422 /nfs/dbraw/zinc/11/74/22/955117422.db2.gz DPJQSVGAROBFTP-KRWDZBQOSA-N 2 0 321.465 0.707 20 30 DCEDRP C=CCCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001284516794 955150430 /nfs/dbraw/zinc/15/04/30/955150430.db2.gz OPNYTPPLHIOFDD-HNNXBMFYSA-N 2 0 309.454 0.800 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001284787506 955261519 /nfs/dbraw/zinc/26/15/19/955261519.db2.gz FZFASTQUTNVSDJ-UHFFFAOYSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1OCC ZINC001316687373 960028757 /nfs/dbraw/zinc/02/87/57/960028757.db2.gz DWAHLTYXDLNGRB-IXDOHACOSA-N 2 0 319.449 0.415 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1OCC ZINC001316691379 960044265 /nfs/dbraw/zinc/04/42/65/960044265.db2.gz DFLBNCUWMBEJJM-BZUAXINKSA-N 2 0 307.438 0.415 20 30 DCEDRP C=C(Br)C[NH2+]C[C@H](O)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001379214716 962384157 /nfs/dbraw/zinc/38/41/57/962384157.db2.gz GLYQIMYBJMZZMT-WDEREUQCSA-N 2 0 322.247 0.302 20 30 DCEDRP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001394652937 993972181 /nfs/dbraw/zinc/97/21/81/993972181.db2.gz MQHMHWMEOUTTHW-CVEARBPZSA-N 2 0 318.421 0.465 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001507072615 1015954796 /nfs/dbraw/zinc/95/47/96/1015954796.db2.gz VZKJOAZUMYBAGL-CABCVRRESA-N 2 0 322.453 0.045 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001502592792 1015987380 /nfs/dbraw/zinc/98/73/80/1015987380.db2.gz XGUIQOJCAQMGMA-GOSISDBHSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001507163232 1016046112 /nfs/dbraw/zinc/04/61/12/1016046112.db2.gz TWLMONQCFVPHJB-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC001467727839 1016193895 /nfs/dbraw/zinc/19/38/95/1016193895.db2.gz SHDQVKHGISGMGV-OAHLLOKOSA-N 2 0 324.469 0.363 20 30 DCEDRP CN(C[C@H](O)C[NH2+]Cc1cccc(C#N)c1)C(=O)CC[NH+](C)C ZINC001507502132 1016425802 /nfs/dbraw/zinc/42/58/02/1016425802.db2.gz GTJRLVJSFUPOMJ-MRXNPFEDSA-N 2 0 318.421 0.419 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC001471629660 1016608574 /nfs/dbraw/zinc/60/85/74/1016608574.db2.gz MAXUQRMVVFONNG-HNNXBMFYSA-N 2 0 308.426 0.058 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001441968379 1008728173 /nfs/dbraw/zinc/72/81/73/1008728173.db2.gz DNVUWNADNPMKHC-MELADBBJSA-N 2 0 317.861 0.878 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001422342638 1009914589 /nfs/dbraw/zinc/91/45/89/1009914589.db2.gz OJZIINDBQUVQID-KGLIPLIRSA-N 2 0 317.861 0.928 20 30 DCEDRP C=C(Cl)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001424422909 1012486786 /nfs/dbraw/zinc/48/67/86/1012486786.db2.gz UFPFRPIZKJNOOJ-ZFWWWQNUSA-N 2 0 315.845 0.634 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1OCC ZINC001479542468 1017580029 /nfs/dbraw/zinc/58/00/29/1017580029.db2.gz OLFGOHGIFQXSQR-OWCLPIDISA-N 2 0 309.454 0.803 20 30 DCEDRP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001506901103 1017653186 /nfs/dbraw/zinc/65/31/86/1017653186.db2.gz NRVOLVYITISHHA-SHTZXODSSA-N 2 0 307.438 0.605 20 30 DCEDRP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001494919994 1018154519 /nfs/dbraw/zinc/15/45/19/1018154519.db2.gz TVPQEVVAUHPYCA-MRXNPFEDSA-N 2 0 309.454 0.901 20 30 DCEDRP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001500169315 1018268475 /nfs/dbraw/zinc/26/84/75/1018268475.db2.gz ITXKZNAFFUMLHL-MRXNPFEDSA-N 2 0 308.470 0.731 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001495398836 1018488697 /nfs/dbraw/zinc/48/86/97/1018488697.db2.gz ZTIUZKGQELKBER-IRXDYDNUSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCOCC1 ZINC001500582344 1018500966 /nfs/dbraw/zinc/50/09/66/1018500966.db2.gz ZYCKXHTYPRBOBE-HOTGVXAUSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001495667352 1018636814 /nfs/dbraw/zinc/63/68/14/1018636814.db2.gz QJWMVXOGURQZFT-JKSUJKDBSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001480624868 1018720458 /nfs/dbraw/zinc/72/04/58/1018720458.db2.gz WFTVQQCLDRANQQ-IRXDYDNUSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001480701365 1018789410 /nfs/dbraw/zinc/78/94/10/1018789410.db2.gz KRXJLOWDOHEUJP-DLBZAZTESA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001493717492 1019659215 /nfs/dbraw/zinc/65/92/15/1019659215.db2.gz MZIZQUDYAAIXMX-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001496908833 1019751145 /nfs/dbraw/zinc/75/11/45/1019751145.db2.gz QCBJWZGYQPEDKE-WBVHZDCISA-N 2 0 321.465 0.995 20 30 DCEDRP CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000367494801 282224019 /nfs/dbraw/zinc/22/40/19/282224019.db2.gz HPQKQTLXIONAFA-OWCLPIDISA-N 2 0 322.453 0.932 20 30 DCEDRP COCCNC(=[NH2+])NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000264062281 533340090 /nfs/dbraw/zinc/34/00/90/533340090.db2.gz DBYVINIHLQMFTJ-UHFFFAOYSA-N 2 0 319.453 0.485 20 30 DCEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CCc2ccccc2C1 ZINC000088633788 395707947 /nfs/dbraw/zinc/70/79/47/395707947.db2.gz DKXKYVDWIFZEKF-QGZVFWFLSA-N 2 0 315.465 0.866 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000630942595 397141260 /nfs/dbraw/zinc/14/12/60/397141260.db2.gz LIOYFAMYOBLOCL-UHFFFAOYSA-N 2 0 305.426 0.825 20 30 DCEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC[NH3+])CC2)c1 ZINC000593710517 397430972 /nfs/dbraw/zinc/43/09/72/397430972.db2.gz ITOLIRWDQLRZSX-UHFFFAOYSA-N 2 0 301.394 0.781 20 30 DCEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594441058 397551147 /nfs/dbraw/zinc/55/11/47/397551147.db2.gz LWCXIOUIEAPXJW-CABCVRRESA-N 2 0 310.442 0.871 20 30 DCEDRP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCN(c2ncccn2)CC1 ZINC000114067120 415720869 /nfs/dbraw/zinc/72/08/69/415720869.db2.gz LXUFEJSLGUURPY-AWEZNQCLSA-N 2 0 317.441 0.268 20 30 DCEDRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCc1nccn1C ZINC000329114327 416151110 /nfs/dbraw/zinc/15/11/10/416151110.db2.gz LZDNMUZMBIZQKB-UHFFFAOYSA-N 2 0 322.457 0.792 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](Oc2ccncc2)C1 ZINC000347228929 416214808 /nfs/dbraw/zinc/21/48/08/416214808.db2.gz ZNWJXWFYBJSFFJ-TZMCWYRMSA-N 2 0 318.377 0.935 20 30 DCEDRP COCCNC(=[NH2+])NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190528336 416279922 /nfs/dbraw/zinc/27/99/22/416279922.db2.gz IKXNBLMMLACLOY-INIZCTEOSA-N 2 0 320.437 0.828 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=[NH2+])NCCNC(=O)OC(C)(C)C ZINC000491453108 416599449 /nfs/dbraw/zinc/59/94/49/416599449.db2.gz PHEQCQHHSRUDLF-UHFFFAOYSA-N 2 0 311.430 0.580 20 30 DCEDRP C#CC[NH+](C)CCCNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000491741463 416621229 /nfs/dbraw/zinc/62/12/29/416621229.db2.gz IMNINTKMVJVBJA-LSDHHAIUSA-N 2 0 310.442 0.038 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000491802317 416630418 /nfs/dbraw/zinc/63/04/18/416630418.db2.gz GCODBYOEJWMBNC-HOTGVXAUSA-N 2 0 321.465 0.493 20 30 DCEDRP C=CC[C@]1(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)CCC[NH2+]1 ZINC000662815436 417914598 /nfs/dbraw/zinc/91/45/98/417914598.db2.gz UFLPGNYBDMYDRR-GOEBONIOSA-N 2 0 318.425 0.599 20 30 DCEDRP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000331009449 334830452 /nfs/dbraw/zinc/83/04/52/334830452.db2.gz UVZFAHUAZLFVOM-ZDUSSCGKSA-N 2 0 300.447 0.629 20 30 DCEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000329819535 336085713 /nfs/dbraw/zinc/08/57/13/336085713.db2.gz XVDXJXFLYFIHKG-SNPRPXQTSA-N 2 0 309.458 0.219 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420338506 337499518 /nfs/dbraw/zinc/49/95/18/337499518.db2.gz ROZJEQFIKMXOKZ-YUTCNCBUSA-N 2 0 324.425 0.215 20 30 DCEDRP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1=O ZINC000366851485 526482540 /nfs/dbraw/zinc/48/25/40/526482540.db2.gz NKHFALHADOBSDX-DLBZAZTESA-N 2 0 320.481 0.874 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000362080183 526599047 /nfs/dbraw/zinc/59/90/47/526599047.db2.gz RDAGRVYUHGXGRW-MRXNPFEDSA-N 2 0 306.454 0.533 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000171306744 527025062 /nfs/dbraw/zinc/02/50/62/527025062.db2.gz HRZRXYNHTMSUKQ-JYJNAYRXSA-N 2 0 321.465 0.946 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1[nH]nc(N)c1C#N ZINC000267469431 529071586 /nfs/dbraw/zinc/07/15/86/529071586.db2.gz XGTDXDBETGWDII-LLVKDONJSA-N 2 0 318.429 0.185 20 30 DCEDRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000329433954 546049254 /nfs/dbraw/zinc/04/92/54/546049254.db2.gz JCDMHQOQLCTVGV-DZGCQCFKSA-N 2 0 309.458 0.220 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(CC)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000668835855 546857396 /nfs/dbraw/zinc/85/73/96/546857396.db2.gz KZURMNMHYDQBRR-OAHLLOKOSA-N 2 0 322.453 0.306 20 30 DCEDRP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC000978634878 660577210 /nfs/dbraw/zinc/57/72/10/660577210.db2.gz IAOMPYZZMKGUFJ-LVQVYYBASA-N 2 0 305.422 0.023 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC#CC)C[C@H]32)CC1 ZINC000979093258 660660254 /nfs/dbraw/zinc/66/02/54/660660254.db2.gz UVDODTHAVQXODY-NNZMDNLPSA-N 2 0 313.445 0.649 20 30 DCEDRP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001028094273 661154139 /nfs/dbraw/zinc/15/41/39/661154139.db2.gz WJWKACRCKRMIDD-CVEARBPZSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[N@H+]1CCCC2(CN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC000982091330 661290236 /nfs/dbraw/zinc/29/02/36/661290236.db2.gz RPBAYKOAXJNNIB-UHFFFAOYSA-N 2 0 319.449 0.655 20 30 DCEDRP C=CCN1CCO[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000972535189 657646910 /nfs/dbraw/zinc/64/69/10/657646910.db2.gz RUMTYIDJNOJFHH-KRWDZBQOSA-N 2 0 307.438 0.818 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000891920836 657917937 /nfs/dbraw/zinc/91/79/37/657917937.db2.gz DTEJJFULIDTMDB-RYUDHWBXSA-N 2 0 320.359 0.720 20 30 DCEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001027498913 659629010 /nfs/dbraw/zinc/62/90/10/659629010.db2.gz QIMYGYNQSWIXFF-BNQMIIOLSA-N 2 0 319.449 0.958 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000896568547 662293323 /nfs/dbraw/zinc/29/33/23/662293323.db2.gz NYDYFWQRZXDCIX-GDBMZVCRSA-N 2 0 306.454 0.082 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000988853898 662868116 /nfs/dbraw/zinc/86/81/16/662868116.db2.gz HTILOIHPJLBBOZ-KBPBESRZSA-N 2 0 303.410 0.271 20 30 DCEDRP C=CCN1CC[C@H](N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1=O ZINC000903506526 663458060 /nfs/dbraw/zinc/45/80/60/663458060.db2.gz AJTKOJBBUCLMBJ-BBWFWOEESA-N 2 0 318.465 0.674 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000908377087 663752839 /nfs/dbraw/zinc/75/28/39/663752839.db2.gz DNBIAAHMPWBHCX-UHFFFAOYSA-N 2 0 324.469 0.603 20 30 DCEDRP C#CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991358274 664122075 /nfs/dbraw/zinc/12/20/75/664122075.db2.gz IODPUFQXLRFLQK-AIANPOQGSA-N 2 0 305.422 0.452 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000921434261 665304087 /nfs/dbraw/zinc/30/40/87/665304087.db2.gz FKQPKMATPALBKU-CJNGLKHVSA-N 2 0 304.438 0.866 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C[C@@H](C)OC)C2)CC1 ZINC001033688977 666796851 /nfs/dbraw/zinc/79/68/51/666796851.db2.gz WBMCXEKDBWPKNR-NVXWUHKLSA-N 2 0 321.465 0.899 20 30 DCEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1(C)C ZINC000996623616 666836912 /nfs/dbraw/zinc/83/69/12/666836912.db2.gz NWFBDCUHPMEUQT-GJZGRUSLSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CCCO)C2)CC1 ZINC001034538506 667065013 /nfs/dbraw/zinc/06/50/13/667065013.db2.gz NTXYVLKLUQIODJ-QGZVFWFLSA-N 2 0 321.465 0.685 20 30 DCEDRP CCO[C@@H](CC[NH+](C)C)CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884229935 667505799 /nfs/dbraw/zinc/50/57/99/667505799.db2.gz FLDRTIZVPBCIMC-DGNOSDGRSA-N 2 0 322.453 0.599 20 30 DCEDRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C1CC3(C1)C[NH2+]C[C@H]3C#N)C2 ZINC000884442288 667546103 /nfs/dbraw/zinc/54/61/03/667546103.db2.gz AYNFAXBPVYBAOV-OEKQDRQZSA-N 2 0 302.422 0.584 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000876802120 668513748 /nfs/dbraw/zinc/51/37/48/668513748.db2.gz LTOHCWTZEANYPE-JLLWLGSASA-N 2 0 312.295 0.933 20 30 DCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000876806730 668514537 /nfs/dbraw/zinc/51/45/37/668514537.db2.gz RRVWUTCBNVRUTM-FUHWJXTLSA-N 2 0 310.401 0.957 20 30 DCEDRP C[NH+](C)CC1(O)CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000931483287 669211233 /nfs/dbraw/zinc/21/12/33/669211233.db2.gz FWVMMHRNTAIRDP-MRXNPFEDSA-N 2 0 303.406 0.980 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2 ZINC000949098856 670258739 /nfs/dbraw/zinc/25/87/39/670258739.db2.gz HZWAZFAQFIYFPZ-HZPDHXFCSA-N 2 0 319.449 0.653 20 30 DCEDRP C#CCNC(=O)CC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000815077892 670714932 /nfs/dbraw/zinc/71/49/32/670714932.db2.gz HXVVRKZBCKGWSP-UHFFFAOYSA-N 2 0 320.481 0.616 20 30 DCEDRP CC(C)OCC[NH+]1CCC(NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852872426 671181575 /nfs/dbraw/zinc/18/15/75/671181575.db2.gz MBLHKWSKVJUZSB-UHFFFAOYSA-N 2 0 321.465 0.995 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000852897203 671189952 /nfs/dbraw/zinc/18/99/52/671189952.db2.gz NLKXRIRDWJEHKR-KRWDZBQOSA-N 2 0 319.449 0.703 20 30 DCEDRP CC[C@H](CNC(NCCN1CCOCC1)=[NH+]C)[NH+]1CCCC1 ZINC000303895799 685208691 /nfs/dbraw/zinc/20/86/91/685208691.db2.gz PPWRSAKIXVFFLQ-OAHLLOKOSA-N 2 0 311.474 0.358 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](C(C)C)C[C@H]2O)CC1 ZINC000958722878 687875821 /nfs/dbraw/zinc/87/58/21/687875821.db2.gz ARMGPMYGEYUSMZ-HZPDHXFCSA-N 2 0 307.438 0.149 20 30 DCEDRP C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000958729256 687882600 /nfs/dbraw/zinc/88/26/00/687882600.db2.gz TUKUTQDVDMGNMG-WBVHZDCISA-N 2 0 315.417 0.404 20 30 DCEDRP C=CC[N@H+]1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[C@H](O)C1 ZINC000958729878 687882752 /nfs/dbraw/zinc/88/27/52/687882752.db2.gz YZLJVMGIMVKFFU-NVXWUHKLSA-N 2 0 317.433 0.957 20 30 DCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC000960977385 688495007 /nfs/dbraw/zinc/49/50/07/688495007.db2.gz CUEGIVQHXJFIFN-FOLVSLTJSA-N 2 0 307.357 0.561 20 30 DCEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961284248 688587667 /nfs/dbraw/zinc/58/76/67/688587667.db2.gz RULDUEZWCPVUSO-GTHOZQOVSA-N 2 0 317.433 0.472 20 30 DCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000961342324 688597702 /nfs/dbraw/zinc/59/77/02/688597702.db2.gz LZEFJWFGSLQTHW-LTIDMASMSA-N 2 0 301.434 0.931 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CCO)CC[C@H]2C)CC1 ZINC000968682779 690365305 /nfs/dbraw/zinc/36/53/05/690365305.db2.gz UJUMHRQRBWSGRZ-ZBFHGGJFSA-N 2 0 307.438 0.151 20 30 DCEDRP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001073614071 694752279 /nfs/dbraw/zinc/75/22/79/694752279.db2.gz RKAAHNYLPDETFA-IXDOHACOSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001020166289 693719383 /nfs/dbraw/zinc/71/93/83/693719383.db2.gz XGOUNUKOJWSTPQ-VQHPVUNQSA-N 2 0 319.449 0.603 20 30 DCEDRP C#CC[N@H+]1CCC2(CN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001073087088 694703795 /nfs/dbraw/zinc/70/37/95/694703795.db2.gz IDXAWQLLRCDRRQ-UHFFFAOYSA-N 2 0 305.422 0.265 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](C[C@@H](C)O)C3)CC1 ZINC001073457344 694729087 /nfs/dbraw/zinc/72/90/87/694729087.db2.gz LUUIGKIVEMMULK-OAHLLOKOSA-N 2 0 319.449 0.247 20 30 DCEDRP COCC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001571487615 1162779296 /nfs/dbraw/zinc/77/92/96/1162779296.db2.gz UUUJYYHNAHZWEY-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001670474629 1157447688 /nfs/dbraw/zinc/44/76/88/1157447688.db2.gz HWRJTEDORMTMIE-BPLDGKMQSA-N 2 0 322.453 0.113 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001691170444 1157604691 /nfs/dbraw/zinc/60/46/91/1157604691.db2.gz BSQWKZOKYWJHHH-HOTGVXAUSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001691385796 1157658730 /nfs/dbraw/zinc/65/87/30/1157658730.db2.gz BFDSDNVKJWYHTP-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001691424302 1157671058 /nfs/dbraw/zinc/67/10/58/1157671058.db2.gz IBDDVNYJEHRHPP-GFCCVEGCSA-N 2 0 319.409 0.416 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCO1 ZINC001755017701 1157908289 /nfs/dbraw/zinc/90/82/89/1157908289.db2.gz NTZIEKYLNILGDF-JKSUJKDBSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001755593001 1158186564 /nfs/dbraw/zinc/18/65/64/1158186564.db2.gz PJPJDIRUDNPAPB-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N(C)CCOCC[N@@H+](C)C(C)C ZINC001691597845 1158350740 /nfs/dbraw/zinc/35/07/40/1158350740.db2.gz AXELIKHFNZQJEY-INIZCTEOSA-N 2 0 309.454 0.899 20 30 DCEDRP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001263931883 1159145811 /nfs/dbraw/zinc/14/58/11/1159145811.db2.gz MXCVVFGFVJFIIB-YESZJQIVSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001566649719 1160111048 /nfs/dbraw/zinc/11/10/48/1160111048.db2.gz FZOTWHXYZGRFTC-QGZVFWFLSA-N 2 0 320.481 0.618 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001566860391 1160170627 /nfs/dbraw/zinc/17/06/27/1160170627.db2.gz YADJUPOYTRPPDA-TUVASFSCSA-N 2 0 322.453 0.256 20 30 DCEDRP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC#CCOC)C1)[NH+](C)C ZINC001566877909 1160174693 /nfs/dbraw/zinc/17/46/93/1160174693.db2.gz IPKRTQZYUDNJAO-CVEARBPZSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCNC(=O)C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001567646740 1160447754 /nfs/dbraw/zinc/44/77/54/1160447754.db2.gz NSQMQZXOWUMIGC-OAHLLOKOSA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[NH2+]CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001568092463 1160575621 /nfs/dbraw/zinc/57/56/21/1160575621.db2.gz VGOKWJQQXBTSHA-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001568274178 1160618051 /nfs/dbraw/zinc/61/80/51/1160618051.db2.gz SMJLMTSNNQEDAH-ZFWWWQNUSA-N 2 0 322.453 0.067 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001568362574 1160635696 /nfs/dbraw/zinc/63/56/96/1160635696.db2.gz IHOOGCLJSXMDOO-CVEARBPZSA-N 2 0 309.454 0.805 20 30 DCEDRP CCN(CC[NH2+]CC#CCOC)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001568800654 1160778085 /nfs/dbraw/zinc/77/80/85/1160778085.db2.gz NPQMNBBSIJKOMG-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001569560947 1161149153 /nfs/dbraw/zinc/14/91/53/1161149153.db2.gz LLJNOYLQBACCQW-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCOCC[N@H+]1C[C@H]2CN(C(=O)CCc3c[nH]cn3)C[C@H]2C1 ZINC001569877508 1161290241 /nfs/dbraw/zinc/29/02/41/1161290241.db2.gz PFJKJCAZJLMZDZ-GASCZTMLSA-N 2 0 318.421 0.935 20 30 DCEDRP C=C(Cl)C[NH2+]CCN(CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001569933240 1161329727 /nfs/dbraw/zinc/32/97/27/1161329727.db2.gz SYGHWJYDGIOSJU-AWEZNQCLSA-N 2 0 315.845 0.491 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001570285175 1161542864 /nfs/dbraw/zinc/54/28/64/1161542864.db2.gz AKJQFEQLOZZDGX-AEFFLSMTSA-N 2 0 321.465 0.827 20 30 DCEDRP C=C(C)CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001570294556 1161551174 /nfs/dbraw/zinc/55/11/74/1161551174.db2.gz WOXSOPBRMGXWLS-RDJZCZTQSA-N 2 0 309.454 0.847 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC001574850419 1163772276 /nfs/dbraw/zinc/77/22/76/1163772276.db2.gz XZLSZVXNMRPPQB-UHFFFAOYSA-N 2 0 300.366 0.987 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC001574851218 1163772562 /nfs/dbraw/zinc/77/25/62/1163772562.db2.gz BPIJNFYUSQMGQF-GFCCVEGCSA-N 2 0 303.834 0.808 20 30 DCEDRP C[C@@H](O)[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001579416627 1165302218 /nfs/dbraw/zinc/30/22/18/1165302218.db2.gz JUWYFRZIIAAREN-WBMJQRKESA-N 2 0 316.405 0.347 20 30 DCEDRP CC[NH+]1CCN(CC(C)(C)NC(=O)NCC#CC[NH+](C)C)CC1 ZINC001639134504 1171823520 /nfs/dbraw/zinc/82/35/20/1171823520.db2.gz QKCBMDWAIATZLY-UHFFFAOYSA-N 2 0 323.485 0.267 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001656412204 1173859858 /nfs/dbraw/zinc/85/98/58/1173859858.db2.gz QQUBGGNMCAHIAA-JKSUJKDBSA-N 2 0 319.453 0.832 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]C[C@H]2CCOC2)CC1 ZINC001663014274 1174257135 /nfs/dbraw/zinc/25/71/35/1174257135.db2.gz QFTNUGCZAYNXSY-HZPDHXFCSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@H](F)C[NH+](CC)CC)CCOCC1 ZINC001671934656 1175046043 /nfs/dbraw/zinc/04/60/43/1175046043.db2.gz CNILQYPOAYMAEY-CQSZACIVSA-N 2 0 313.417 0.555 20 30 DCEDRP C[NH+]1CCC(CC(=O)NCC[NH+]2CCC(NCC#N)CC2)CC1 ZINC001672464253 1175110378 /nfs/dbraw/zinc/11/03/78/1175110378.db2.gz OBJZGGDNELQMOP-UHFFFAOYSA-N 2 0 321.469 0.412 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001672538512 1175123163 /nfs/dbraw/zinc/12/31/63/1175123163.db2.gz RRVQSIBBOMAUPI-IRXDYDNUSA-N 2 0 319.449 0.797 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CCC1 ZINC001673238046 1175179652 /nfs/dbraw/zinc/17/96/52/1175179652.db2.gz KPHMTQJSXMTIHO-OAHLLOKOSA-N 2 0 307.438 0.607 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001674771907 1175298672 /nfs/dbraw/zinc/29/86/72/1175298672.db2.gz CLOWMXCENTWWOA-LSDHHAIUSA-N 2 0 322.453 0.095 20 30 DCEDRP CCCC[C@H](C[NH2+]CC#CCOC)NC(=O)C12CC[NH+](CC1)C2 ZINC001675233593 1175336521 /nfs/dbraw/zinc/33/65/21/1175336521.db2.gz BHRHBWBNIHELBI-MRXNPFEDSA-N 2 0 321.465 0.997 20 30 DCEDRP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001676584410 1175464412 /nfs/dbraw/zinc/46/44/12/1175464412.db2.gz WOWWXGMTOJNNFS-CJNGLKHVSA-N 2 0 315.433 0.842 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC001676929890 1175504717 /nfs/dbraw/zinc/50/47/17/1175504717.db2.gz FWEFPRVMSTVNGT-UHFFFAOYSA-N 2 0 322.453 0.448 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001677018974 1175513350 /nfs/dbraw/zinc/51/33/50/1175513350.db2.gz NOLHKXMLSYCMBN-AWEZNQCLSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001677115913 1175530080 /nfs/dbraw/zinc/53/00/80/1175530080.db2.gz ATXVMVMXWAYLED-XJKSGUPXSA-N 2 0 315.433 0.794 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001691757272 1175654902 /nfs/dbraw/zinc/65/49/02/1175654902.db2.gz DMCVRXRBSHWUSY-IXDOHACOSA-N 2 0 321.465 0.995 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001690074644 1177162529 /nfs/dbraw/zinc/16/25/29/1177162529.db2.gz MNZHNWUYYZSWBE-UHFFFAOYSA-N 2 0 320.481 0.925 20 30 DCEDRP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[N@H+]2CC[C@H](C)C2)n1 ZINC001691910599 1177381819 /nfs/dbraw/zinc/38/18/19/1177381819.db2.gz KCHXRNFDAIBELQ-LBPRGKRZSA-N 2 0 319.409 0.416 20 30 DCEDRP CCN(CC[NH2+]CC#CCOC)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001699219680 1177952024 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305.422 0.361 20 30 DCEDRP C#CC[N@@H+](C)CCOCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001700706403 1178718179 /nfs/dbraw/zinc/71/81/79/1178718179.db2.gz SGKVDJGMCMWJHL-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001700788781 1178745036 /nfs/dbraw/zinc/74/50/36/1178745036.db2.gz APGYBXFVFSPDFI-GJZGRUSLSA-N 2 0 307.438 0.341 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[NH2+]CC2CCC2)CC1 ZINC001700982029 1178857873 /nfs/dbraw/zinc/85/78/73/1178857873.db2.gz WYTKUOCKUNAIID-QGZVFWFLSA-N 2 0 321.465 0.541 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001713160065 1180703106 /nfs/dbraw/zinc/70/31/06/1180703106.db2.gz USAPJHKVLZEYNH-KKUMJFAQSA-N 2 0 322.453 0.400 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001713239432 1180732666 /nfs/dbraw/zinc/73/26/66/1180732666.db2.gz VYOIENDFVBZKOY-MRXNPFEDSA-N 2 0 309.454 0.806 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C 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QHPWEQASENQTFS-OAHLLOKOSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CC[C@@H]2CCOC2)CC1 ZINC001714572060 1181421778 /nfs/dbraw/zinc/42/17/78/1181421778.db2.gz IKUBXFGQKVHDRN-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CC#CCOC)C2)CC[N@@H+]1C ZINC001714637391 1181456024 /nfs/dbraw/zinc/45/60/24/1181456024.db2.gz WVQFQHBBMFUWBY-YESZJQIVSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001714648804 1181460390 /nfs/dbraw/zinc/46/03/90/1181460390.db2.gz URYFBGYGHCUVAO-OAHLLOKOSA-N 2 0 307.438 0.416 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001714892390 1181590628 /nfs/dbraw/zinc/59/06/28/1181590628.db2.gz XVPWAZONBGAJQK-INIZCTEOSA-N 2 0 308.470 0.590 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001715008964 1181645398 /nfs/dbraw/zinc/64/53/98/1181645398.db2.gz GDYGXXOWRKZAMV-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001715124712 1181696294 /nfs/dbraw/zinc/69/62/94/1181696294.db2.gz NFBXCTXXHHMRDE-GUYCJALGSA-N 2 0 322.453 0.115 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCCC1CC[NH+](C[C@H](C)O)CC1 ZINC001715201575 1181714492 /nfs/dbraw/zinc/71/44/92/1181714492.db2.gz HIJUOZQPOHIDCZ-RDJZCZTQSA-N 2 0 321.465 0.683 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001715644846 1181919422 /nfs/dbraw/zinc/91/94/22/1181919422.db2.gz GVAYJJGBRAMYOE-ZFWWWQNUSA-N 2 0 322.453 0.115 20 30 DCEDRP COCC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001715832798 1182038054 /nfs/dbraw/zinc/03/80/54/1182038054.db2.gz JYJIWJBSYLLIFC-RYTMFUSVSA-N 2 0 319.449 0.915 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC[C@H]2CCOC2)CC1 ZINC001716010069 1182143499 /nfs/dbraw/zinc/14/34/99/1182143499.db2.gz WCQWAEIVHBCESJ-HOTGVXAUSA-N 2 0 321.465 0.853 20 30 DCEDRP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001716920097 1182574603 /nfs/dbraw/zinc/57/46/03/1182574603.db2.gz NYCUSIUNIHILHY-GDBMZVCRSA-N 2 0 313.417 0.243 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001717337490 1182790517 /nfs/dbraw/zinc/79/05/17/1182790517.db2.gz LCQBPAKUKPRBKN-ZIAGYGMSSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)C[C@H](C)OC)CC1 ZINC001717500062 1182866718 /nfs/dbraw/zinc/86/67/18/1182866718.db2.gz OPXXEQVJZVWJSF-GJZGRUSLSA-N 2 0 309.454 0.803 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]C[C@H]2CCOC2)CC1 ZINC001717755916 1182979751 /nfs/dbraw/zinc/97/97/51/1182979751.db2.gz AHNKOPPJONBHEV-JKSUJKDBSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[NH2+]CC2CC2)CC1 ZINC001717933585 1183072116 /nfs/dbraw/zinc/07/21/16/1183072116.db2.gz SXLBIGXHNSFWNC-MRXNPFEDSA-N 2 0 307.438 0.151 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001753000938 1184242007 /nfs/dbraw/zinc/24/20/07/1184242007.db2.gz WNNKKYAJWPGMPM-INIZCTEOSA-N 2 0 307.438 0.655 20 30 DCEDRP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001724223184 1184403208 /nfs/dbraw/zinc/40/32/08/1184403208.db2.gz ORUDNEVFNPIIQZ-GOSISDBHSA-N 2 0 321.465 0.949 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CC#CCOC)C1 ZINC001724258885 1184405723 /nfs/dbraw/zinc/40/57/23/1184405723.db2.gz JZIFBUUIZHLAOE-QGZVFWFLSA-N 2 0 309.454 0.806 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001724534900 1184459988 /nfs/dbraw/zinc/45/99/88/1184459988.db2.gz VRNFGAIWLOGOOZ-HZPDHXFCSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](CC#C)CC2)C[C@H]1C ZINC001724610976 1184472946 /nfs/dbraw/zinc/47/29/46/1184472946.db2.gz XACMEUVECLTKOP-WBVHZDCISA-N 2 0 301.434 0.649 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCC1 ZINC001724797086 1184559643 /nfs/dbraw/zinc/55/96/43/1184559643.db2.gz LUHWYUXFBKXQOR-UHFFFAOYSA-N 2 0 321.465 0.997 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001725716630 1184966966 /nfs/dbraw/zinc/96/69/66/1184966966.db2.gz NMIKDPINFVCPPP-GJZGRUSLSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCOC ZINC001725758458 1184984891 /nfs/dbraw/zinc/98/48/91/1184984891.db2.gz VZPCWLZGWGCQSW-INIZCTEOSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001731702081 1185449940 /nfs/dbraw/zinc/44/99/40/1185449940.db2.gz KFAZQUMGPQXIBB-CABCVRRESA-N 2 0 322.453 0.093 20 30 DCEDRP CC[N@@H+](CC#CCOC)CCNC(=O)C[C@@H](C)n1ccnc1 ZINC001731813692 1185499833 /nfs/dbraw/zinc/49/98/33/1185499833.db2.gz VGSUIQYYOCZNBF-OAHLLOKOSA-N 2 0 306.410 0.922 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001732966355 1186083894 /nfs/dbraw/zinc/08/38/94/1186083894.db2.gz DDDAKZIWBLEFEL-CYBMUJFWSA-N 2 0 310.442 0.257 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001733172581 1186169378 /nfs/dbraw/zinc/16/93/78/1186169378.db2.gz HCVUWKZMUMIJTI-SJORKVTESA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCOCC=C)CC1 ZINC001733237887 1186197468 /nfs/dbraw/zinc/19/74/68/1186197468.db2.gz QBJLLYGYHYCGJK-KRWDZBQOSA-N 2 0 319.449 0.725 20 30 DCEDRP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001733492000 1186300050 /nfs/dbraw/zinc/30/00/50/1186300050.db2.gz JMOUICDPTZGZEE-QGZVFWFLSA-N 2 0 307.438 0.439 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001733983718 1186515290 /nfs/dbraw/zinc/51/52/90/1186515290.db2.gz KLWIZSJLYAVQEU-LSDHHAIUSA-N 2 0 307.438 0.747 20 30 DCEDRP CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001734178351 1186570848 /nfs/dbraw/zinc/57/08/48/1186570848.db2.gz DESLCOMYIJIMOW-IAGOWNOFSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001734417147 1186647510 /nfs/dbraw/zinc/64/75/10/1186647510.db2.gz POGWEXDMLCYDSE-ZIAGYGMSSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001734424898 1186650199 /nfs/dbraw/zinc/65/01/99/1186650199.db2.gz LUULYTIXZBOYNK-GOEBONIOSA-N 2 0 317.437 0.661 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]C[C@H](C)OC)C2)CC1 ZINC001734603679 1186700215 /nfs/dbraw/zinc/70/02/15/1186700215.db2.gz BEBHESHCMKFWAH-OOHWJJMZSA-N 2 0 321.465 0.946 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001752775618 1188438802 /nfs/dbraw/zinc/43/88/02/1188438802.db2.gz PXUZHLZASPFOEO-BBWFWOEESA-N 2 0 321.465 0.993 20 30 DCEDRP COCC#CC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001752850578 1188450705 /nfs/dbraw/zinc/45/07/05/1188450705.db2.gz VOKOAPRWEJBTPC-RDHHWEPZSA-N 2 0 321.465 0.993 20 30 DCEDRP C=CCN1CC[C@@H]([N@H+](CC)CCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001753095150 1188496576 /nfs/dbraw/zinc/49/65/76/1188496576.db2.gz YOLCGFWOFKTOAF-HUUCEWRRSA-N 2 0 322.453 0.163 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCN(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001753344613 1188570167 /nfs/dbraw/zinc/57/01/67/1188570167.db2.gz LXOFFKQRYYKYEK-UHFFFAOYSA-N 2 0 320.481 0.734 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001753515373 1188613296 /nfs/dbraw/zinc/61/32/96/1188613296.db2.gz YYDIWEDSJDKSGQ-RHSMWYFYSA-N 2 0 322.453 0.257 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001753767896 1188653018 /nfs/dbraw/zinc/65/30/18/1188653018.db2.gz PVLBENFRPSTBLL-CABCVRRESA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCC[NH+]1CCC[C@@](CO)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001754857160 1188951228 /nfs/dbraw/zinc/95/12/28/1188951228.db2.gz AOBPFLCCGNRPBB-DOTOQJQBSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001755027752 1189001229 /nfs/dbraw/zinc/00/12/29/1189001229.db2.gz GOLWACNHOKUYHE-HNNXBMFYSA-N 2 0 322.453 0.048 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001755045283 1189004781 /nfs/dbraw/zinc/00/47/81/1189004781.db2.gz PJAAWTSPRWKWPD-LSDHHAIUSA-N 2 0 324.469 0.409 20 30 DCEDRP COCC#CC[N@H+](C)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001755305324 1189073817 /nfs/dbraw/zinc/07/38/17/1189073817.db2.gz NIACWCLRRIFHIW-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001755478343 1189123218 /nfs/dbraw/zinc/12/32/18/1189123218.db2.gz YMWXJCDJUGWPJM-KKUMJFAQSA-N 2 0 322.453 0.209 20 30 DCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001124836241 751720538 /nfs/dbraw/zinc/72/05/38/751720538.db2.gz DRKXPXLYHROGTC-MRXNPFEDSA-N 2 0 303.381 0.977 20 30 DCEDRP C#CCC[NH+](CCO)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001098524931 746962000 /nfs/dbraw/zinc/96/20/00/746962000.db2.gz VMZPNHDKHWVBDS-UHFFFAOYSA-N 2 0 309.454 0.637 20 30 DCEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](CC)[NH+](C)C)C2)nn1 ZINC001105268613 748093309 /nfs/dbraw/zinc/09/33/09/748093309.db2.gz VXPQPSUEFNMFRJ-OAHLLOKOSA-N 2 0 318.425 0.115 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C(F)(F)F ZINC001112154364 748875182 /nfs/dbraw/zinc/87/51/82/748875182.db2.gz IFEZOVSGXKLHNH-VXGBXAGGSA-N 2 0 317.355 0.940 20 30 DCEDRP C#CCN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@H]1C ZINC001088619740 749804182 /nfs/dbraw/zinc/80/41/82/749804182.db2.gz ZELRPNKIASJHKH-HYVNUMGLSA-N 2 0 319.449 0.842 20 30 DCEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465779 749925130 /nfs/dbraw/zinc/92/51/30/749925130.db2.gz RQQDLOKCLYNMST-XHSDSOJGSA-N 2 0 307.438 0.456 20 30 DCEDRP C#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC2(CCOCC2)C1 ZINC001099594449 752576808 /nfs/dbraw/zinc/57/68/08/752576808.db2.gz DAXFRTULPWTOSV-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CN(C)CCO1)C2 ZINC001045925804 753372186 /nfs/dbraw/zinc/37/21/86/753372186.db2.gz UWROTZNWDQNHCF-FUHWJXTLSA-N 2 0 319.449 0.655 20 30 DCEDRP C=CC[N@H+]1CC[C@@](C)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001046696878 753880984 /nfs/dbraw/zinc/88/09/84/753880984.db2.gz XBQJPOLQWCOERT-MRXNPFEDSA-N 2 0 305.426 0.825 20 30 DCEDRP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001047401553 754248316 /nfs/dbraw/zinc/24/83/16/754248316.db2.gz WTQDUJXPAJGIQV-JYJNAYRXSA-N 2 0 307.438 0.388 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+](CCC)C[C@@H]2O)CC1 ZINC001047638261 754452928 /nfs/dbraw/zinc/45/29/28/754452928.db2.gz JTUVGGIKMQNRKG-HOTGVXAUSA-N 2 0 307.438 0.245 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCCF)C[C@@H]2C1 ZINC001048868742 754987103 /nfs/dbraw/zinc/98/71/03/754987103.db2.gz LWQUUDRIQXIJIL-XHSDSOJGSA-N 2 0 307.413 0.834 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN(C)CCO1 ZINC001049391856 755247847 /nfs/dbraw/zinc/24/78/47/755247847.db2.gz RRQJGNISQOHMPP-XHSDSOJGSA-N 2 0 305.422 0.406 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001090355490 755666097 /nfs/dbraw/zinc/66/60/97/755666097.db2.gz PVBGNWGFPJZELZ-CVEARBPZSA-N 2 0 321.465 0.990 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001090355491 755666252 /nfs/dbraw/zinc/66/62/52/755666252.db2.gz PVBGNWGFPJZELZ-HOTGVXAUSA-N 2 0 321.465 0.990 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)[C@H](OC)C1 ZINC001082384088 757090043 /nfs/dbraw/zinc/09/00/43/757090043.db2.gz CCLTZFUZGPVSKX-IAGOWNOFSA-N 2 0 317.433 0.170 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(C)C)C[C@H]2OC)CC1 ZINC001082383148 757090653 /nfs/dbraw/zinc/09/06/53/757090653.db2.gz KKPICQRDLZWWRC-IAGOWNOFSA-N 2 0 321.465 0.803 20 30 DCEDRP C#CCC[NH+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001083110584 757469797 /nfs/dbraw/zinc/46/97/97/757469797.db2.gz KTTRQDSVCNUTGC-YESZJQIVSA-N 2 0 319.449 0.796 20 30 DCEDRP C=C(C)C[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117589 759191425 /nfs/dbraw/zinc/19/14/25/759191425.db2.gz UQHLRAYNTXYEOC-IRXDYDNUSA-N 2 0 320.481 0.733 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147824501 767853687 /nfs/dbraw/zinc/85/36/87/767853687.db2.gz KHBJXHPCSDVAAC-KGLIPLIRSA-N 2 0 310.442 0.115 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001052571522 759499570 /nfs/dbraw/zinc/49/95/70/759499570.db2.gz GWJAPHDUADYYRS-GARNVTTQSA-N 2 0 317.433 0.454 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001086251976 759907218 /nfs/dbraw/zinc/90/72/18/759907218.db2.gz SXSUBBUBVBIKJB-OKILXGFUSA-N 2 0 309.373 0.999 20 30 DCEDRP C=CCC[NH+](CCO)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001098451093 760304873 /nfs/dbraw/zinc/30/48/73/760304873.db2.gz VKMGKDNAIJTWGF-MRXNPFEDSA-N 2 0 309.454 0.942 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100124266 760441284 /nfs/dbraw/zinc/44/12/84/760441284.db2.gz FUMHUZSYVNTQMM-CVEARBPZSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100125069 760445754 /nfs/dbraw/zinc/44/57/54/760445754.db2.gz RJBKBPQZYQUDJC-HOTGVXAUSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100127515 761159288 /nfs/dbraw/zinc/15/92/88/761159288.db2.gz WDWYPQXSUMOXEP-JKSUJKDBSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001070475167 761263316 /nfs/dbraw/zinc/26/33/16/761263316.db2.gz HDGHRHKVBRZYKJ-NUEKZKHPSA-N 2 0 317.437 0.584 20 30 DCEDRP C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109864481 761584754 /nfs/dbraw/zinc/58/47/54/761584754.db2.gz DTOKBGFFESBAHD-ILXRZTDVSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CCNCc1cn([C@H]2CCN(C(=O)C[N@@H+](C)CCC)C2)nn1 ZINC001098774936 762729492 /nfs/dbraw/zinc/72/94/92/762729492.db2.gz VEJQPIRTXIJTEG-HNNXBMFYSA-N 2 0 318.425 0.116 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001099343340 762866708 /nfs/dbraw/zinc/86/67/08/762866708.db2.gz KGXVGQMLNCTZFI-VXGBXAGGSA-N 2 0 303.328 0.694 20 30 DCEDRP C#CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC2(CCOCC2)C1 ZINC001099589362 762907566 /nfs/dbraw/zinc/90/75/66/762907566.db2.gz WZSSXZMCKIGFCS-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)C1CCCCC1 ZINC001129770124 763006775 /nfs/dbraw/zinc/00/67/75/763006775.db2.gz BHZLYYRXDDRLMP-DLBZAZTESA-N 2 0 321.465 0.731 20 30 DCEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001099985500 763188961 /nfs/dbraw/zinc/18/89/61/763188961.db2.gz CXRFUBVUKRZMFB-HOTGVXAUSA-N 2 0 309.454 0.846 20 30 DCEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100075931 763285913 /nfs/dbraw/zinc/28/59/13/763285913.db2.gz CKCUCBQOEHGBLG-HUUCEWRRSA-N 2 0 313.442 0.082 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130708638 763455447 /nfs/dbraw/zinc/45/54/47/763455447.db2.gz BUFJEQYTABEYAJ-GJZGRUSLSA-N 2 0 324.469 0.503 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001100410599 763560098 /nfs/dbraw/zinc/56/00/98/763560098.db2.gz DTUZBLSBUDJPGS-UHFFFAOYSA-N 2 0 307.438 0.605 20 30 DCEDRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]CC#CCOC)C1 ZINC001100460101 763589912 /nfs/dbraw/zinc/58/99/12/763589912.db2.gz POTXLEMZIKUZRB-UHFFFAOYSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001100617245 763684449 /nfs/dbraw/zinc/68/44/49/763684449.db2.gz KKUXZTQLMQQMQT-UHFFFAOYSA-N 2 0 322.453 0.115 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001100785340 763785297 /nfs/dbraw/zinc/78/52/97/763785297.db2.gz FZBZHEGLYLYYON-UHFFFAOYSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001131587936 763873405 /nfs/dbraw/zinc/87/34/05/763873405.db2.gz HLNSFFNUYHAHQE-AEFFLSMTSA-N 2 0 321.465 0.947 20 30 DCEDRP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC#CCOC)C2)[NH+](C)C ZINC001111875260 765412109 /nfs/dbraw/zinc/41/21/09/765412109.db2.gz VOTCMEZZOYRVOB-BQFCYCMXSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583478 765581075 /nfs/dbraw/zinc/58/10/75/765581075.db2.gz LFMZKOBJUXBOBU-UONOGXRCSA-N 2 0 324.469 0.646 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298720 765873386 /nfs/dbraw/zinc/87/33/86/765873386.db2.gz OOTRVZVJUKUCCP-GJZGRUSLSA-N 2 0 309.454 0.851 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135510866 765965380 /nfs/dbraw/zinc/96/53/80/765965380.db2.gz GZVIJCNNXYCREC-UHFFFAOYSA-N 2 0 312.458 0.459 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](O)C1 ZINC001090671037 766452845 /nfs/dbraw/zinc/45/28/45/766452845.db2.gz FUXXYSYGUFDVMM-JKSUJKDBSA-N 2 0 307.438 0.293 20 30 DCEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001091150812 766960000 /nfs/dbraw/zinc/96/00/00/766960000.db2.gz AAYGSDSLKVUAEJ-UZZMVUAXSA-N 2 0 305.422 0.520 20 30 DCEDRP CC#CC[NH2+]C1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001202881174 768448391 /nfs/dbraw/zinc/44/83/91/768448391.db2.gz QVBQDDFJGFZHAH-UHFFFAOYSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001171508410 769312115 /nfs/dbraw/zinc/31/21/15/769312115.db2.gz DGYTZCJBVMGIFL-LSDHHAIUSA-N 2 0 324.469 0.341 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151365879 769322112 /nfs/dbraw/zinc/32/21/12/769322112.db2.gz DTYIEDQNXUAHKI-OAHLLOKOSA-N 2 0 324.469 0.649 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCC(F)(F)F)CC1 ZINC001152323888 769528270 /nfs/dbraw/zinc/52/82/70/769528270.db2.gz GNBQVPLIEOPLCJ-UHFFFAOYSA-N 2 0 305.344 0.990 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2CC)C1=O ZINC001152457406 769564610 /nfs/dbraw/zinc/56/46/10/769564610.db2.gz DEYGLUAZOXOZSA-GJZGRUSLSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCOCC[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150242047 769703892 /nfs/dbraw/zinc/70/38/92/769703892.db2.gz TZTAVAQTOZBGBM-OAHLLOKOSA-N 2 0 313.442 0.348 20 30 DCEDRP N#Cc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)ccc1F ZINC001235871043 769955223 /nfs/dbraw/zinc/95/52/23/769955223.db2.gz RQPPDJICRHSZGY-UHFFFAOYSA-N 2 0 305.401 0.282 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2cnoc2C)CC1 ZINC001176926386 770225675 /nfs/dbraw/zinc/22/56/75/770225675.db2.gz KNECJZFJZNTNLH-UHFFFAOYSA-N 2 0 318.421 0.924 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC[C@H]2CCOC2)CC1 ZINC001176926873 770227057 /nfs/dbraw/zinc/22/70/57/770227057.db2.gz YMGFZSYEGYWHDD-INIZCTEOSA-N 2 0 321.465 0.854 20 30 DCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001179178943 770952488 /nfs/dbraw/zinc/95/24/88/770952488.db2.gz DZNHZNLBBPMSIY-GZOJWHRLSA-N 2 0 317.433 0.452 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158202265 771740306 /nfs/dbraw/zinc/74/03/06/771740306.db2.gz KCYLFGUQBTTWTN-UKRRQHHQSA-N 2 0 322.453 0.115 20 30 DCEDRP COCC#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001159629102 771936430 /nfs/dbraw/zinc/93/64/30/771936430.db2.gz UGUSFONUPGOICO-KRWDZBQOSA-N 2 0 319.449 0.869 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H](C2CC2)[NH+](C)C)C1=O ZINC001159932752 771980381 /nfs/dbraw/zinc/98/03/81/771980381.db2.gz USLHPXRUYDDGTG-GJZGRUSLSA-N 2 0 322.453 0.209 20 30 DCEDRP C=CCOC(=O)N[C@H]1CCCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161536515 772241318 /nfs/dbraw/zinc/24/13/18/772241318.db2.gz FILOEDANUWXAKQ-UONOGXRCSA-N 2 0 324.425 0.217 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001192378702 772911730 /nfs/dbraw/zinc/91/17/30/772911730.db2.gz XESZDAGYFBZXFW-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001192788896 772959006 /nfs/dbraw/zinc/95/90/06/772959006.db2.gz QGEXPUJVYQXXHG-MRXNPFEDSA-N 2 0 317.437 0.614 20 30 DCEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001205345567 772988422 /nfs/dbraw/zinc/98/84/22/772988422.db2.gz RCGMWXHFHVQMAF-DLBZAZTESA-N 2 0 319.449 0.701 20 30 DCEDRP C#CC[NH2+]CC1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)CC1 ZINC001206319745 773066041 /nfs/dbraw/zinc/06/60/41/773066041.db2.gz LTOYTLQZCYNFIU-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001193893024 773125830 /nfs/dbraw/zinc/12/58/30/773125830.db2.gz XGXJJBYKGVJLOW-BZUAXINKSA-N 2 0 309.454 0.988 20 30 DCEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001206930034 773138175 /nfs/dbraw/zinc/13/81/75/773138175.db2.gz PFZWQKZOVZRCMS-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207706164 773277667 /nfs/dbraw/zinc/27/76/67/773277667.db2.gz QQCVUJYJZJOUSD-HUUCEWRRSA-N 2 0 309.454 0.967 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070276 773394447 /nfs/dbraw/zinc/39/44/47/773394447.db2.gz ICYFLERAMPUBNM-BZUAXINKSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210217714 773686009 /nfs/dbraw/zinc/68/60/09/773686009.db2.gz LSJBYJLFWDPVQG-LSDHHAIUSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210782897 773736095 /nfs/dbraw/zinc/73/60/95/773736095.db2.gz PQCSQUJWABHBTL-CQSZACIVSA-N 2 0 310.442 0.211 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC#CCOC)C1 ZINC001210789060 773739155 /nfs/dbraw/zinc/73/91/55/773739155.db2.gz MHZBWVWHYGFMJC-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2C)C1 ZINC001198672318 773962907 /nfs/dbraw/zinc/96/29/07/773962907.db2.gz MPUGVVDMLZTJQR-NWANDNLSSA-N 2 0 306.410 0.708 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC#CCOC)C1 ZINC001214780290 774013891 /nfs/dbraw/zinc/01/38/91/774013891.db2.gz TYLKGYOZEYAVJB-ZACQAIPSSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458931 774074560 /nfs/dbraw/zinc/07/45/60/774074560.db2.gz QOHVXYJCVFOKRF-HZSPNIEDSA-N 2 0 310.442 0.065 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCCO1 ZINC001200887537 774425344 /nfs/dbraw/zinc/42/53/44/774425344.db2.gz NNNDHQUZBYTWBS-OAHLLOKOSA-N 2 0 305.422 0.455 20 30 DCEDRP N#C[C@@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)c1ccccc1 ZINC001219557475 774536489 /nfs/dbraw/zinc/53/64/89/774536489.db2.gz ANTDJWZOBZWAIU-HUUCEWRRSA-N 2 0 301.394 0.118 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001201864020 774560409 /nfs/dbraw/zinc/56/04/09/774560409.db2.gz RXDDUWBOHAOPFN-HOTGVXAUSA-N 2 0 307.438 0.559 20 30 DCEDRP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)C1 ZINC001219645198 774571088 /nfs/dbraw/zinc/57/10/88/774571088.db2.gz JGIQWPWHGVCNOT-IOASZLSFSA-N 2 0 300.406 0.790 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202060219 774596558 /nfs/dbraw/zinc/59/65/58/774596558.db2.gz VLZMOBXXMKPFEW-ZIAGYGMSSA-N 2 0 315.845 0.898 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001202358718 774640450 /nfs/dbraw/zinc/64/04/50/774640450.db2.gz DSRDNEMGIMDZTF-MRXNPFEDSA-N 2 0 324.469 0.455 20 30 DCEDRP C#CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922882 774646542 /nfs/dbraw/zinc/64/65/42/774646542.db2.gz MMKHICKHRCKYEU-CVEARBPZSA-N 2 0 321.465 0.824 20 30 DCEDRP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114409468 774846600 /nfs/dbraw/zinc/84/66/00/774846600.db2.gz LPENZRHVCHKNMZ-JJXSEGSLSA-N 2 0 307.438 0.576 20 30 DCEDRP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771428 774911434 /nfs/dbraw/zinc/91/14/34/774911434.db2.gz SLVNZOUIEWCHNA-CVEARBPZSA-N 2 0 321.465 0.990 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154305 775010151 /nfs/dbraw/zinc/01/01/51/775010151.db2.gz KWVZIBCBCKIBEJ-CVEARBPZSA-N 2 0 307.438 0.437 20 30 DCEDRP COCC#CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001223611548 775505381 /nfs/dbraw/zinc/50/53/81/775505381.db2.gz SJVQNPOFDZOUEX-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH+]1CCC(CNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001224536215 775579354 /nfs/dbraw/zinc/57/93/54/775579354.db2.gz JVRRFSZKDZYUMU-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH+]1CCC(CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001225020109 775631034 /nfs/dbraw/zinc/63/10/34/775631034.db2.gz OXDKGQFQNVCKJC-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH+]1CCC(CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001225019362 775631611 /nfs/dbraw/zinc/63/16/11/775631611.db2.gz AUGHSGWEVIVLOX-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c[nH+]cc2c1 ZINC001114521421 775896511 /nfs/dbraw/zinc/89/65/11/775896511.db2.gz PPDOFYJCKOEUAO-FVQHAEBGSA-N 2 0 324.384 0.644 20 30 DCEDRP COCC#CC[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001227408705 775971587 /nfs/dbraw/zinc/97/15/87/775971587.db2.gz SIQDPDWEWDKTKN-QGZVFWFLSA-N 2 0 319.449 0.559 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001230268062 776272874 /nfs/dbraw/zinc/27/28/74/776272874.db2.gz ZMEOUWPFBQWLPD-CQSZACIVSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001041764316 777479553 /nfs/dbraw/zinc/47/95/53/777479553.db2.gz YEFORYIADALYIH-GOSISDBHSA-N 2 0 319.449 0.655 20 30 DCEDRP C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317861137 945208631 /nfs/dbraw/zinc/20/86/31/945208631.db2.gz MRCYTUACPHFVEC-HUUCEWRRSA-N 2 0 322.453 0.021 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001266264735 939035200 /nfs/dbraw/zinc/03/52/00/939035200.db2.gz HCQNRZCCRSQDDA-INIZCTEOSA-N 2 0 308.470 0.330 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266532883 939154218 /nfs/dbraw/zinc/15/42/18/939154218.db2.gz AZXCZBVLMGRGIM-HZPDHXFCSA-N 2 0 309.454 0.661 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001266993731 939300799 /nfs/dbraw/zinc/30/07/99/939300799.db2.gz DSYQPLSGMISDSP-HUUCEWRRSA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)C[N@H+](C)C2CCC2)C1=O ZINC001267384598 939444028 /nfs/dbraw/zinc/44/40/28/939444028.db2.gz YIVBASOJIZNWCO-HNNXBMFYSA-N 2 0 322.453 0.306 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC#CCOC)CC[N@@H+]1C ZINC001481039259 939536415 /nfs/dbraw/zinc/53/64/15/939536415.db2.gz KWZLAIYPFCDOST-IXDOHACOSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+]C[C@](C)(NC(=O)c1ccn(CC[NH+](C)C)n1)C1CC1 ZINC001267852656 939695204 /nfs/dbraw/zinc/69/52/04/939695204.db2.gz FMVMDKMYGIYBQQ-KRWDZBQOSA-N 2 0 317.437 0.566 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C[NH+]2CCCC2)C1=O ZINC001268100590 939947310 /nfs/dbraw/zinc/94/73/10/939947310.db2.gz NPHRMWXNAJYLRX-LSDHHAIUSA-N 2 0 322.453 0.306 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001269493552 940719466 /nfs/dbraw/zinc/71/94/66/940719466.db2.gz YAQNZYQRKUYABC-KGLIPLIRSA-N 2 0 322.453 0.257 20 30 DCEDRP C#CCNC(=O)C[NH2+]CC1(NC(=O)C[N@@H+](C)C(C)C)CCCC1 ZINC001269592633 940738240 /nfs/dbraw/zinc/73/82/40/940738240.db2.gz WWWYVMKGZGVYTK-UHFFFAOYSA-N 2 0 322.453 0.095 20 30 DCEDRP C#CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](C[C@H](C)O)CC1 ZINC001270331545 940881917 /nfs/dbraw/zinc/88/19/17/940881917.db2.gz HYMXBYCTEUEMOJ-RDJZCZTQSA-N 2 0 321.465 0.778 20 30 DCEDRP C#CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001270345632 940884934 /nfs/dbraw/zinc/88/49/34/940884934.db2.gz ISWNXAOFHZBHNZ-JKSUJKDBSA-N 2 0 321.465 0.635 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001270520484 940915992 /nfs/dbraw/zinc/91/59/92/940915992.db2.gz MTKIIHZYGMVUJD-MRXNPFEDSA-N 2 0 306.454 0.180 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001271427458 941373197 /nfs/dbraw/zinc/37/31/97/941373197.db2.gz QMGOXVWZNBFQRS-DOTOQJQBSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CC2CC(C)C2)CC1 ZINC001482800179 941674678 /nfs/dbraw/zinc/67/46/78/941674678.db2.gz UMFIQKFQMGTLOR-DQPZFDDXSA-N 2 0 321.465 0.444 20 30 DCEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083601782 942088404 /nfs/dbraw/zinc/08/84/04/942088404.db2.gz MZXWBKJATFFNBW-CABCVRRESA-N 2 0 307.438 0.742 20 30 DCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001083607471 942137087 /nfs/dbraw/zinc/13/70/87/942137087.db2.gz ZSUCRHLNGTVCTP-CABCVRRESA-N 2 0 300.362 0.685 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]C[C@H](C)OC)C2CC2)CC1 ZINC001483608673 942461201 /nfs/dbraw/zinc/46/12/01/942461201.db2.gz UPXPEBPUWFPZGX-WMLDXEAASA-N 2 0 321.465 0.851 20 30 DCEDRP C=C(C)C[NH2+]CC1(O)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001484961018 943633220 /nfs/dbraw/zinc/63/32/20/943633220.db2.gz OSHPENLMDONAGG-OAHLLOKOSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001484955314 943637138 /nfs/dbraw/zinc/63/71/38/943637138.db2.gz YVDCKEOVXPGQPS-LSDHHAIUSA-N 2 0 307.438 0.293 20 30 DCEDRP C=CCCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001484958193 943637667 /nfs/dbraw/zinc/63/76/67/943637667.db2.gz KEIFKYDIWUDAKN-OAHLLOKOSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001484995038 943649771 /nfs/dbraw/zinc/64/97/71/943649771.db2.gz AFFMAPXYWOJWCO-HNNXBMFYSA-N 2 0 307.438 0.749 20 30 DCEDRP C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001485346811 943860435 /nfs/dbraw/zinc/86/04/35/943860435.db2.gz XWNXTWFSZYAWEZ-KBPBESRZSA-N 2 0 310.442 0.162 20 30 DCEDRP C=CCC[C@H](C)N1CC(CCO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001485400378 943920139 /nfs/dbraw/zinc/92/01/39/943920139.db2.gz DVCCJODLJJVROO-GJZGRUSLSA-N 2 0 309.454 0.988 20 30 DCEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001276777568 944294991 /nfs/dbraw/zinc/29/49/91/944294991.db2.gz DREYXWSFFLPYDE-HOCLYGCPSA-N 2 0 307.438 0.700 20 30 DCEDRP C=C(C)C[NH2+][C@@H](C)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001276812781 944310204 /nfs/dbraw/zinc/31/02/04/944310204.db2.gz MBCYYGCWFGXMPN-LSDHHAIUSA-N 2 0 307.438 0.864 20 30 DCEDRP CC#CC[NH2+][C@H](CO)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001486021735 944482501 /nfs/dbraw/zinc/48/25/01/944482501.db2.gz ZFXUJWDTBYWVKP-HNNXBMFYSA-N 2 0 309.454 0.731 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001317125990 944811495 /nfs/dbraw/zinc/81/14/95/944811495.db2.gz HMIUIPMDQXQDMQ-MELADBBJSA-N 2 0 308.426 0.010 20 30 DCEDRP CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC#CCOC)C1)[NH+](C)C ZINC001317382730 944948014 /nfs/dbraw/zinc/94/80/14/944948014.db2.gz GWTZMCSGWDCVJQ-HOTGVXAUSA-N 2 0 309.454 0.899 20 30 DCEDRP C=CCOC(=O)[C@H](CCCC[NH3+])NC1C[C@@H]2COC[C@H](C1)[NH2+]2 ZINC001246310253 945381298 /nfs/dbraw/zinc/38/12/98/945381298.db2.gz GRUNTDKKIKMXCG-DKUMPPAJSA-N 2 0 311.426 0.322 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC#CCOC ZINC001318529387 945394503 /nfs/dbraw/zinc/39/45/03/945394503.db2.gz KZAWOHZRUOAUFU-HOTGVXAUSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@@H+](C1CC[NH2+]CC1)C2 ZINC001246691332 945462896 /nfs/dbraw/zinc/46/28/96/945462896.db2.gz FIPWNAZLCOPLEK-SFHVURJKSA-N 2 0 320.481 0.922 20 30 DCEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246768494 945487062 /nfs/dbraw/zinc/48/70/62/945487062.db2.gz OSUACTBFHNRBGY-XYJFISCASA-N 2 0 321.465 0.907 20 30 DCEDRP C=CCOC[C@@H](O)CNc1ncccc1N1CC[NH+](C)CC1 ZINC001252458324 945936844 /nfs/dbraw/zinc/93/68/44/945936844.db2.gz IAQBNHJQCWPQMM-AWEZNQCLSA-N 2 0 306.410 0.809 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001320642760 945959592 /nfs/dbraw/zinc/95/95/92/945959592.db2.gz ADNCRIPJJAGISQ-MRXNPFEDSA-N 2 0 309.454 0.997 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CCO1 ZINC001273261987 946343134 /nfs/dbraw/zinc/34/31/34/946343134.db2.gz ZXLKWPIXRSIUKP-HZPDHXFCSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CCO1 ZINC001273277667 946415279 /nfs/dbraw/zinc/41/52/79/946415279.db2.gz WWFNXVZRNMEZKL-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2conc2C)CC1 ZINC001322086836 946570572 /nfs/dbraw/zinc/57/05/72/946570572.db2.gz DJEDAIHEBGXNJX-ZDUSSCGKSA-N 2 0 318.421 0.923 20 30 DCEDRP C#CCC[N@@H+](C)C[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001322260417 946630161 /nfs/dbraw/zinc/63/01/61/946630161.db2.gz ABTUYLBZGITBHV-AWEZNQCLSA-N 2 0 305.426 0.518 20 30 DCEDRP C=C(Br)C[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001411093852 947323085 /nfs/dbraw/zinc/32/30/85/947323085.db2.gz VYIURNNXAFHGQJ-NSHDSACASA-N 2 0 322.247 0.256 20 30 DCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001325511200 947820724 /nfs/dbraw/zinc/82/07/24/947820724.db2.gz ZZGDNUCSDNZJPG-CABCVRRESA-N 2 0 319.453 0.928 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001179779864 947903988 /nfs/dbraw/zinc/90/39/88/947903988.db2.gz ZUHYHCGEIWYZPH-IRXDYDNUSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCCC[N@H+]1CCC[C@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001325864787 947958106 /nfs/dbraw/zinc/95/81/06/947958106.db2.gz IGKSESXTXJKCCO-SFHVURJKSA-N 2 0 321.465 0.992 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)CCO1 ZINC001327078134 948388650 /nfs/dbraw/zinc/38/86/50/948388650.db2.gz CEJMQXMWQOXBAW-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001327576406 948558162 /nfs/dbraw/zinc/55/81/62/948558162.db2.gz GBVNAHPKPDKRLM-WMZOPIPTSA-N 2 0 321.465 0.683 20 30 DCEDRP C=CCCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001327607555 948569766 /nfs/dbraw/zinc/56/97/66/948569766.db2.gz ORWYTSSJLSPAQD-DOTOQJQBSA-N 2 0 309.454 0.847 20 30 DCEDRP C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001493129322 948610936 /nfs/dbraw/zinc/61/09/36/948610936.db2.gz AJBRRQKBNRQWII-GJZGRUSLSA-N 2 0 322.453 0.306 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001327777422 948623458 /nfs/dbraw/zinc/62/34/58/948623458.db2.gz FQXPVMRKRWVNCI-KFWWJZLASA-N 2 0 324.469 0.598 20 30 DCEDRP C#CCN1CC[C@@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001273864527 948640205 /nfs/dbraw/zinc/64/02/05/948640205.db2.gz XVYCSFLVPOUOCK-RHSMWYFYSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CCN1CC[C@]2(CCCN2C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001273864142 948640636 /nfs/dbraw/zinc/64/06/36/948640636.db2.gz SNBRZLRLCQFZKS-RHSMWYFYSA-N 2 0 307.438 0.436 20 30 DCEDRP C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001264080700 948875612 /nfs/dbraw/zinc/87/56/12/948875612.db2.gz UKMBIAVURWLWMJ-HZPDHXFCSA-N 2 0 309.454 0.635 20 30 DCEDRP CC#CC[N@H+](C)CCOCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001264106305 948885129 /nfs/dbraw/zinc/88/51/29/948885129.db2.gz WPRRCLCODCWZOC-QGZVFWFLSA-N 2 0 321.465 0.758 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC#CCOC)CC[C@@H]2C1 ZINC001264655683 949050652 /nfs/dbraw/zinc/05/06/52/949050652.db2.gz JWHOZPOYYYPYJI-SJORKVTESA-N 2 0 321.465 0.758 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001264658387 949053187 /nfs/dbraw/zinc/05/31/87/949053187.db2.gz KBCAYLPHSPMTEH-SJORKVTESA-N 2 0 321.465 0.757 20 30 DCEDRP CC#CC[N@H+](C)CCOCCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001264666114 949059374 /nfs/dbraw/zinc/05/93/74/949059374.db2.gz DXVXVLCAVJLLFV-MRXNPFEDSA-N 2 0 309.454 0.758 20 30 DCEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001488917471 949337700 /nfs/dbraw/zinc/33/77/00/949337700.db2.gz FFDVJEAWEZZUGY-JKSUJKDBSA-N 2 0 321.465 0.853 20 30 DCEDRP CC#CC[NH2+]CCCCCCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001489097687 949482275 /nfs/dbraw/zinc/48/22/75/949482275.db2.gz GRPGYOFUCZZDAU-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)[C@H]2C)C1=O ZINC001489288545 949665567 /nfs/dbraw/zinc/66/55/67/949665567.db2.gz HEOKSTVSRHESDR-QLFBSQMISA-N 2 0 322.453 0.304 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001265543777 949755419 /nfs/dbraw/zinc/75/54/19/949755419.db2.gz QLXQCFKTYXIPLC-XHSDSOJGSA-N 2 0 307.438 0.747 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001265679271 949870742 /nfs/dbraw/zinc/87/07/42/949870742.db2.gz BCKXJESSXWBJOV-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001265874503 950073144 /nfs/dbraw/zinc/07/31/44/950073144.db2.gz FVBMKIOHHXVBOI-HUUCEWRRSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001281530199 951531616 /nfs/dbraw/zinc/53/16/16/951531616.db2.gz HYBNGUNVNVYWCO-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001332413242 951636370 /nfs/dbraw/zinc/63/63/70/951636370.db2.gz MJCYDSPQCDUZHB-OAHLLOKOSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001332523153 951680125 /nfs/dbraw/zinc/68/01/25/951680125.db2.gz SWVCJRJGBDGKDK-AWEZNQCLSA-N 2 0 323.462 0.856 20 30 DCEDRP C=CCCC[NH2+]CC1(O)CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001274573296 951710983 /nfs/dbraw/zinc/71/09/83/951710983.db2.gz UMQCXPUODFTTMX-UHFFFAOYSA-N 2 0 306.410 0.862 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001332604727 951718690 /nfs/dbraw/zinc/71/86/90/951718690.db2.gz BXCWWNPXQINIGI-HZPDHXFCSA-N 2 0 309.454 0.539 20 30 DCEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001332605122 951719030 /nfs/dbraw/zinc/71/90/30/951719030.db2.gz HCTBHDXPNXOALU-INIZCTEOSA-N 2 0 303.406 0.404 20 30 DCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001274589638 951720877 /nfs/dbraw/zinc/72/08/77/951720877.db2.gz RSQWZKHPDSKZAO-OAHLLOKOSA-N 2 0 309.454 0.990 20 30 DCEDRP C=C[C@](C)(O)C[N@@H+]1CCC[C@]12CCN(CCn1ccnc1)C2=O ZINC001274617341 951745402 /nfs/dbraw/zinc/74/54/02/951745402.db2.gz XKINGXLYOFBQJR-DLBZAZTESA-N 2 0 318.421 0.887 20 30 DCEDRP COCC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001332986004 951874093 /nfs/dbraw/zinc/87/40/93/951874093.db2.gz XAGIYCLEVPPBBD-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001274941715 951901301 /nfs/dbraw/zinc/90/13/01/951901301.db2.gz RPHXLBWNSJKAFI-UHFFFAOYSA-N 2 0 321.465 0.829 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)CC#CCOC ZINC001275160811 951977368 /nfs/dbraw/zinc/97/73/68/951977368.db2.gz ROQSCCANHLVNHU-INIZCTEOSA-N 2 0 309.454 0.901 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001275258894 952033344 /nfs/dbraw/zinc/03/33/44/952033344.db2.gz LQUXUYMCZLRIRM-KBPBESRZSA-N 2 0 324.469 0.646 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)C1=O ZINC001275273347 952040796 /nfs/dbraw/zinc/04/07/96/952040796.db2.gz BXRXKIPUXIAKKR-ZNMIVQPWSA-N 2 0 322.453 0.352 20 30 DCEDRP COCC#CC[NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001276099479 952915047 /nfs/dbraw/zinc/91/50/47/952915047.db2.gz KXKCAEWYJZZVQQ-UHFFFAOYSA-N 2 0 307.438 0.703 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC001339906387 953129695 /nfs/dbraw/zinc/12/96/95/953129695.db2.gz AIPWXKJIMJBJKB-UHFFFAOYSA-N 2 0 322.453 0.494 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)CCO)CC1 ZINC001281969318 953435189 /nfs/dbraw/zinc/43/51/89/953435189.db2.gz UICGAKHSSROWCA-INIZCTEOSA-N 2 0 307.438 0.247 20 30 DCEDRP C#CCC[NH2+]CC1(NC(=O)[C@H]2CN(C)CCO2)CCCCC1 ZINC001282605308 953634063 /nfs/dbraw/zinc/63/40/63/953634063.db2.gz HBDDXQFQASAHPU-OAHLLOKOSA-N 2 0 307.438 0.749 20 30 DCEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC001345596943 953690946 /nfs/dbraw/zinc/69/09/46/953690946.db2.gz GKLGDABUOCSZMI-LBPRGKRZSA-N 2 0 303.366 0.335 20 30 DCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001345754164 953715232 /nfs/dbraw/zinc/71/52/32/953715232.db2.gz XRNOUSHXUFFMDE-SOUVJXGZSA-N 2 0 308.426 0.752 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(NCC2(O)CCOCC2)=[NH+]C)CC1 ZINC001347736609 954156959 /nfs/dbraw/zinc/15/69/59/954156959.db2.gz ZHRRMOMFEFSNNG-UHFFFAOYSA-N 2 0 324.469 0.733 20 30 DCEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001284430800 955086932 /nfs/dbraw/zinc/08/69/32/955086932.db2.gz VVUPGQMYMFWEQY-AWEZNQCLSA-N 2 0 302.378 0.851 20 30 DCEDRP C[NH+](C)C[C@](C)(O)C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001353327226 956020990 /nfs/dbraw/zinc/02/09/90/956020990.db2.gz HSQRVYPLNDPSQK-MRXNPFEDSA-N 2 0 304.394 0.789 20 30 DCEDRP C#CC[NH2+]CC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001357398386 957270299 /nfs/dbraw/zinc/27/02/99/957270299.db2.gz XMYLWCBOOREZEX-UHFFFAOYSA-N 2 0 315.417 0.482 20 30 DCEDRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2C#N)C1 ZINC001367626858 958216341 /nfs/dbraw/zinc/21/63/41/958216341.db2.gz QNWGYGNIYBFCND-HOTGVXAUSA-N 2 0 316.405 0.077 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCC[C@@H](C)O)CC1 ZINC001491682507 959044185 /nfs/dbraw/zinc/04/41/85/959044185.db2.gz MBZCTSFZLWCIGB-LSDHHAIUSA-N 2 0 309.454 0.587 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2ccn(C)n2)CC1 ZINC001491683349 959049672 /nfs/dbraw/zinc/04/96/72/959049672.db2.gz SQIDFQMCAISLMC-CQSZACIVSA-N 2 0 317.437 0.360 20 30 DCEDRP C=CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001491704555 959074811 /nfs/dbraw/zinc/07/48/11/959074811.db2.gz FMAXGKJCSXMIMU-HUUCEWRRSA-N 2 0 324.469 0.457 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001491857666 959313024 /nfs/dbraw/zinc/31/30/24/959313024.db2.gz XGVIRJNUONFNSQ-HZPDHXFCSA-N 2 0 307.438 0.416 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC001311395749 960251673 /nfs/dbraw/zinc/25/16/73/960251673.db2.gz VWHGYXDJNSPRCJ-UHFFFAOYSA-N 2 0 314.433 0.909 20 30 DCEDRP N#Cc1ccc(C[NH2+]C[C@@H](O)CNC(=O)C[NH+]2CCCC2)cc1 ZINC001379289956 962550441 /nfs/dbraw/zinc/55/04/41/962550441.db2.gz QANYAYVZCKKFOQ-MRXNPFEDSA-N 2 0 316.405 0.221 20 30 DCEDRP C=C(Cl)CN(C)C[C@H](O)CN(C)C(=O)Cn1ccnc1C ZINC001449246297 1014346889 /nfs/dbraw/zinc/34/68/89/1014346889.db2.gz PVSHLRAMTPEFAN-ZDUSSCGKSA-N 2 0 314.817 0.695 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCCO)C2)CC1 ZINC001507428605 1016320932 /nfs/dbraw/zinc/32/09/32/1016320932.db2.gz SIPAFRSMXWRVJN-DOTOQJQBSA-N 2 0 321.465 0.589 20 30 DCEDRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC001445271423 1011600353 /nfs/dbraw/zinc/60/03/53/1011600353.db2.gz RBUCIGVGPCFLAV-INIZCTEOSA-N 2 0 318.421 0.465 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC001556066839 1012179538 /nfs/dbraw/zinc/17/95/38/1012179538.db2.gz BAOVWJRZXPJAMM-AWEZNQCLSA-N 2 0 312.458 0.313 20 30 DCEDRP C=CCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001548703921 1013003047 /nfs/dbraw/zinc/00/30/47/1013003047.db2.gz WIWUVLAQPVPNJN-GOEBONIOSA-N 2 0 306.454 0.531 20 30 DCEDRP COCC#CC[NH+]1CCC(C)(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001499997954 1018165965 /nfs/dbraw/zinc/16/59/65/1018165965.db2.gz YHTUXDUAWASHBP-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](C[C@H](C)O)CC1 ZINC001500057219 1018193699 /nfs/dbraw/zinc/19/36/99/1018193699.db2.gz DNTKYGFFKCXQKT-HNNXBMFYSA-N 2 0 309.454 0.634 20 30 DCEDRP COCC#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001495233846 1018413361 /nfs/dbraw/zinc/41/33/61/1018413361.db2.gz MZYJPLDMFMCFDF-DOTOQJQBSA-N 2 0 307.438 0.605 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001495728672 1018672416 /nfs/dbraw/zinc/67/24/16/1018672416.db2.gz CODXBTJMCOEAMX-PMPSAXMXSA-N 2 0 309.454 0.708 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001480674279 1018766152 /nfs/dbraw/zinc/76/61/52/1018766152.db2.gz MYGABGKDPPDAHT-CVEARBPZSA-N 2 0 307.438 0.416 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001496206342 1019163147 /nfs/dbraw/zinc/16/31/47/1019163147.db2.gz IIJFEPNLEXXLNL-KBPBESRZSA-N 2 0 322.453 0.209 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001496206344 1019163492 /nfs/dbraw/zinc/16/34/92/1019163492.db2.gz IIJFEPNLEXXLNL-UONOGXRCSA-N 2 0 322.453 0.209 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC001502060061 1019672285 /nfs/dbraw/zinc/67/22/85/1019672285.db2.gz GZVPFZDNBBVYFX-MRXNPFEDSA-N 2 0 319.449 0.703 20 30 DCEDRP CN(C)C(=[NH2+])NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000178567277 237229924 /nfs/dbraw/zinc/22/99/24/237229924.db2.gz WSZRPOKEVZSDEN-HNNXBMFYSA-N 2 0 317.437 0.760 20 30 DCEDRP CN(CCC#N)C(=O)CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000092801309 395733482 /nfs/dbraw/zinc/73/34/82/395733482.db2.gz KEDOODGFKPEQCE-UHFFFAOYSA-N 2 0 301.394 0.966 20 30 DCEDRP CCc1nn(C)c(OC)c1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000092854345 395733562 /nfs/dbraw/zinc/73/35/62/395733562.db2.gz YKTSXPZRRCGJGZ-GFCCVEGCSA-N 2 0 322.457 0.880 20 30 DCEDRP COc1cc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1C#N ZINC000261604365 396048893 /nfs/dbraw/zinc/04/88/93/396048893.db2.gz ADFFKYJNMZESCK-OAHLLOKOSA-N 2 0 316.405 0.854 20 30 DCEDRP C=CC[C@@]1(C(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)CCC[NH2+]1 ZINC000595957568 396696213 /nfs/dbraw/zinc/69/62/13/396696213.db2.gz VXSUDDQJKZTYID-WMZOPIPTSA-N 2 0 320.481 0.923 20 30 DCEDRP CN(CCC#N)C[C@@H](O)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000596068596 396713724 /nfs/dbraw/zinc/71/37/24/396713724.db2.gz ZHVHQKJEBMHWMJ-KRWDZBQOSA-N 2 0 308.470 0.904 20 30 DCEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000598721454 397284738 /nfs/dbraw/zinc/28/47/38/397284738.db2.gz VMTONIIXBWFBQL-ZIAGYGMSSA-N 2 0 310.442 0.464 20 30 DCEDRP C=C(CNC(=O)C[NH+](C)C(C)C)CNC(=O)C[N@@H+](C)C(C)C ZINC000620747858 397300317 /nfs/dbraw/zinc/30/03/17/397300317.db2.gz HPBFDQXCJCYTLA-UHFFFAOYSA-N 2 0 312.458 0.455 20 30 DCEDRP C=CCOCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000354766579 415819380 /nfs/dbraw/zinc/81/93/80/415819380.db2.gz DEBOVDVONFWDDY-UHFFFAOYSA-N 2 0 318.421 0.913 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000491407582 416598125 /nfs/dbraw/zinc/59/81/25/416598125.db2.gz RTKMPOIRTPVQIH-CYBMUJFWSA-N 2 0 316.405 0.716 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CCCN2CC[NH+](C)CC2)CC1 ZINC000490650116 416570776 /nfs/dbraw/zinc/57/07/76/416570776.db2.gz KMDGLAJZAYXNRU-UHFFFAOYSA-N 2 0 320.481 0.428 20 30 DCEDRP CCOCC[N@@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C[C@H]1CC ZINC000424142118 416615658 /nfs/dbraw/zinc/61/56/58/416615658.db2.gz HXDXLGXPIUUDDS-HUUCEWRRSA-N 2 0 310.442 0.967 20 30 DCEDRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424142777 416615956 /nfs/dbraw/zinc/61/59/56/416615956.db2.gz FFASHCGSRDIXDH-AWEZNQCLSA-N 2 0 323.441 0.020 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)CCOCC[NH2+]C)CC1 ZINC000626970593 417189127 /nfs/dbraw/zinc/18/91/27/417189127.db2.gz QCCKAVNHCZXPHW-UHFFFAOYSA-N 2 0 312.458 0.904 20 30 DCEDRP C=CCN1CC[C@H]([N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1=O ZINC000652349560 417887898 /nfs/dbraw/zinc/88/78/98/417887898.db2.gz SNMPVNRBVGYLMF-VGWMRTNUSA-N 2 0 307.438 0.992 20 30 DCEDRP C=CCCn1cc(C[NH2+]CCCC[NH+]2CCN(C)CC2)nn1 ZINC000657307740 417845596 /nfs/dbraw/zinc/84/55/96/417845596.db2.gz IRUMSPIVZMIHAV-UHFFFAOYSA-N 2 0 306.458 0.971 20 30 DCEDRP C[C@@]12COC[C@@H]1C[NH+](CC#CC[N@H+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000661702903 418357269 /nfs/dbraw/zinc/35/72/69/418357269.db2.gz IJBPAPKIXQSATJ-XLAORIBOSA-N 2 0 304.434 0.926 20 30 DCEDRP CC[NH+](CC)[C@@H](C)CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264084031 276111275 /nfs/dbraw/zinc/11/12/75/276111275.db2.gz IKFLTKRAIOIMIV-AWEZNQCLSA-N 2 0 319.457 0.644 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)CC1 ZINC000490901194 332902889 /nfs/dbraw/zinc/90/28/89/332902889.db2.gz ZLTLRURLVLXHSI-HUUCEWRRSA-N 2 0 309.479 0.836 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000563074873 333331961 /nfs/dbraw/zinc/33/19/61/333331961.db2.gz SERNQZWLVQJJCB-UHFFFAOYSA-N 2 0 306.414 0.397 20 30 DCEDRP C[C@H](CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)N1CCOCC1 ZINC000329821407 336086164 /nfs/dbraw/zinc/08/61/64/336086164.db2.gz YNLSWVSUCDCWGT-NFAWXSAZSA-N 2 0 310.442 0.693 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C(C)(C)CN2CC[NH+](CC)CC2)C1=O ZINC000451993795 338750719 /nfs/dbraw/zinc/75/07/19/338750719.db2.gz VDHOTSOBUIYKND-HNNXBMFYSA-N 2 0 308.470 0.779 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001566855066 1159850554 /nfs/dbraw/zinc/85/05/54/1159850554.db2.gz TZMHIEHVVPPVGQ-IYBDPMFKSA-N 2 0 307.438 0.605 20 30 DCEDRP C=C(C)C[NH+](CCO)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001566133147 1159969567 /nfs/dbraw/zinc/96/95/67/1159969567.db2.gz ZDUOHAYMQFAHJG-INIZCTEOSA-N 2 0 309.454 0.942 20 30 DCEDRP COc1ccccc1CNC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178991450 534075502 /nfs/dbraw/zinc/07/55/02/534075502.db2.gz GGNYFGCMHFJEEX-CQSZACIVSA-N 2 0 303.410 0.099 20 30 DCEDRP C[NH+]=C(NCCNC(=O)C(C)(C)C)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262795211 526359082 /nfs/dbraw/zinc/35/90/82/526359082.db2.gz PGMYGVYECGXAIX-CQSZACIVSA-N 2 0 321.469 0.670 20 30 DCEDRP CC(C)[NH+]=C(NCC(=O)N(C)C)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000185520856 527382764 /nfs/dbraw/zinc/38/27/64/527382764.db2.gz ZVMXYSXZPKICMZ-AWEZNQCLSA-N 2 0 307.442 0.375 20 30 DCEDRP CC(C)[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262291686 527383202 /nfs/dbraw/zinc/38/32/02/527383202.db2.gz LLJZFVSIYPRUGH-OAHLLOKOSA-N 2 0 323.485 0.989 20 30 DCEDRP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC#CCOC)C1)[NH+](C)C ZINC001672895989 1175159990 /nfs/dbraw/zinc/15/99/90/1175159990.db2.gz ADALNDQNYMKFMM-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028036821 661093626 /nfs/dbraw/zinc/09/36/26/661093626.db2.gz IAACDTXKKKRTHO-BNQMIIOLSA-N 2 0 317.433 0.454 20 30 DCEDRP C#CCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000981209243 661103525 /nfs/dbraw/zinc/10/35/25/661103525.db2.gz FQLSJMFIVBWQBB-JKSUJKDBSA-N 2 0 305.422 0.407 20 30 DCEDRP C#CCN1CCO[C@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC000972552623 657764864 /nfs/dbraw/zinc/76/48/64/657764864.db2.gz QJXSGINPXVXPOY-DOTOQJQBSA-N 2 0 305.422 0.265 20 30 DCEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000969403398 657812226 /nfs/dbraw/zinc/81/22/26/657812226.db2.gz HVBHDJMEGLDLJL-DGNOSDGRSA-N 2 0 305.422 0.616 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2cc(-n3ccnc3)ccn2)C[C@H]1C ZINC000939464585 665584461 /nfs/dbraw/zinc/58/44/61/665584461.db2.gz UOJTZHBJDLNPGX-CZUORRHYSA-N 2 0 309.373 0.951 20 30 DCEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000971555382 658799452 /nfs/dbraw/zinc/79/94/52/658799452.db2.gz DHUYVQINEUGMAX-AWEZNQCLSA-N 2 0 305.426 0.777 20 30 DCEDRP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CC[NH+](C)CC1 ZINC001032705626 665619226 /nfs/dbraw/zinc/61/92/26/665619226.db2.gz CGJMBIDBPWWRLX-GJZGRUSLSA-N 2 0 305.422 0.406 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2CCC([NH2+]C[C@H](C)O)CC2)CC1 ZINC001026609257 659413121 /nfs/dbraw/zinc/41/31/21/659413121.db2.gz DAYXFBXKYUBNCX-OOHWJJMZSA-N 2 0 321.465 0.729 20 30 DCEDRP C=CC[NH+]1CC(CNC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC001031876012 665723111 /nfs/dbraw/zinc/72/31/11/665723111.db2.gz IEZFKYBODUEGNF-INIZCTEOSA-N 2 0 307.438 0.721 20 30 DCEDRP C=CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000046864 665730081 /nfs/dbraw/zinc/73/00/81/665730081.db2.gz WREPQAYWMVUXGF-DZGCQCFKSA-N 2 0 318.425 0.279 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698173 661764688 /nfs/dbraw/zinc/76/46/88/661764688.db2.gz BRRSNNHESLTZJW-JBCIKUTRSA-N 2 0 319.449 0.864 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001028859864 661854198 /nfs/dbraw/zinc/85/41/98/661854198.db2.gz JJHNSFXNUHDBJA-OAHLLOKOSA-N 2 0 317.437 0.520 20 30 DCEDRP C[NH+](C)CCCN(CCC#N)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000896890279 662347387 /nfs/dbraw/zinc/34/73/87/662347387.db2.gz IRLFUZOOBKGEPU-UHFFFAOYSA-N 2 0 322.453 0.791 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@@H]1C ZINC000986302183 662581379 /nfs/dbraw/zinc/58/13/79/662581379.db2.gz YMUIDPCZOMSLBP-KGLIPLIRSA-N 2 0 303.410 0.271 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000901272582 663334165 /nfs/dbraw/zinc/33/41/65/663334165.db2.gz MSQCQIZPQGCIFN-IRXDYDNUSA-N 2 0 322.497 0.979 20 30 DCEDRP C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000941345269 665978322 /nfs/dbraw/zinc/97/83/22/665978322.db2.gz QJXPONVKEQYTDW-QGZVFWFLSA-N 2 0 320.481 0.875 20 30 DCEDRP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001001076309 665990527 /nfs/dbraw/zinc/99/05/27/665990527.db2.gz NBAPSPCMFROMDB-INIZCTEOSA-N 2 0 305.422 0.477 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC000941437690 665998633 /nfs/dbraw/zinc/99/86/33/665998633.db2.gz BOIVKYLUUPXCAE-UHFFFAOYSA-N 2 0 320.481 0.875 20 30 DCEDRP C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)CC1(N(C)C)CC1 ZINC000922023087 666230146 /nfs/dbraw/zinc/23/01/46/666230146.db2.gz SVYQGPHLZSSUTC-UHFFFAOYSA-N 2 0 313.467 0.440 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CC#CC)CC2)CC1 ZINC001004201103 666475794 /nfs/dbraw/zinc/47/57/94/666475794.db2.gz JBNZDRYVLXZTDS-UHFFFAOYSA-N 2 0 301.434 0.936 20 30 DCEDRP C#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033142090 666559459 /nfs/dbraw/zinc/55/94/59/666559459.db2.gz PYKGXVNQXQSILU-IRXDYDNUSA-N 2 0 319.449 0.796 20 30 DCEDRP C[NH+]=C(NCC(=O)NC1CCCCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000083096620 666610961 /nfs/dbraw/zinc/61/09/61/666610961.db2.gz BVQNFLKHMLICRO-CQSZACIVSA-N 2 0 321.469 0.837 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C[C@H](C)O)C2)CC1 ZINC001033687499 666795922 /nfs/dbraw/zinc/79/59/22/666795922.db2.gz HTEWAYAKQOOAHN-HOCLYGCPSA-N 2 0 307.438 0.245 20 30 DCEDRP C#CCCS(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000711108366 667449217 /nfs/dbraw/zinc/44/92/17/667449217.db2.gz VYZLJXUVZGUSQS-UHFFFAOYSA-N 2 0 303.472 0.545 20 30 DCEDRP COCCC[N@H+](C)CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884226076 667504147 /nfs/dbraw/zinc/50/41/47/667504147.db2.gz JUFPHJBTEBQLBH-BBBYJDLNSA-N 2 0 308.426 0.210 20 30 DCEDRP C=CCC[C@@H](O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000923397465 667525431 /nfs/dbraw/zinc/52/54/31/667525431.db2.gz CACTZGHAIHTOSW-KFWWJZLASA-N 2 0 309.410 0.571 20 30 DCEDRP CN(CC1CC[NH+](C)CC1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884377460 667534142 /nfs/dbraw/zinc/53/41/42/667534142.db2.gz LIBQOWRCPBOUMV-ISXOHVOVSA-N 2 0 304.438 0.926 20 30 DCEDRP C#CCN(C(=O)CCN1CC[NH+](CC)CC1)C1CC[NH+](C)CC1 ZINC000886581076 667778557 /nfs/dbraw/zinc/77/85/57/667778557.db2.gz IXFDKAMYARQVED-UHFFFAOYSA-N 2 0 320.481 0.570 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000876754113 668502659 /nfs/dbraw/zinc/50/26/59/668502659.db2.gz PBMZBEZJBUZEBB-YNEHKIRRSA-N 2 0 301.818 0.514 20 30 DCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000876857470 668522014 /nfs/dbraw/zinc/52/20/14/668522014.db2.gz SDDWVEHPJHPOIR-OIISXLGYSA-N 2 0 310.401 0.955 20 30 DCEDRP C=CC[C@@]1(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCC[NH2+]1 ZINC000877329096 668602544 /nfs/dbraw/zinc/60/25/44/668602544.db2.gz QUPLEKNGSIWSCG-PBHICJAKSA-N 2 0 307.438 0.960 20 30 DCEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1C ZINC000947795415 670012968 /nfs/dbraw/zinc/01/29/68/670012968.db2.gz CJDSAACFEOMMTM-HOCLYGCPSA-N 2 0 317.437 0.661 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCO)[C@H](C)C2)CC1 ZINC000948070768 670053923 /nfs/dbraw/zinc/05/39/23/670053923.db2.gz SFFMKLLTUPOQPZ-WBVHZDCISA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036856470 670223522 /nfs/dbraw/zinc/22/35/22/670223522.db2.gz RVDWZHYGIYHCFY-WBVHZDCISA-N 2 0 319.449 0.653 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)CCO2 ZINC000949189332 670283633 /nfs/dbraw/zinc/28/36/33/670283633.db2.gz QFZZLSCFWWPHPF-HZPDHXFCSA-N 2 0 319.449 0.511 20 30 DCEDRP C#CCC[NH+]1CCC(NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000847514987 670567270 /nfs/dbraw/zinc/56/72/70/670567270.db2.gz KWOBASFTCGNEDP-UHFFFAOYSA-N 2 0 317.437 0.662 20 30 DCEDRP CC[NH+]1CCC(CNC(NCCN2CCOCC2)=[NH+]C)CC1 ZINC000848996130 670746712 /nfs/dbraw/zinc/74/67/12/670746712.db2.gz IPOFQOHIGNEICW-UHFFFAOYSA-N 2 0 311.474 0.216 20 30 DCEDRP CN1CC[NH+]=C1NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000849003134 670747918 /nfs/dbraw/zinc/74/79/18/670747918.db2.gz KDFRFBAJXWSSHJ-UHFFFAOYSA-N 2 0 317.441 0.270 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@H](C)NC(=O)C(=C)C[NH+](C)C ZINC000834376243 671757241 /nfs/dbraw/zinc/75/72/41/671757241.db2.gz NAKVJJDWPQDBSR-KBPBESRZSA-N 2 0 310.442 0.231 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000834494543 671765125 /nfs/dbraw/zinc/76/51/25/671765125.db2.gz NYDJBXFCHFZYPN-OAGGEKHMSA-N 2 0 313.405 0.521 20 30 DCEDRP [NH2+]=C(NCCCN1CCOCC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000303897696 685208616 /nfs/dbraw/zinc/20/86/16/685208616.db2.gz QUNCXYBRRQGRQD-AWEZNQCLSA-N 2 0 309.458 0.097 20 30 DCEDRP C[C@@H]1CCCN(C(=[NH2+])NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000303979175 685210047 /nfs/dbraw/zinc/21/00/47/685210047.db2.gz MUEYEPMZAXIRLA-HUUCEWRRSA-N 2 0 323.485 0.976 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCNC(=O)C1CCC1 ZINC000304690414 685211088 /nfs/dbraw/zinc/21/10/88/685211088.db2.gz HCCZSUGQFYRXGI-CQSZACIVSA-N 2 0 309.458 0.681 20 30 DCEDRP C=CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958219010 687450141 /nfs/dbraw/zinc/45/01/41/687450141.db2.gz GXRQVTXVCYGFGH-HIFRSBDPSA-N 2 0 300.362 0.543 20 30 DCEDRP CC#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC000958344427 687562639 /nfs/dbraw/zinc/56/26/39/687562639.db2.gz HLGDLNMCULLROT-LSDHHAIUSA-N 2 0 319.405 0.387 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCC)C[C@H]2O)CC1 ZINC000958724133 687876441 /nfs/dbraw/zinc/87/64/41/687876441.db2.gz LWUNNILNZWTRIG-HZPDHXFCSA-N 2 0 307.438 0.151 20 30 DCEDRP C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000958729253 687882656 /nfs/dbraw/zinc/88/26/56/687882656.db2.gz TUKUTQDVDMGNMG-DOTOQJQBSA-N 2 0 315.417 0.404 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@H](C)OC)C2)CC1 ZINC001016335599 692655650 /nfs/dbraw/zinc/65/56/50/692655650.db2.gz FEDPZPYGXBJKPW-GOEBONIOSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001073433817 694726413 /nfs/dbraw/zinc/72/64/13/694726413.db2.gz OXBOICWHONZRIE-MRXNPFEDSA-N 2 0 319.449 0.512 20 30 DCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001072741084 694659301 /nfs/dbraw/zinc/65/93/01/694659301.db2.gz WYIKTAFALROYGX-INIZCTEOSA-N 2 0 301.434 0.886 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001073605151 694750134 /nfs/dbraw/zinc/75/01/34/694750134.db2.gz BTMHCLUEBSHHLT-DLBZAZTESA-N 2 0 319.449 0.559 20 30 DCEDRP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001073605258 694750529 /nfs/dbraw/zinc/75/05/29/694750529.db2.gz GFJGERKKTGIQRE-SJORKVTESA-N 2 0 319.449 0.559 20 30 DCEDRP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001073605452 694750567 /nfs/dbraw/zinc/75/05/67/694750567.db2.gz KZNMNVAMQWAFOU-JKSUJKDBSA-N 2 0 307.438 0.721 20 30 DCEDRP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075798997 694977511 /nfs/dbraw/zinc/97/75/11/694977511.db2.gz XTGBCIFEEQPPTO-GVDBMIGSSA-N 2 0 301.434 0.884 20 30 DCEDRP CC#CC[NH+]1CCC(CO)(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001570499152 1162531618 /nfs/dbraw/zinc/53/16/18/1162531618.db2.gz GCVSRUHMYLHFTQ-UHFFFAOYSA-N 2 0 321.465 0.829 20 30 DCEDRP C#CCC[N@H+](C)CCOCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001571340776 1162709110 /nfs/dbraw/zinc/70/91/10/1162709110.db2.gz CUUKGGUYENIEJA-MRXNPFEDSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001571492133 1162782241 /nfs/dbraw/zinc/78/22/41/1162782241.db2.gz ZZSRCHRHAJZIRM-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001571594117 1162837041 /nfs/dbraw/zinc/83/70/41/1162837041.db2.gz TYIMGQUMLSCCIK-MRXNPFEDSA-N 2 0 309.454 0.703 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001266717043 1157534720 /nfs/dbraw/zinc/53/47/20/1157534720.db2.gz UPTAPTJOIKUIFB-GASCZTMLSA-N 2 0 303.410 0.318 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001691184126 1157609016 /nfs/dbraw/zinc/60/90/16/1157609016.db2.gz AUTPPPWFSOGAPA-QAQDUYKDSA-N 2 0 321.465 0.997 20 30 DCEDRP CC#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H](CC)[NH+](C)C)n1 ZINC001691424355 1157671122 /nfs/dbraw/zinc/67/11/22/1157671122.db2.gz JKKVIRCYSCSXDJ-CYBMUJFWSA-N 2 0 319.409 0.252 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CCCOC)CC1 ZINC001725523601 1157750960 /nfs/dbraw/zinc/75/09/60/1157750960.db2.gz MGAJOXWJOPIEMT-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001755152693 1157961718 /nfs/dbraw/zinc/96/17/18/1157961718.db2.gz LFAWXEFHESRZEO-OAHLLOKOSA-N 2 0 307.438 0.295 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]2[C@H](CC[NH+]2CC#CCOC)C1 ZINC001753875153 1158079509 /nfs/dbraw/zinc/07/95/09/1158079509.db2.gz FZFQLWSASZGEFH-SJORKVTESA-N 2 0 321.465 0.901 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1OCC ZINC001691774551 1158222798 /nfs/dbraw/zinc/22/27/98/1158222798.db2.gz YTYGSCUDAVJOLX-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H](CC)[NH+](C)C)C1=O ZINC001691558157 1158338131 /nfs/dbraw/zinc/33/81/31/1158338131.db2.gz DHCWNQCHGYRKDX-ZIAGYGMSSA-N 2 0 310.442 0.162 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001566768288 1159849249 /nfs/dbraw/zinc/84/92/49/1159849249.db2.gz HIYYWOHXETWBDL-DLBZAZTESA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001566896125 1160178792 /nfs/dbraw/zinc/17/87/92/1160178792.db2.gz WQCNGJQYIYRPMQ-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)C1=O ZINC001567106109 1160242635 /nfs/dbraw/zinc/24/26/35/1160242635.db2.gz RBCRABUZMOJNDR-GJZGRUSLSA-N 2 0 322.453 0.306 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001567494718 1160395218 /nfs/dbraw/zinc/39/52/18/1160395218.db2.gz MEGFQCNXUZZUFV-LSDHHAIUSA-N 2 0 322.453 0.045 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001568278009 1160619340 /nfs/dbraw/zinc/61/93/40/1160619340.db2.gz LJTFOSYIHILUDT-KGLIPLIRSA-N 2 0 322.453 0.045 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001568646153 1160721137 /nfs/dbraw/zinc/72/11/37/1160721137.db2.gz NNZIAWNTEINGEO-KGLIPLIRSA-N 2 0 310.442 0.257 20 30 DCEDRP COCC#CC[NH2+]C/C=C/CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001568969971 1160904435 /nfs/dbraw/zinc/90/44/35/1160904435.db2.gz RTGBYAFJLROGNT-FZZYSBJUSA-N 2 0 307.438 0.771 20 30 DCEDRP COCC#CC[NH2+]C/C=C\CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001568969973 1160904760 /nfs/dbraw/zinc/90/47/60/1160904760.db2.gz RTGBYAFJLROGNT-RLPXRCBWSA-N 2 0 307.438 0.771 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001569662546 1161187999 /nfs/dbraw/zinc/18/79/99/1161187999.db2.gz VUAQHVWFNNDVAD-WMLDXEAASA-N 2 0 322.453 0.211 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001570187393 1161484085 /nfs/dbraw/zinc/48/40/85/1161484085.db2.gz LJGZSABJAGANQN-MRXNPFEDSA-N 2 0 307.438 0.703 20 30 DCEDRP C=C(C)CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001570294554 1161550765 /nfs/dbraw/zinc/55/07/65/1161550765.db2.gz WOXSOPBRMGXWLS-DOTOQJQBSA-N 2 0 309.454 0.847 20 30 DCEDRP C[NH+](C)C[C@@]1(O)CCCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC001578412347 1165005010 /nfs/dbraw/zinc/00/50/10/1165005010.db2.gz LTGQENIYTXOYGL-CPBWPMLKSA-N 2 0 320.437 0.041 20 30 DCEDRP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@]23C[C@@H]2C[C@@H]([NH3+])C3)c1C#N 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0.211 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001662919409 1174251925 /nfs/dbraw/zinc/25/19/25/1174251925.db2.gz UOAVZKKDUCBQBG-HUUCEWRRSA-N 2 0 322.453 0.093 20 30 DCEDRP C=CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001664760262 1174455570 /nfs/dbraw/zinc/45/55/70/1174455570.db2.gz OYLFULPXLPVELT-HNNXBMFYSA-N 2 0 322.453 0.213 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001664850054 1174465930 /nfs/dbraw/zinc/46/59/30/1174465930.db2.gz WJCNBQILTIBYII-DLBZAZTESA-N 2 0 321.465 0.758 20 30 DCEDRP C=C(C)CC[NH2+]CCN(CCO)C(=O)C12CCC[NH+]1CCC2 ZINC001672640568 1175136739 /nfs/dbraw/zinc/13/67/39/1175136739.db2.gz AFJJDHJLDLYKET-UHFFFAOYSA-N 2 0 309.454 0.992 20 30 DCEDRP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001673397242 1175200667 /nfs/dbraw/zinc/20/06/67/1175200667.db2.gz PRVCRVHCOKSTKD-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001676079407 1175417990 /nfs/dbraw/zinc/41/79/90/1175417990.db2.gz PFDRQRWZZYZMSF-HNNXBMFYSA-N 2 0 307.438 0.511 20 30 DCEDRP C=CCC[NH2+][C@@H](CO)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001676584215 1175463652 /nfs/dbraw/zinc/46/36/52/1175463652.db2.gz QZWPLKLBEIOKHM-CZUORRHYSA-N 2 0 315.433 0.842 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC001676929716 1175504529 /nfs/dbraw/zinc/50/45/29/1175504529.db2.gz CTASKJQBQYMJJF-HNNXBMFYSA-N 2 0 310.442 0.304 20 30 DCEDRP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001689203803 1176739330 /nfs/dbraw/zinc/73/93/30/1176739330.db2.gz BRECOZDIVPNGGU-IAGOWNOFSA-N 2 0 321.465 0.779 20 30 DCEDRP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)CCC[NH+](C)C)C2)CC1 ZINC001699776629 1178284890 /nfs/dbraw/zinc/28/48/90/1178284890.db2.gz STACWYCJEAQTIT-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001700044689 1178458962 /nfs/dbraw/zinc/45/89/62/1178458962.db2.gz SWLXMFHILYTTRL-MRXNPFEDSA-N 2 0 309.454 0.541 20 30 DCEDRP C=CCOCC[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001700546234 1178654292 /nfs/dbraw/zinc/65/42/92/1178654292.db2.gz OSWVQCFONVQJQG-GJZGRUSLSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001700753039 1178731471 /nfs/dbraw/zinc/73/14/71/1178731471.db2.gz SIGSJDNTJOCSSU-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001700788780 1178744187 /nfs/dbraw/zinc/74/41/87/1178744187.db2.gz APGYBXFVFSPDFI-CABCVRRESA-N 2 0 307.438 0.341 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001701029328 1178884406 /nfs/dbraw/zinc/88/44/06/1178884406.db2.gz JDFGXPIFBGHFQO-WLYUNCDWSA-N 2 0 322.453 0.352 20 30 DCEDRP C=CCOCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001707266344 1180453534 /nfs/dbraw/zinc/45/35/34/1180453534.db2.gz ZDGZUBCZRKCEFX-CABCVRRESA-N 2 0 307.438 0.864 20 30 DCEDRP C#CC[NH2+][C@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001713115151 1180687560 /nfs/dbraw/zinc/68/75/60/1180687560.db2.gz FWKPGTQYCJUALT-MRXNPFEDSA-N 2 0 309.373 0.999 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001713220437 1180726726 /nfs/dbraw/zinc/72/67/26/1180726726.db2.gz LCCGUMLMISMWMS-IRXDYDNUSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]C[C@H](C)O)C2)CC1 ZINC001713364064 1180786120 /nfs/dbraw/zinc/78/61/20/1180786120.db2.gz HOWTUOBQVNNSMH-LSDHHAIUSA-N 2 0 307.438 0.151 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713536313 1180908219 /nfs/dbraw/zinc/90/82/19/1180908219.db2.gz VJXSYGYCSKOKQF-OAHLLOKOSA-N 2 0 307.438 0.416 20 30 DCEDRP CCC[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001713737865 1181035845 /nfs/dbraw/zinc/03/58/45/1181035845.db2.gz NYDGMMAQPQFPPO-MRXNPFEDSA-N 2 0 309.454 0.806 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001714542152 1181407774 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310.442 0.208 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001716850882 1182549081 /nfs/dbraw/zinc/54/90/81/1182549081.db2.gz IFZOEPHRPPUKQN-QGZVFWFLSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001716861035 1182552469 /nfs/dbraw/zinc/55/24/69/1182552469.db2.gz VYROPEUUHOBCKC-RDJZCZTQSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001717125333 1182683984 /nfs/dbraw/zinc/68/39/84/1182683984.db2.gz IHLBNFUZKHKKIN-BRWVUGGUSA-N 2 0 321.465 0.853 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001717415749 1182826818 /nfs/dbraw/zinc/82/68/18/1182826818.db2.gz LIFDFXULJQYJOO-UONOGXRCSA-N 2 0 322.453 0.400 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+][C@@H](CC)C(N)=O)CC1 ZINC001717758654 1182980382 /nfs/dbraw/zinc/98/03/82/1182980382.db2.gz ZEUSLGRLOTULLZ-ZFWWWQNUSA-N 2 0 322.453 0.032 20 30 DCEDRP 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20 30 DCEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653272 757214809 /nfs/dbraw/zinc/21/48/09/757214809.db2.gz CRXXRRVCPZXJJB-HCBPCCMXSA-N 2 0 319.449 0.862 20 30 DCEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090393954 757392233 /nfs/dbraw/zinc/39/22/33/757392233.db2.gz RXUOVUFXLIQTNU-GJZGRUSLSA-N 2 0 305.422 0.190 20 30 DCEDRP C#CCC[NH+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001083110583 757470583 /nfs/dbraw/zinc/47/05/83/757470583.db2.gz KTTRQDSVCNUTGC-IXDOHACOSA-N 2 0 319.449 0.796 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084349739 757797080 /nfs/dbraw/zinc/79/70/80/757797080.db2.gz YRXOGAZJNQIFCW-BRWVUGGUSA-N 2 0 301.434 0.884 20 30 DCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)CC1 ZINC001050755494 758029287 /nfs/dbraw/zinc/02/92/87/758029287.db2.gz CVKMUAXHIWATIN-INIZCTEOSA-N 2 0 319.449 0.512 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731616 759245361 /nfs/dbraw/zinc/24/53/61/759245361.db2.gz GKDUZQIKPKQICB-GARNVTTQSA-N 2 0 317.433 0.406 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001098405993 759697445 /nfs/dbraw/zinc/69/74/45/759697445.db2.gz ALJWZDXBKCYDCH-QGZVFWFLSA-N 2 0 321.465 0.779 20 30 DCEDRP C=CCOCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001148292887 767960263 /nfs/dbraw/zinc/96/02/63/767960263.db2.gz YXTWZAVXJPIAAT-CVEARBPZSA-N 2 0 321.465 0.921 20 30 DCEDRP C=CCOCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100131770 761517742 /nfs/dbraw/zinc/51/77/42/761517742.db2.gz ILDRZEKDAKSOGL-LSDHHAIUSA-N 2 0 313.442 0.081 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CC[N@H+](C)C1)C[C@@H](C)O2 ZINC001098662957 762705867 /nfs/dbraw/zinc/70/58/67/762705867.db2.gz RETOSUDHKGICQY-CVEARBPZSA-N 2 0 319.449 0.653 20 30 DCEDRP C=CCNCc1cn([C@H]2CCN(C(=O)C[N@@H+](C)CCC)C2)nn1 ZINC001098774721 762729651 /nfs/dbraw/zinc/72/96/51/762729651.db2.gz SPGQGWWDHCIFQL-HNNXBMFYSA-N 2 0 320.441 0.669 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001099263602 762849778 /nfs/dbraw/zinc/84/97/78/762849778.db2.gz UUWNPLMXZMWTDM-UPJWGTAASA-N 2 0 317.355 0.939 20 30 DCEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)COCC[NH+](C)C)C1 ZINC001099547923 762896357 /nfs/dbraw/zinc/89/63/57/762896357.db2.gz NLIWHHBUGFYVOK-QAETUUGQSA-N 2 0 321.465 0.919 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129949306 763054848 /nfs/dbraw/zinc/05/48/48/763054848.db2.gz BBNGZPGDBUYACP-INIZCTEOSA-N 2 0 324.469 0.479 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](O)C1 ZINC001099938442 763142782 /nfs/dbraw/zinc/14/27/82/763142782.db2.gz WASNFCGTOLVUEP-JKSUJKDBSA-N 2 0 321.465 0.826 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC)C1=O ZINC001130424746 763295753 /nfs/dbraw/zinc/29/57/53/763295753.db2.gz ALCXHSOKAKYFJC-ZDUSSCGKSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001100407587 763557050 /nfs/dbraw/zinc/55/70/50/763557050.db2.gz BODCOHBGGSGDQJ-PXCJXSSVSA-N 2 0 322.453 0.113 20 30 DCEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001100605597 763678376 /nfs/dbraw/zinc/67/83/76/763678376.db2.gz KLQAFEAWEXMQHT-GPANFISMSA-N 2 0 307.438 0.603 20 30 DCEDRP CC#CC[NH2+]C1CC(CNC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001100686787 763724461 /nfs/dbraw/zinc/72/44/61/763724461.db2.gz RXVOJCLDHPTBJE-GTPINHCMSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001098479288 764523664 /nfs/dbraw/zinc/52/36/64/764523664.db2.gz ZPCBKEZHKYWBQW-ZBFHGGJFSA-N 2 0 309.454 0.655 20 30 DCEDRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC#CCOC)C[C@H]1C ZINC001102525356 764679690 /nfs/dbraw/zinc/67/96/90/764679690.db2.gz YEMZLSFZMTZDIH-HZPDHXFCSA-N 2 0 309.454 0.662 20 30 DCEDRP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578129 764710136 /nfs/dbraw/zinc/71/01/36/764710136.db2.gz MMKKSUDJWQUKSO-OWCLPIDISA-N 2 0 309.454 0.825 20 30 DCEDRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001133869729 765195790 /nfs/dbraw/zinc/19/57/90/765195790.db2.gz KERLUGCEZNAYTA-CJNGLKHVSA-N 2 0 300.406 0.962 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001104000232 765229266 /nfs/dbraw/zinc/22/92/66/765229266.db2.gz ZWLLGEQYZJOCFO-BRWVUGGUSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583479 765580357 /nfs/dbraw/zinc/58/03/57/765580357.db2.gz LFMZKOBJUXBOBU-ZIAGYGMSSA-N 2 0 324.469 0.646 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134606776 765599760 /nfs/dbraw/zinc/59/97/60/765599760.db2.gz ASJDFUIUDTWMJH-ZIAGYGMSSA-N 2 0 324.469 0.646 20 30 DCEDRP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)cc1C#N ZINC001124837230 768312536 /nfs/dbraw/zinc/31/25/36/768312536.db2.gz KUEXGTPXOGJYOD-HNNXBMFYSA-N 2 0 316.405 0.867 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090625291 766391110 /nfs/dbraw/zinc/39/11/10/766391110.db2.gz STENJQITZAIPCK-HOTGVXAUSA-N 2 0 307.438 0.293 20 30 DCEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCN(CC[NH3+])N(O)N=O ZINC001171195901 766962759 /nfs/dbraw/zinc/96/27/59/766962759.db2.gz WAKBYZIVXNCYJC-LBPRGKRZSA-N 2 0 306.370 0.627 20 30 DCEDRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001171205753 767004650 /nfs/dbraw/zinc/00/46/50/767004650.db2.gz WZXQRTNOWFGQKM-UHFFFAOYSA-N 2 0 317.433 0.712 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146591376 767484256 /nfs/dbraw/zinc/48/42/56/767484256.db2.gz GKTCRYYMOVKYLI-KGLIPLIRSA-N 2 0 312.458 0.502 20 30 DCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C1(C[NH3+])CC(O)C1)C(C)C ZINC001121991010 767691952 /nfs/dbraw/zinc/69/19/52/767691952.db2.gz KLIHXYBYXLHPCG-ISXOHVOVSA-N 2 0 309.454 0.901 20 30 DCEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)COCC[NH+](C)C)C2)C1 ZINC001122068622 767709572 /nfs/dbraw/zinc/70/95/72/767709572.db2.gz KFYLGWQVDJKRDJ-UHFFFAOYSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001092909308 768414277 /nfs/dbraw/zinc/41/42/77/768414277.db2.gz HFHBFCLJKFJCAS-BZUAXINKSA-N 2 0 309.454 0.966 20 30 DCEDRP C#CC[NH+]1CCC(CCOC)(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001151308770 769310311 /nfs/dbraw/zinc/31/03/11/769310311.db2.gz VBVVUFPZXRATTG-HNNXBMFYSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001151408410 769332702 /nfs/dbraw/zinc/33/27/02/769332702.db2.gz IYRAYJTXSUUDEH-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001234392534 769646040 /nfs/dbraw/zinc/64/60/40/769646040.db2.gz MEUKKHZQHGPYGR-RBSFLKMASA-N 2 0 322.453 0.162 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001175048949 769855261 /nfs/dbraw/zinc/85/52/61/769855261.db2.gz MQAUJBDJKZLHBG-LSDHHAIUSA-N 2 0 324.469 0.341 20 30 DCEDRP C#CCC[NH+]1CCCO[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001150588675 770097640 /nfs/dbraw/zinc/09/76/40/770097640.db2.gz QUFAGRDQECZOFA-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCC[NH+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001150588674 770097900 /nfs/dbraw/zinc/09/79/00/770097900.db2.gz QUFAGRDQECZOFA-HOTGVXAUSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176563345 770125977 /nfs/dbraw/zinc/12/59/77/770125977.db2.gz CRRSGJIWKDDMGG-HOTGVXAUSA-N 2 0 309.454 0.853 20 30 DCEDRP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176563344 770126049 /nfs/dbraw/zinc/12/60/49/770126049.db2.gz CRRSGJIWKDDMGG-CVEARBPZSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176565500 770127598 /nfs/dbraw/zinc/12/75/98/770127598.db2.gz VYEXSOHNNBCDDW-GJZGRUSLSA-N 2 0 324.469 0.505 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCOC2CCC2)CC1 ZINC001176926089 770225563 /nfs/dbraw/zinc/22/55/63/770225563.db2.gz GHMOAVQDMFZUFJ-UHFFFAOYSA-N 2 0 321.465 0.997 20 30 DCEDRP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409107 770806325 /nfs/dbraw/zinc/80/63/25/770806325.db2.gz CYPAQDPQDXWZBE-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]C[C@H](C)O)CC1 ZINC001180360827 771104433 /nfs/dbraw/zinc/10/44/33/771104433.db2.gz MWHUOZQDKVHZGO-INIZCTEOSA-N 2 0 323.481 0.979 20 30 DCEDRP N#Cc1ccc2c(c1)CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001157935515 771696756 /nfs/dbraw/zinc/69/67/56/771696756.db2.gz DAHFOOIZYJBEBX-AWEZNQCLSA-N 2 0 304.419 0.462 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158029836 771715439 /nfs/dbraw/zinc/71/54/39/771715439.db2.gz LKOAKOXUWVQIRE-LSDHHAIUSA-N 2 0 322.453 0.259 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001184291971 771774348 /nfs/dbraw/zinc/77/43/48/771774348.db2.gz DYVBUZCCXTUUOQ-OAHLLOKOSA-N 2 0 312.373 0.788 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001185382390 771909236 /nfs/dbraw/zinc/90/92/36/771909236.db2.gz ZYLSJENIGUITIZ-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCO)[C@H](C)C2)CC1 ZINC001185731967 771951278 /nfs/dbraw/zinc/95/12/78/771951278.db2.gz WQKHOIBJSPIOAU-WBVHZDCISA-N 2 0 321.465 0.398 20 30 DCEDRP CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159788084 771958273 /nfs/dbraw/zinc/95/82/73/771958273.db2.gz GTHDGSSLCLHXGS-GHMZBOCLSA-N 2 0 320.397 0.861 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1=O ZINC001159932753 771980235 /nfs/dbraw/zinc/98/02/35/771980235.db2.gz USLHPXRUYDDGTG-HUUCEWRRSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CC[NH2+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001186146528 772012690 /nfs/dbraw/zinc/01/26/90/772012690.db2.gz LGPJURHPIXUBHR-SJLPKXTDSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001160273429 772018157 /nfs/dbraw/zinc/01/81/57/772018157.db2.gz MLRGZGUECOACAI-LSDHHAIUSA-N 2 0 324.469 0.647 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC12CCOCC2 ZINC001186553962 772053719 /nfs/dbraw/zinc/05/37/19/772053719.db2.gz YUTPAHRRRUBNIN-JKSUJKDBSA-N 2 0 319.449 0.416 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001161649698 772259633 /nfs/dbraw/zinc/25/96/33/772259633.db2.gz SHQUFNNPYXREHW-OAHLLOKOSA-N 2 0 324.469 0.505 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1=O ZINC001188158347 772277183 /nfs/dbraw/zinc/27/71/83/772277183.db2.gz LLXFVOAFKVHOMW-HUUCEWRRSA-N 2 0 322.453 0.304 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001190776921 772677288 /nfs/dbraw/zinc/67/72/88/772677288.db2.gz RBIDHLRWSNBOJW-HOTGVXAUSA-N 2 0 309.454 0.755 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192948012 772977135 /nfs/dbraw/zinc/97/71/35/772977135.db2.gz NKXZPSWROHKCJD-LSDHHAIUSA-N 2 0 324.469 0.552 20 30 DCEDRP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001193893023 773125725 /nfs/dbraw/zinc/12/57/25/773125725.db2.gz XGXJJBYKGVJLOW-ARFHVFGLSA-N 2 0 309.454 0.988 20 30 DCEDRP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001194321194 773174474 /nfs/dbraw/zinc/17/44/74/773174474.db2.gz MMKHICKHRCKYEU-HZPDHXFCSA-N 2 0 321.465 0.824 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001208423744 773457748 /nfs/dbraw/zinc/45/77/48/773457748.db2.gz OJWIQFZFJNSMFP-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CC#CCOC)C1 ZINC001208453123 773465855 /nfs/dbraw/zinc/46/58/55/773465855.db2.gz BAMHGQYWMQIVAJ-HNNXBMFYSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001208707960 773516902 /nfs/dbraw/zinc/51/69/02/773516902.db2.gz NYMFWDCHZAEUJI-BZUAXINKSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001210060831 773672062 /nfs/dbraw/zinc/67/20/62/773672062.db2.gz KBZGUQJMIYVVJD-MRXNPFEDSA-N 2 0 317.437 0.662 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210492933 773714271 /nfs/dbraw/zinc/71/42/71/773714271.db2.gz GIFTYRFPHCVCRZ-GJZGRUSLSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@H]2CCCOC2)CC1 ZINC001152334568 773739773 /nfs/dbraw/zinc/73/97/73/773739773.db2.gz IESVNLAKCLSBPI-OAHLLOKOSA-N 2 0 307.438 0.464 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001214904747 774024507 /nfs/dbraw/zinc/02/45/07/774024507.db2.gz ICYURLYGRKCMML-OAGGEKHMSA-N 2 0 309.454 0.659 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216757582 774134205 /nfs/dbraw/zinc/13/42/05/774134205.db2.gz DIBXGXRHBOEVHL-QLFBSQMISA-N 2 0 322.453 0.209 20 30 DCEDRP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC001218552062 774244736 /nfs/dbraw/zinc/24/47/36/774244736.db2.gz BSFFUVHVZXURLT-SNVBAGLBSA-N 2 0 322.390 0.484 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200529687 774362825 /nfs/dbraw/zinc/36/28/25/774362825.db2.gz XCOJEJRJHFZUPB-DLBZAZTESA-N 2 0 319.449 0.559 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200549227 774365955 /nfs/dbraw/zinc/36/59/55/774365955.db2.gz ZVUXPGGCHHDMKA-OWCLPIDISA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)CCCO1 ZINC001200636320 774382212 /nfs/dbraw/zinc/38/22/12/774382212.db2.gz YAFUYRBFJKNZGI-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)C1 ZINC001219645200 774571121 /nfs/dbraw/zinc/57/11/21/774571121.db2.gz JGIQWPWHGVCNOT-WWGRRREGSA-N 2 0 300.406 0.790 20 30 DCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219769456 774602516 /nfs/dbraw/zinc/60/25/16/774602516.db2.gz XDYVEXWRUBWIQS-GOEBONIOSA-N 2 0 304.369 0.636 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(CC)CCO2)CCCO1 ZINC001202116132 774603476 /nfs/dbraw/zinc/60/34/76/774603476.db2.gz SNYWZEBEGOTFII-HUUCEWRRSA-N 2 0 311.426 0.100 20 30 DCEDRP COCC#CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001202179422 774611490 /nfs/dbraw/zinc/61/14/90/774611490.db2.gz VCMVUCSVKMPDKF-HOTGVXAUSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001202496522 774728209 /nfs/dbraw/zinc/72/82/09/774728209.db2.gz ULVQNSFWQPCSPU-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[C@]1(C(=O)N2CCC(C3=CC=C(N)C[NH2+]3)CC2)CCC[NH2+]1 ZINC001221392358 775083572 /nfs/dbraw/zinc/08/35/72/775083572.db2.gz LFTXHLJRIKJTRW-GOSISDBHSA-N 2 0 314.433 0.700 20 30 DCEDRP C#CCCC1(CCNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)N=N1 ZINC001221409001 775092012 /nfs/dbraw/zinc/09/20/12/775092012.db2.gz LRJXTEDENMFFRS-CYBMUJFWSA-N 2 0 303.410 0.942 20 30 DCEDRP COCC#CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001227986664 776034706 /nfs/dbraw/zinc/03/47/06/776034706.db2.gz IUSHEXZLWPFXNP-MRXNPFEDSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228254782 776059864 /nfs/dbraw/zinc/05/98/64/776059864.db2.gz IJJVYUPYWOGEPY-HUUCEWRRSA-N 2 0 322.453 0.095 20 30 DCEDRP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001041835879 777530730 /nfs/dbraw/zinc/53/07/30/777530730.db2.gz XHQWKGUQWWBLHS-FUHWJXTLSA-N 2 0 319.449 0.512 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317780267 945186369 /nfs/dbraw/zinc/18/63/69/945186369.db2.gz UGJUVTVXENFALX-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCN1CC[NH+](CCCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001266263256 939035215 /nfs/dbraw/zinc/03/52/15/939035215.db2.gz ZLLGGMNETWOJTN-KRWDZBQOSA-N 2 0 320.481 0.638 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001266546332 939158841 /nfs/dbraw/zinc/15/88/41/939158841.db2.gz TXJXWOYHQOCYBN-CABCVRRESA-N 2 0 322.453 0.069 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001266797635 939239398 /nfs/dbraw/zinc/23/93/98/939239398.db2.gz DOTMYHAFVPWCIU-AWEZNQCLSA-N 2 0 322.453 0.047 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC#CCOC ZINC001267154812 939361908 /nfs/dbraw/zinc/36/19/08/939361908.db2.gz LEIDXBYQMRMMRQ-HOTGVXAUSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C)C1=O ZINC001267474272 939470625 /nfs/dbraw/zinc/47/06/25/939470625.db2.gz OJYLOWSXOKSLBF-CQSZACIVSA-N 2 0 310.442 0.162 20 30 DCEDRP C=CCNC(=O)[C@H](C)N(CC)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001480965029 939504098 /nfs/dbraw/zinc/50/40/98/939504098.db2.gz JXLAHOLZNRAYHP-UONOGXRCSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267808991 939686880 /nfs/dbraw/zinc/68/68/80/939686880.db2.gz CLTQNYJSXWCTRR-KBPBESRZSA-N 2 0 310.442 0.257 20 30 DCEDRP C#CCC[NH2+]C[C@](C)(NC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001267862523 939696507 /nfs/dbraw/zinc/69/65/07/939696507.db2.gz ORLSSNKBUOBTRN-SFHVURJKSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001481506791 939906578 /nfs/dbraw/zinc/90/65/78/939906578.db2.gz KWAPCLYTSHTVDW-HOTGVXAUSA-N 2 0 307.438 0.368 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC#CCOC)[C@H](C)C1 ZINC001268141674 939957374 /nfs/dbraw/zinc/95/73/74/939957374.db2.gz MPXLVNPLRHBJAT-CVEARBPZSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCO)[C@@H](C)C2)CC1 ZINC001268142907 939958218 /nfs/dbraw/zinc/95/82/18/939958218.db2.gz SBSSBNKRAGPSPL-DOTOQJQBSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCO)CC1 ZINC001268293381 940026652 /nfs/dbraw/zinc/02/66/52/940026652.db2.gz BKWKFKUHRAATBP-JKSUJKDBSA-N 2 0 307.438 0.198 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1C ZINC001279114201 940421206 /nfs/dbraw/zinc/42/12/06/940421206.db2.gz QKGRHLLLBAHPEB-HOTGVXAUSA-N 2 0 321.465 0.662 20 30 DCEDRP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001271152195 941292017 /nfs/dbraw/zinc/29/20/17/941292017.db2.gz KFEQIQCCEKAMEX-RDJZCZTQSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CCC[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001271175457 941313287 /nfs/dbraw/zinc/31/32/87/941313287.db2.gz PBFTXBPYJMWCNX-KRWDZBQOSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001271201597 941320639 /nfs/dbraw/zinc/32/06/39/941320639.db2.gz SYKQWKZNVZGWLX-DOTOQJQBSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001271229814 941329947 /nfs/dbraw/zinc/32/99/47/941329947.db2.gz XHFAJURFRZLXKM-WMZOPIPTSA-N 2 0 321.465 0.683 20 30 DCEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001271954213 941490472 /nfs/dbraw/zinc/49/04/72/941490472.db2.gz SDORMDLXQIHOAA-DLBZAZTESA-N 2 0 320.481 0.733 20 30 DCEDRP C#CCC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001271956064 941491616 /nfs/dbraw/zinc/49/16/16/941491616.db2.gz ATSUAJYEFAISHC-AEFFLSMTSA-N 2 0 321.465 0.826 20 30 DCEDRP CC#CCN1CCC[C@](CO)(NC(=O)Cn2cncc2C)C1 ZINC001271973594 941496464 /nfs/dbraw/zinc/49/64/64/941496464.db2.gz LXEKMKXHLRYYNE-INIZCTEOSA-N 2 0 304.394 0.158 20 30 DCEDRP C=CC[NH2+]CCN(CCO)C(=O)c1ccc2c[nH+]cn2c1C ZINC001272201836 941807509 /nfs/dbraw/zinc/80/75/09/941807509.db2.gz HBJXXIRTGWHLKM-UHFFFAOYSA-N 2 0 302.378 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+][C@H](C)COC)C2CC2)CC1 ZINC001483609278 942461919 /nfs/dbraw/zinc/46/19/19/942461919.db2.gz ZEXRRQXJRAOAHC-PBHICJAKSA-N 2 0 321.465 0.851 20 30 DCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001272381139 942726418 /nfs/dbraw/zinc/72/64/18/942726418.db2.gz QJQVSERFKXAXGB-IAGOWNOFSA-N 2 0 315.417 0.199 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCO)C[C@@H]2C)CC1 ZINC001483913058 943020654 /nfs/dbraw/zinc/02/06/54/943020654.db2.gz FDJIROLKIODMGN-RDJZCZTQSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CC#CC)CC1 ZINC001483958420 943047646 /nfs/dbraw/zinc/04/76/46/943047646.db2.gz HWFDJAITNWNTNN-QGZVFWFLSA-N 2 0 301.434 0.936 20 30 DCEDRP C=CC[N@H+]1CCC[C@](CO)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001484450472 943395142 /nfs/dbraw/zinc/39/51/42/943395142.db2.gz NZGHKORTHQACSA-KRWDZBQOSA-N 2 0 309.454 0.992 20 30 DCEDRP C=C(Cl)C[NH2+]CCN(CCO)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001484483307 943419641 /nfs/dbraw/zinc/41/96/41/943419641.db2.gz IPGHPVVBRJYQMN-UONOGXRCSA-N 2 0 317.861 0.880 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CCO1 ZINC001484683908 943515688 /nfs/dbraw/zinc/51/56/88/943515688.db2.gz LFULNTYFSUGWEK-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001484697749 943528660 /nfs/dbraw/zinc/52/86/60/943528660.db2.gz XRUHMGVZMTZEJL-OAHLLOKOSA-N 2 0 323.437 0.102 20 30 DCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001484854759 943602302 /nfs/dbraw/zinc/60/23/02/943602302.db2.gz WVMVZYIALRZTBS-QGZVFWFLSA-N 2 0 309.454 0.992 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001484958010 943637881 /nfs/dbraw/zinc/63/78/81/943637881.db2.gz HFVSNHWLXXWYFH-UHFFFAOYSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CCNC(=O)CN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001485066184 943675583 /nfs/dbraw/zinc/67/55/83/943675583.db2.gz UOSJZSNHBCEATP-LSDHHAIUSA-N 2 0 322.453 0.306 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001485179894 943736470 /nfs/dbraw/zinc/73/64/70/943736470.db2.gz KKFRJFYQVNZGNB-KBPBESRZSA-N 2 0 324.469 0.646 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001491110126 943762760 /nfs/dbraw/zinc/76/27/60/943762760.db2.gz FEBVRZSFQVRVMN-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001485247722 943775724 /nfs/dbraw/zinc/77/57/24/943775724.db2.gz YPYXVXXFUHLWCT-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001491235619 943854633 /nfs/dbraw/zinc/85/46/33/943854633.db2.gz FBEXJWRMJWBGHV-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP CC[C@H](C(=O)NC1CCC([NH2+]CC#CCOC)CC1)[NH+](C)C ZINC001491356056 943936274 /nfs/dbraw/zinc/93/62/74/943936274.db2.gz LLFHXIOOZIYJAO-UYSNPLJNSA-N 2 0 309.454 0.993 20 30 DCEDRP COCC#CC[NH2+]C1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001491370894 943945143 /nfs/dbraw/zinc/94/51/43/943945143.db2.gz GCUURTZIGXFCIF-KLAILNCOSA-N 2 0 321.465 0.995 20 30 DCEDRP CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001485644299 944061189 /nfs/dbraw/zinc/06/11/89/944061189.db2.gz OVRSYTYMQHOXAV-GOEBONIOSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001485705674 944085961 /nfs/dbraw/zinc/08/59/61/944085961.db2.gz JDPUAKQPBAZHSY-KKUMJFAQSA-N 2 0 322.453 0.257 20 30 DCEDRP C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001486027914 944508262 /nfs/dbraw/zinc/50/82/62/944508262.db2.gz QDSRZZYQSALSTC-HOCLYGCPSA-N 2 0 307.438 0.483 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCOC)[C@H]2C)CC1 ZINC001486096964 944555270 /nfs/dbraw/zinc/55/52/70/944555270.db2.gz SRTPAUPWWWIHMR-ZBFHGGJFSA-N 2 0 307.438 0.557 20 30 DCEDRP CC#CCN1CCN(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001316964716 944690612 /nfs/dbraw/zinc/69/06/12/944690612.db2.gz HOHMTNGUAGJUMW-KRWDZBQOSA-N 2 0 320.481 0.618 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317117251 944805472 /nfs/dbraw/zinc/80/54/72/944805472.db2.gz GDMQGNFZTGPQPU-YIYPIFLZSA-N 2 0 308.426 0.008 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCOCC[N@@H+](C)CC#CC)CC1 ZINC001277542084 944869760 /nfs/dbraw/zinc/86/97/60/944869760.db2.gz NQJZYTWQCAXFLO-UHFFFAOYSA-N 2 0 319.449 0.420 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@@H](C)CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001317266613 944888592 /nfs/dbraw/zinc/88/85/92/944888592.db2.gz SQYDFAJSVAOYJY-ZFWWWQNUSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001318974570 945472960 /nfs/dbraw/zinc/47/29/60/945472960.db2.gz FCDDANIAUOSWAX-KKUMJFAQSA-N 2 0 322.453 0.093 20 30 DCEDRP C#CCC[NH2+]C[C@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001319208701 945523049 /nfs/dbraw/zinc/52/30/49/945523049.db2.gz LZFIFJCITLAINI-HNNXBMFYSA-N 2 0 309.454 0.710 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001278599795 945675760 /nfs/dbraw/zinc/67/57/60/945675760.db2.gz BSKYCJIOAMTPLM-HOTGVXAUSA-N 2 0 307.438 0.607 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001320451264 945884223 /nfs/dbraw/zinc/88/42/23/945884223.db2.gz WFEQWHQEIPKXTG-HZPDHXFCSA-N 2 0 309.454 0.995 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)CCCC[NH+](C)C)CCOCC1 ZINC001278728581 946127418 /nfs/dbraw/zinc/12/74/18/946127418.db2.gz RAZVABBVPGIKJL-UHFFFAOYSA-N 2 0 309.454 0.997 20 30 DCEDRP C=C[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001253576506 946131471 /nfs/dbraw/zinc/13/14/71/946131471.db2.gz FOJZOUINHLIKLA-BRWVUGGUSA-N 2 0 321.465 0.940 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001411049401 947270760 /nfs/dbraw/zinc/27/07/60/947270760.db2.gz WXTCKYJVRWDVEI-GFCCVEGCSA-N 2 0 303.834 0.632 20 30 DCEDRP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001325109701 947659176 /nfs/dbraw/zinc/65/91/76/947659176.db2.gz GSDCLDSQPBYXHE-WMZOPIPTSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CCN1C(=O)C[C@H]([N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)C1=O ZINC001262379721 947666008 /nfs/dbraw/zinc/66/60/08/947666008.db2.gz JYOCAZYRMVKKKR-AJNGGQMLSA-N 2 0 303.406 0.409 20 30 DCEDRP C=C(C)CN1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001325232362 947720981 /nfs/dbraw/zinc/72/09/81/947720981.db2.gz IBTKEJATVGQIOK-HNNXBMFYSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CC[NH2+]CC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001263098201 947808943 /nfs/dbraw/zinc/80/89/43/947808943.db2.gz VTCYWZMJFYWHFC-IYBDPMFKSA-N 2 0 306.454 0.226 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179485850 947852083 /nfs/dbraw/zinc/85/20/83/947852083.db2.gz BKTWUEBKDZADEZ-IHRRRGAJSA-N 2 0 310.442 0.208 20 30 DCEDRP C#CCC[NH2+]C1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001325783784 947922486 /nfs/dbraw/zinc/92/24/86/947922486.db2.gz HMDDRJQRTRDABT-MRXNPFEDSA-N 2 0 306.454 0.274 20 30 DCEDRP C=CCNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001273496063 947925494 /nfs/dbraw/zinc/92/54/94/947925494.db2.gz SDYLAPOJQBAHNA-CQSZACIVSA-N 2 0 310.442 0.163 20 30 DCEDRP C=CCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001325836687 947943874 /nfs/dbraw/zinc/94/38/74/947943874.db2.gz UOHFWIASVUHRKC-INMHGKMJSA-N 2 0 309.454 0.846 20 30 DCEDRP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001327602885 948566526 /nfs/dbraw/zinc/56/65/26/948566526.db2.gz IPAOMGUYTKQSGU-WBVHZDCISA-N 2 0 309.454 0.847 20 30 DCEDRP C=CCN1CC[C@@]2(CCCN2C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001273863720 948640585 /nfs/dbraw/zinc/64/05/85/948640585.db2.gz MTZLCLMYNZAVQU-PBHICJAKSA-N 2 0 309.454 0.988 20 30 DCEDRP COCC#CC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001329500683 949641126 /nfs/dbraw/zinc/64/11/26/949641126.db2.gz KYYJXPXYCIFSBZ-OAHLLOKOSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CCN1CCO[C@@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001330159370 950156788 /nfs/dbraw/zinc/15/67/88/950156788.db2.gz FXUXQOFKDRACOG-KRWDZBQOSA-N 2 0 307.438 0.655 20 30 DCEDRP C=CC[NH2+]C1CCN(CCNC(=O)CCc2cncn2C)CC1 ZINC001279454276 950578127 /nfs/dbraw/zinc/57/81/27/950578127.db2.gz ZVBSQQXBDYQSPN-UHFFFAOYSA-N 2 0 319.453 0.709 20 30 DCEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001280584867 950968430 /nfs/dbraw/zinc/96/84/30/950968430.db2.gz USURTEFBQUOQTP-HZPDHXFCSA-N 2 0 307.438 0.721 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001331439014 951119983 /nfs/dbraw/zinc/11/99/83/951119983.db2.gz LNSLIKJAUBIPEV-LSDHHAIUSA-N 2 0 324.469 0.598 20 30 DCEDRP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](CCCC#N)C2)C1=O ZINC001274039724 951351559 /nfs/dbraw/zinc/35/15/59/951351559.db2.gz LJZBRLDVCLXUBU-INIZCTEOSA-N 2 0 306.410 0.693 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]CCOC)C2)CC1 ZINC001281475634 951513552 /nfs/dbraw/zinc/51/35/52/951513552.db2.gz JPBWVUQFEJAAKQ-GOEBONIOSA-N 2 0 307.438 0.415 20 30 DCEDRP COCC#CCN1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001332199424 951517850 /nfs/dbraw/zinc/51/78/50/951517850.db2.gz OZQZLWKZWQDSBG-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CCN1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001332199423 951518132 /nfs/dbraw/zinc/51/81/32/951518132.db2.gz OZQZLWKZWQDSBG-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001281612626 951562788 /nfs/dbraw/zinc/56/27/88/951562788.db2.gz DLXAGTKQVKLMIV-HUUCEWRRSA-N 2 0 309.454 0.846 20 30 DCEDRP COCC#CCN(C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001320000554 951592360 /nfs/dbraw/zinc/59/23/60/951592360.db2.gz UFFHIUWHGPUQAP-MRXNPFEDSA-N 2 0 309.454 0.899 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001332390208 951627191 /nfs/dbraw/zinc/62/71/91/951627191.db2.gz DRZGHNCEDBXSFY-OAHLLOKOSA-N 2 0 324.469 0.553 20 30 DCEDRP C=C[C@@](C)(O)C[N@H+]1CC[C@@]2(CCN(Cc3cncn3C)C2=O)C1 ZINC001274617240 951744012 /nfs/dbraw/zinc/74/40/12/951744012.db2.gz WGXNXPVPKUMHML-IAGOWNOFSA-N 2 0 318.421 0.782 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001316619745 953563802 /nfs/dbraw/zinc/56/38/02/953563802.db2.gz OPZRQFYUXWLJJD-IYBDPMFKSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001284501388 955133306 /nfs/dbraw/zinc/13/33/06/955133306.db2.gz CUGDAPOPEGETPL-OAHLLOKOSA-N 2 0 309.454 0.800 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC#CCOC)C1 ZINC001491808181 959321257 /nfs/dbraw/zinc/32/12/57/959321257.db2.gz HWXLDSYOAQUPBP-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)CCCO)C2)CC1 ZINC001491965800 959455016 /nfs/dbraw/zinc/45/50/16/959455016.db2.gz UAPVJXHQDJHNEA-KRWDZBQOSA-N 2 0 321.465 0.637 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1OCC ZINC001316688912 960033603 /nfs/dbraw/zinc/03/36/03/960033603.db2.gz WXKWJXBUQNGDQA-KLHDSHLOSA-N 2 0 307.438 0.413 20 30 DCEDRP C=CCOCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001317521861 960267493 /nfs/dbraw/zinc/26/74/93/960267493.db2.gz FKDNSEWNLYJGTE-WBVHZDCISA-N 2 0 321.465 0.969 20 30 DCEDRP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001379428492 962903639 /nfs/dbraw/zinc/90/36/39/962903639.db2.gz AOLKIAJOASGPCC-JKSUJKDBSA-N 2 0 318.421 0.465 20 30 DCEDRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001369383177 964865657 /nfs/dbraw/zinc/86/56/57/964865657.db2.gz MOJNEXHNYHNZLU-CVEARBPZSA-N 2 0 316.405 0.077 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001506574291 1017370296 /nfs/dbraw/zinc/37/02/96/1017370296.db2.gz WAMOOBMWRASCFD-HNNXBMFYSA-N 2 0 324.469 0.601 20 30 DCEDRP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001502586023 1015984964 /nfs/dbraw/zinc/98/49/64/1015984964.db2.gz CSQOCHLMJXNTPN-QGZVFWFLSA-N 2 0 309.454 0.847 20 30 DCEDRP C=C(C)C[NH+]1CCC(CO)(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001505387269 1016202563 /nfs/dbraw/zinc/20/25/63/1016202563.db2.gz JDHQAHWTPOKVSN-UHFFFAOYSA-N 2 0 309.454 0.847 20 30 DCEDRP CC#CC[N@H+](C)[C@H](C)CNC(=O)CCCCN1CCOCC1 ZINC001506021846 1016894624 /nfs/dbraw/zinc/89/46/24/1016894624.db2.gz QFYHPVDDXXDYLZ-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001407855077 1004903781 /nfs/dbraw/zinc/90/37/81/1004903781.db2.gz DFAIOXGUUJLWLD-UONOGXRCSA-N 2 0 315.845 0.898 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001438993342 1006334333 /nfs/dbraw/zinc/33/43/33/1006334333.db2.gz JOPBZQIRHQSGBZ-OLZOCXBDSA-N 2 0 303.834 0.680 20 30 DCEDRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NCC#CC[NH+](C)C)C2)CC1 ZINC001564077744 1012518893 /nfs/dbraw/zinc/51/88/93/1012518893.db2.gz ULKJVNQCSGYGHT-HNNXBMFYSA-N 2 0 321.469 0.019 20 30 DCEDRP C#CC[NH2+]CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001522445503 1017510584 /nfs/dbraw/zinc/51/05/84/1017510584.db2.gz LRDGBRHCWGUQEQ-UHFFFAOYSA-N 2 0 300.406 0.277 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479829491 1017840369 /nfs/dbraw/zinc/84/03/69/1017840369.db2.gz NLICFTNHEFQJGU-LSDHHAIUSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479829489 1017843570 /nfs/dbraw/zinc/84/35/70/1017843570.db2.gz NLICFTNHEFQJGU-HUUCEWRRSA-N 2 0 324.469 0.600 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CC#CCOC)CC2)C1 ZINC001499324750 1017851391 /nfs/dbraw/zinc/85/13/91/1017851391.db2.gz NDJJDTLFSBFOEF-MRXNPFEDSA-N 2 0 321.465 0.997 20 30 DCEDRP C#CC[N@@H+](CCOC)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001499538953 1017964911 /nfs/dbraw/zinc/96/49/11/1017964911.db2.gz UODQFDISVHBSQX-OAHLLOKOSA-N 2 0 307.438 0.511 20 30 DCEDRP C=CCC[NH+]1CCN(CCCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001479924584 1017983809 /nfs/dbraw/zinc/98/38/09/1017983809.db2.gz REMRJBZUPUGBBM-UHFFFAOYSA-N 2 0 320.481 0.782 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001480139622 1018245553 /nfs/dbraw/zinc/24/55/53/1018245553.db2.gz YDZYGURMYKIDIX-BZUAXINKSA-N 2 0 307.438 0.746 20 30 DCEDRP C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)C12CCC[NH+]1CCC2 ZINC001497623016 1018285657 /nfs/dbraw/zinc/28/56/57/1018285657.db2.gz JXOMYYAKQDDKEU-ARJAWSKDSA-N 2 0 320.437 0.179 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001497827677 1018452592 /nfs/dbraw/zinc/45/25/92/1018452592.db2.gz NJOIOJYWELOOAP-CHWSQXEVSA-N 2 0 310.442 0.256 20 30 DCEDRP C=CCC[NH+]1CC[C@](O)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001500686805 1018578752 /nfs/dbraw/zinc/57/87/52/1018578752.db2.gz LVKZWKUNHDEQOF-WBVHZDCISA-N 2 0 309.454 0.990 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001500695182 1018585960 /nfs/dbraw/zinc/58/59/60/1018585960.db2.gz HDNYGPNLCAQNDT-SJLPKXTDSA-N 2 0 321.465 0.683 20 30 DCEDRP C=CCCC[NH+]1CC[C@](O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001500725845 1018611639 /nfs/dbraw/zinc/61/16/39/1018611639.db2.gz VJRFBWNHSFLCCI-WBVHZDCISA-N 2 0 309.454 0.847 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001498189459 1018732760 /nfs/dbraw/zinc/73/27/60/1018732760.db2.gz BNDWAKCNIAMJCQ-AAEUAGOBSA-N 2 0 303.834 0.802 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001480770173 1018888452 /nfs/dbraw/zinc/88/84/52/1018888452.db2.gz PIAFHNRUINDWDO-ZIAGYGMSSA-N 2 0 322.453 0.093 20 30 DCEDRP C=CCC[NH+]1CCC[C@@](CO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001501359492 1019094654 /nfs/dbraw/zinc/09/46/54/1019094654.db2.gz DKNBPXOLCOSLQF-DOTOQJQBSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]C[C@H]2CCOC2)CC1 ZINC001496238602 1019185954 /nfs/dbraw/zinc/18/59/54/1019185954.db2.gz MDNTYKHLHWYFAI-JKSUJKDBSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001496908831 1019750824 /nfs/dbraw/zinc/75/08/24/1019750824.db2.gz QCBJWZGYQPEDKE-NVXWUHKLSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001494172245 1020039449 /nfs/dbraw/zinc/03/94/49/1020039449.db2.gz NRVPJQHQOGXYIN-INIZCTEOSA-N 2 0 319.449 0.512 20 30 DCEDRP C=CCn1cc(C[NH2+][C@@H](C)C2(C(=O)OCC)CC[NH2+]CC2)nn1 ZINC000424386292 240259675 /nfs/dbraw/zinc/25/96/75/240259675.db2.gz XDLLKACEHUGEKA-ZDUSSCGKSA-N 2 0 321.425 0.875 20 30 DCEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000262763308 532966133 /nfs/dbraw/zinc/96/61/33/532966133.db2.gz GRWOTIORULEDCF-LBPRGKRZSA-N 2 0 319.409 0.430 20 30 DCEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594441060 397550970 /nfs/dbraw/zinc/55/09/70/397550970.db2.gz LWCXIOUIEAPXJW-HUUCEWRRSA-N 2 0 310.442 0.871 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000114181189 415722074 /nfs/dbraw/zinc/72/20/74/415722074.db2.gz ZBSOQARDBQRCOP-MRXNPFEDSA-N 2 0 320.481 0.331 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000355311454 415860354 /nfs/dbraw/zinc/86/03/54/415860354.db2.gz FTQAQLFIXFAOIX-CQSZACIVSA-N 2 0 324.469 0.600 20 30 DCEDRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000329774641 416190761 /nfs/dbraw/zinc/19/07/61/416190761.db2.gz MJFLWQVEOLMVRC-KFWWJZLASA-N 2 0 311.474 0.465 20 30 DCEDRP C[C@H](C#N)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000347041348 416212014 /nfs/dbraw/zinc/21/20/14/416212014.db2.gz SPTVPOJFKNVEGT-CQSZACIVSA-N 2 0 301.394 0.870 20 30 DCEDRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424154716 416618967 /nfs/dbraw/zinc/61/89/67/416618967.db2.gz LTUULTHHNOOUJG-KGLIPLIRSA-N 2 0 323.441 0.066 20 30 DCEDRP C=CC[C@]1(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CCC[NH2+]1 ZINC000662815435 417914722 /nfs/dbraw/zinc/91/47/22/417914722.db2.gz UFLPGNYBDMYDRR-GDBMZVCRSA-N 2 0 318.425 0.599 20 30 DCEDRP C=C[C@H](CO)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000662168126 418386449 /nfs/dbraw/zinc/38/64/49/418386449.db2.gz UWFILAPKBMMEDZ-OIISXLGYSA-N 2 0 317.433 0.902 20 30 DCEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NC[C@@]1(C)CCCO1 ZINC000261753188 278167909 /nfs/dbraw/zinc/16/79/09/278167909.db2.gz MAUHFEAHANOFST-GDBMZVCRSA-N 2 0 309.458 0.110 20 30 DCEDRP CC[NH+]=C(NC[C@@H]1COCCO1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262471400 280841327 /nfs/dbraw/zinc/84/13/27/280841327.db2.gz OYDJFGBTEOYOEG-JKSUJKDBSA-N 2 0 324.469 0.928 20 30 DCEDRP C[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000330177009 336121019 /nfs/dbraw/zinc/12/10/19/336121019.db2.gz KIQIRDDCJCVSMO-CVEARBPZSA-N 2 0 324.469 0.962 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000490739027 339839049 /nfs/dbraw/zinc/83/90/49/339839049.db2.gz AMWWNLJZWUUITL-INIZCTEOSA-N 2 0 309.479 0.885 20 30 DCEDRP C[NH+]=C(NCC[NH+]1CCCC1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000179080329 526355953 /nfs/dbraw/zinc/35/59/53/526355953.db2.gz FGZBFXLBXJBYGU-INIZCTEOSA-N 2 0 323.485 0.312 20 30 DCEDRP C#CCNC(NCc1ccc(N2CC[NH+](C)CC2)nc1)=[NH+]C ZINC000262614669 526913568 /nfs/dbraw/zinc/91/35/68/526913568.db2.gz KWUKOEIPSWGMBQ-UHFFFAOYSA-N 2 0 300.410 0.132 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000377370990 526926700 /nfs/dbraw/zinc/92/67/00/526926700.db2.gz BBAJHBZUWMDSLA-HOTGVXAUSA-N 2 0 305.422 0.311 20 30 DCEDRP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000978171541 660493841 /nfs/dbraw/zinc/49/38/41/660493841.db2.gz ASROVZMJKYYWSH-LUKYLMHMSA-N 2 0 301.434 0.646 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC001022222219 657570719 /nfs/dbraw/zinc/57/07/19/657570719.db2.gz VSSOLHOKSQRFCT-TWMKSMIVSA-N 2 0 319.449 0.890 20 30 DCEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000970560012 657633207 /nfs/dbraw/zinc/63/32/07/657633207.db2.gz JEAFLCHTSBYWGH-CQSZACIVSA-N 2 0 317.437 0.518 20 30 DCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000971789565 657672914 /nfs/dbraw/zinc/67/29/14/657672914.db2.gz PFDXCZYUSMZFBZ-OAHLLOKOSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CCCN1CCO[C@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC000972552648 657764682 /nfs/dbraw/zinc/76/46/82/657764682.db2.gz QQPRDBGIQAFGBR-FUHWJXTLSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001023499754 657936193 /nfs/dbraw/zinc/93/61/93/657936193.db2.gz GIJKMXXEOWXXBG-VUGNNNGISA-N 2 0 317.433 0.311 20 30 DCEDRP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001023500423 657936253 /nfs/dbraw/zinc/93/62/53/657936253.db2.gz UFGVSOAWMZSXCI-JBCIKUTRSA-N 2 0 319.449 0.864 20 30 DCEDRP C=CC[NH2+][C@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000999180348 665592188 /nfs/dbraw/zinc/59/21/88/665592188.db2.gz GXMURTYSELGUMZ-AWEZNQCLSA-N 2 0 305.426 0.825 20 30 DCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000971555646 658799296 /nfs/dbraw/zinc/79/92/96/658799296.db2.gz IBNURFHWYFFEMA-AWEZNQCLSA-N 2 0 303.410 0.224 20 30 DCEDRP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C3CC[NH+](CC#C)CC3)C[C@H]21 ZINC001026425622 659336953 /nfs/dbraw/zinc/33/69/53/659336953.db2.gz GEVDHULNMRXFQL-RCCFBDPRSA-N 2 0 313.445 0.791 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025799090 659565723 /nfs/dbraw/zinc/56/57/23/659565723.db2.gz UYDPBWZGEIHWJA-ZOFXXKQRSA-N 2 0 319.449 0.862 20 30 DCEDRP C#CC[NH+]1CCC(C2(NC(=O)[C@H]3CN(C)CCO3)CC2)CC1 ZINC001000115495 665745805 /nfs/dbraw/zinc/74/58/05/665745805.db2.gz CPGSZXHEIVCXTB-OAHLLOKOSA-N 2 0 305.422 0.311 20 30 DCEDRP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000982150397 661298530 /nfs/dbraw/zinc/29/85/30/661298530.db2.gz DWOYPUTUFFMUKD-INIZCTEOSA-N 2 0 319.449 0.512 20 30 DCEDRP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N(C)C[C@H]1CCOC1 ZINC000261612247 661322415 /nfs/dbraw/zinc/32/24/15/661322415.db2.gz FYERINAETXWIKS-HUUCEWRRSA-N 2 0 311.474 0.166 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698174 661764761 /nfs/dbraw/zinc/76/47/61/661764761.db2.gz BRRSNNHESLTZJW-UERKLNTKSA-N 2 0 319.449 0.864 20 30 DCEDRP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001028757786 661808730 /nfs/dbraw/zinc/80/87/30/661808730.db2.gz JFFXJTKQPGGEQP-HZPDHXFCSA-N 2 0 307.438 0.557 20 30 DCEDRP C[NH+]=C(NCCN1CCC([NH+](C)C)CC1)NCc1ccco1 ZINC000304721957 662466289 /nfs/dbraw/zinc/46/62/89/662466289.db2.gz OVASKCOYLVMICC-UHFFFAOYSA-N 2 0 307.442 0.971 20 30 DCEDRP C#CCOCCNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000753384827 662789096 /nfs/dbraw/zinc/78/90/96/662789096.db2.gz SFSFIOYXNSTAPQ-MRXNPFEDSA-N 2 0 324.469 0.694 20 30 DCEDRP C#CCC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001000714791 665920977 /nfs/dbraw/zinc/92/09/77/665920977.db2.gz NDNSZWCUEYSTSY-DLBZAZTESA-N 2 0 317.433 0.621 20 30 DCEDRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC000905520239 663563032 /nfs/dbraw/zinc/56/30/32/663563032.db2.gz YQPJQMHHXISNSM-HNNXBMFYSA-N 2 0 306.385 0.395 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000911236827 664009362 /nfs/dbraw/zinc/00/93/62/664009362.db2.gz TVYINKQXXXHRDU-ZDUSSCGKSA-N 2 0 308.426 0.093 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCO)[C@H]2C)CC1 ZINC000994495747 665116328 /nfs/dbraw/zinc/11/63/28/665116328.db2.gz GRYVWCOGUYXZAS-RDJZCZTQSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000942056434 666103919 /nfs/dbraw/zinc/10/39/19/666103919.db2.gz HCHFMNDTDPKBDO-CABCVRRESA-N 2 0 317.437 0.518 20 30 DCEDRP C=CCC[NH+]1CC(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001032042476 666208813 /nfs/dbraw/zinc/20/88/13/666208813.db2.gz BFTINQRDVCZFRZ-UHFFFAOYSA-N 2 0 305.426 0.682 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000922629692 666498846 /nfs/dbraw/zinc/49/88/46/666498846.db2.gz YLNHDRXZKLMNRT-HUUCEWRRSA-N 2 0 324.494 0.821 20 30 DCEDRP C#CC[NH2+][C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1(C)C ZINC000995814113 666709109 /nfs/dbraw/zinc/70/91/09/666709109.db2.gz QFDKWHQGNFRZNQ-HNNXBMFYSA-N 2 0 317.437 0.518 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1(C)C ZINC000996069669 666737137 /nfs/dbraw/zinc/73/71/37/666737137.db2.gz KLHMMWUNYRVABR-NWPKHEMWSA-N 2 0 317.433 0.309 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1(C)C ZINC000996402272 666782719 /nfs/dbraw/zinc/78/27/19/666782719.db2.gz OQABLWWLVFTITH-OAHLLOKOSA-N 2 0 317.437 0.518 20 30 DCEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000996668305 666852509 /nfs/dbraw/zinc/85/25/09/666852509.db2.gz CSSVYVZHFMFSQB-KRWDZBQOSA-N 2 0 319.449 0.844 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CCO)C2)CC1 ZINC001034539142 667065291 /nfs/dbraw/zinc/06/52/91/667065291.db2.gz VYVLNKKGJOOJMW-INIZCTEOSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[NH+]3CCC1CC3)CC2 ZINC001035706361 667402653 /nfs/dbraw/zinc/40/26/53/667402653.db2.gz NITPSCYQEFSRBY-INIZCTEOSA-N 2 0 301.434 0.886 20 30 DCEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CC2 ZINC001035712669 667403019 /nfs/dbraw/zinc/40/30/19/667403019.db2.gz KOWZSIIALPNQEH-CVEARBPZSA-N 2 0 319.449 0.960 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C[C@H]1C ZINC001036310925 667435349 /nfs/dbraw/zinc/43/53/49/667435349.db2.gz NFUZWBCMOWOZPG-WBVHZDCISA-N 2 0 301.434 0.791 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000889775206 667995798 /nfs/dbraw/zinc/99/57/98/667995798.db2.gz UNMIXIAMIYIFNA-IAGOWNOFSA-N 2 0 319.449 0.389 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](NC(=O)C(=C)C[NH+](C)C)C(C)C ZINC000764510984 668451280 /nfs/dbraw/zinc/45/12/80/668451280.db2.gz ZHXYUOWTJWOKHN-OAHLLOKOSA-N 2 0 324.469 0.479 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000876519750 668460057 /nfs/dbraw/zinc/46/00/57/668460057.db2.gz MIJNYBVBWJFJSU-GFCCVEGCSA-N 2 0 309.801 0.900 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(CC[NH3+])cc1)C2 ZINC000884020787 669812889 /nfs/dbraw/zinc/81/28/89/669812889.db2.gz JPEUOABGWABITK-UPTPFMHGSA-N 2 0 312.417 0.943 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1C ZINC000947795414 670012916 /nfs/dbraw/zinc/01/29/16/670012916.db2.gz CJDSAACFEOMMTM-GOEBONIOSA-N 2 0 317.437 0.661 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCOCC)C2)CC1 ZINC001692352307 1157953253 /nfs/dbraw/zinc/95/32/53/1157953253.db2.gz UKLXODUXZMYUBH-UHFFFAOYSA-N 2 0 307.438 0.416 20 30 DCEDRP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1C)CCO2 ZINC000949051308 670247684 /nfs/dbraw/zinc/24/76/84/670247684.db2.gz FVPJAWVTJVRDPM-MRXNPFEDSA-N 2 0 319.449 0.797 20 30 DCEDRP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)CC1(C)C ZINC000858136988 670973727 /nfs/dbraw/zinc/97/37/27/670973727.db2.gz BZMWRSXEYDFOOZ-TZFAWSOVSA-N 2 0 306.410 0.975 20 30 DCEDRP C#C[C@](C)(CC)[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000852098484 671087575 /nfs/dbraw/zinc/08/75/75/671087575.db2.gz OMNZHJXRIDTRCH-DOTOQJQBSA-N 2 0 309.454 0.851 20 30 DCEDRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852896608 671189120 /nfs/dbraw/zinc/18/91/20/671189120.db2.gz FYJQIDSIIDUICI-IKGGRYGDSA-N 2 0 319.449 0.877 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]1NC(=O)C(=C)C[NH+](C)C ZINC000834407367 671758705 /nfs/dbraw/zinc/75/87/05/671758705.db2.gz RHFYWIHLYOPSER-GASCZTMLSA-N 2 0 322.453 0.376 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000844096455 672147646 /nfs/dbraw/zinc/14/76/46/672147646.db2.gz IQBXMSBCOOSTKZ-UHFFFAOYSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CCCO)CC1 ZINC001024811990 693836005 /nfs/dbraw/zinc/83/60/05/693836005.db2.gz IMVSVBCGDSUIED-KRWDZBQOSA-N 2 0 321.465 0.685 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1cccnc1 ZINC000303888352 685208074 /nfs/dbraw/zinc/20/80/74/685208074.db2.gz LIPITEISDNQWHU-AWEZNQCLSA-N 2 0 318.425 0.200 20 30 DCEDRP C=CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958555760 687742249 /nfs/dbraw/zinc/74/22/49/687742249.db2.gz NNXJHPIRKKJJGG-CVEARBPZSA-N 2 0 309.454 0.702 20 30 DCEDRP C=CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958598067 687785899 /nfs/dbraw/zinc/78/58/99/687785899.db2.gz HOXOZEZNHNLCIY-DOMZBBRYSA-N 2 0 304.394 0.356 20 30 DCEDRP C=CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000958717406 687871371 /nfs/dbraw/zinc/87/13/71/687871371.db2.gz QIGQRDFATPXUDS-DLBZAZTESA-N 2 0 317.433 0.957 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCC=C)C[C@@H]2O)CC1 ZINC000958725175 687877720 /nfs/dbraw/zinc/87/77/20/687877720.db2.gz WHMRZNWDAFFPRY-IRXDYDNUSA-N 2 0 319.449 0.317 20 30 DCEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000968718986 690378188 /nfs/dbraw/zinc/37/81/88/690378188.db2.gz GAXVKGLQFVDSOH-CQSZACIVSA-N 2 0 305.426 0.825 20 30 DCEDRP C=CC[N@H+]1CCC2(CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001073434004 694726386 /nfs/dbraw/zinc/72/63/86/694726386.db2.gz ZHOJKDWJIZJFRY-OAHLLOKOSA-N 2 0 307.438 0.675 20 30 DCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760863 694661464 /nfs/dbraw/zinc/66/14/64/694661464.db2.gz QZJHUWIWKCESIL-GJZGRUSLSA-N 2 0 303.406 0.017 20 30 DCEDRP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001073661778 694761625 /nfs/dbraw/zinc/76/16/25/694761625.db2.gz COOWSAINBFFUKK-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP C=C(C)CC[NH+]1CC(N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001570403877 1162504813 /nfs/dbraw/zinc/50/48/13/1162504813.db2.gz FGQDCNDSPHPEFD-UHFFFAOYSA-N 2 0 308.470 0.733 20 30 DCEDRP C=CCCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001570426980 1162511747 /nfs/dbraw/zinc/51/17/47/1162511747.db2.gz FIIHESJPSGCSCR-OAHLLOKOSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N(C)CC[C@H]([NH2+]CCO)C(C)C ZINC001570774480 1162619217 /nfs/dbraw/zinc/61/92/17/1162619217.db2.gz GIBSOAVFLLGVJS-HOTGVXAUSA-N 2 0 309.454 0.539 20 30 DCEDRP C#CCC[NH2+][C@H](C)[C@H]1CN(C(=O)CC[N@@H+](C)CCC)CCO1 ZINC001571001487 1162665972 /nfs/dbraw/zinc/66/59/72/1162665972.db2.gz JSBXKVLOCFTUPZ-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001571546721 1162804446 /nfs/dbraw/zinc/80/44/46/1162804446.db2.gz SPVRSEUFZMOKNN-HOTGVXAUSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CC2CCOCC2)CC1 ZINC001772517064 1157408476 /nfs/dbraw/zinc/40/84/76/1157408476.db2.gz WWODESSYGLVUDK-OAHLLOKOSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2ocnc2C)CC1 ZINC001772517096 1157408779 /nfs/dbraw/zinc/40/87/79/1157408779.db2.gz QHRUECVOVNNKAI-ZDUSSCGKSA-N 2 0 318.421 0.923 20 30 DCEDRP C#CC[NH2+]CC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390936192 1157656421 /nfs/dbraw/zinc/65/64/21/1157656421.db2.gz OJACEDKYHGPLHO-UHFFFAOYSA-N 2 0 314.433 0.143 20 30 DCEDRP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)CN1CCOCC1 ZINC001755200440 1158010741 /nfs/dbraw/zinc/01/07/41/1158010741.db2.gz KQQZILVYAIDHBN-IRXDYDNUSA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001565878379 1159919485 /nfs/dbraw/zinc/91/94/85/1159919485.db2.gz RIXYXHHDBCPBMZ-QAQDUYKDSA-N 2 0 321.465 0.997 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1OCC ZINC001565948808 1159930343 /nfs/dbraw/zinc/93/03/43/1159930343.db2.gz PFQMVXIUHCFUPO-IXDOHACOSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001566813717 1160160165 /nfs/dbraw/zinc/16/01/65/1160160165.db2.gz LQBQFXBVGZDVQD-WKILWMFISA-N 2 0 307.438 0.749 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001567140572 1160254435 /nfs/dbraw/zinc/25/44/35/1160254435.db2.gz OBCJKSTVDXYGFT-KGLIPLIRSA-N 2 0 310.442 0.067 20 30 DCEDRP C=CCOCC[NH+]1CC[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001567409415 1160354156 /nfs/dbraw/zinc/35/41/56/1160354156.db2.gz HIGOMNWISPUGQB-CVEARBPZSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]C[C@H]2CCOC2)CC1 ZINC001567611864 1160441089 /nfs/dbraw/zinc/44/10/89/1160441089.db2.gz XOUXHZKOPBOELO-OAHLLOKOSA-N 2 0 307.438 0.416 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001568984534 1160908731 /nfs/dbraw/zinc/90/87/31/1160908731.db2.gz RIPJSSCGJCREEV-HUUCEWRRSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001569022798 1160920606 /nfs/dbraw/zinc/92/06/06/1160920606.db2.gz YNWPMEZNBNJZNE-CABCVRRESA-N 2 0 322.453 0.093 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001569064269 1160932992 /nfs/dbraw/zinc/93/29/92/1160932992.db2.gz BPONXQUWDYBBHT-AWEZNQCLSA-N 2 0 322.453 0.259 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001569270575 1161000772 /nfs/dbraw/zinc/00/07/72/1161000772.db2.gz ZXUFXVBEGUXENH-HNNXBMFYSA-N 2 0 322.453 0.048 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCC[C@@H](C)O)CC2)CC1 ZINC001569431719 1161058804 /nfs/dbraw/zinc/05/88/04/1161058804.db2.gz ATHKLDBGLDTIRY-OAHLLOKOSA-N 2 0 321.465 0.731 20 30 DCEDRP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCOC)CC1 ZINC001569596348 1161162108 /nfs/dbraw/zinc/16/21/08/1161162108.db2.gz XJEQLOMZKCZOFZ-HNNXBMFYSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001569837220 1161282615 /nfs/dbraw/zinc/28/26/15/1161282615.db2.gz MKAVACLMFSXOFF-CABCVRRESA-N 2 0 317.437 0.376 20 30 DCEDRP C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C1 ZINC001569878808 1161292704 /nfs/dbraw/zinc/29/27/04/1161292704.db2.gz LUBDNBWMVCVQMI-IYBDPMFKSA-N 2 0 321.465 0.921 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001569899871 1161305463 /nfs/dbraw/zinc/30/54/63/1161305463.db2.gz DBAVSTLRAOGJMV-GOSISDBHSA-N 2 0 321.465 0.685 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC001570142619 1161438802 /nfs/dbraw/zinc/43/88/02/1161438802.db2.gz QLPRNCZJVUBACJ-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C1=CC[N@H+](C)CC1 ZINC001576186698 1164262209 /nfs/dbraw/zinc/26/22/09/1164262209.db2.gz QJPOLCCABLIDQA-RDAFDQFTSA-N 2 0 302.422 0.892 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC001580043152 1165482908 /nfs/dbraw/zinc/48/29/08/1165482908.db2.gz JEPDXXWBAKTTSO-WCCAFZKYSA-N 2 0 302.422 0.869 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2(CCO)CC[NH+](C)CC2)CC1 ZINC001632169043 1171611646 /nfs/dbraw/zinc/61/16/46/1171611646.db2.gz JEWVVXYJASSXGZ-UHFFFAOYSA-N 2 0 307.438 0.295 20 30 DCEDRP C[NH+](C)CC1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC001649975532 1173353694 /nfs/dbraw/zinc/35/36/94/1173353694.db2.gz LXQPUQDEQDVZNG-ISXOHVOVSA-N 2 0 304.438 0.926 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N(CCC[NH3+])CC(F)(F)F)C2 ZINC001649976354 1173353997 /nfs/dbraw/zinc/35/39/97/1173353997.db2.gz FTTKEFLGPWYGSU-QWKFWESOSA-N 2 0 318.343 0.865 20 30 DCEDRP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001656775119 1173881749 /nfs/dbraw/zinc/88/17/49/1173881749.db2.gz JLGSZLDLZJAPSR-OAHLLOKOSA-N 2 0 307.438 0.389 20 30 DCEDRP COCC#CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001660753106 1174044932 /nfs/dbraw/zinc/04/49/32/1174044932.db2.gz MIBPQKKRJGRZSH-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001662578117 1174217161 /nfs/dbraw/zinc/21/71/61/1174217161.db2.gz SHOADUDYKPPNKT-INIZCTEOSA-N 2 0 307.438 0.703 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC1C[NH+](CCCOC(C)C)C1 ZINC001665301268 1174503039 /nfs/dbraw/zinc/50/30/39/1174503039.db2.gz TTWLDGOPAMFTTM-KRWDZBQOSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001666913914 1174646188 /nfs/dbraw/zinc/64/61/88/1174646188.db2.gz LVBUBOOQRASSBT-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001667759317 1174708363 /nfs/dbraw/zinc/70/83/63/1174708363.db2.gz WZDIFZKSRPEDSN-ZBFHGGJFSA-N 2 0 317.437 0.566 20 30 DCEDRP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001671810841 1175037843 /nfs/dbraw/zinc/03/78/43/1175037843.db2.gz TZTZQJOKVDSHIE-AEFFLSMTSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001672247490 1175091655 /nfs/dbraw/zinc/09/16/55/1175091655.db2.gz WQPHBHVNLCLZFM-HUUCEWRRSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001673676657 1175221940 /nfs/dbraw/zinc/22/19/40/1175221940.db2.gz VDZMKWHUWOBVIT-MRXNPFEDSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001674047335 1175247545 /nfs/dbraw/zinc/24/75/45/1175247545.db2.gz LQYNOZIEGAEMAW-UHFFFAOYSA-N 2 0 308.470 0.733 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001674110960 1175254679 /nfs/dbraw/zinc/25/46/79/1175254679.db2.gz VRBPCQXXGPOTJN-UHFFFAOYSA-N 2 0 321.465 0.829 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1OCC ZINC001691753118 1175378155 /nfs/dbraw/zinc/37/81/55/1175378155.db2.gz QXXDEEOBWQLIAT-HZPDHXFCSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001676423834 1175444689 /nfs/dbraw/zinc/44/46/89/1175444689.db2.gz KJPKOGYGRDNUBH-KBPBESRZSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCOC)C[C@@H]2C)CC1 ZINC001676784613 1175490403 /nfs/dbraw/zinc/49/04/03/1175490403.db2.gz XZLOJYQGNFGFDB-HOCLYGCPSA-N 2 0 307.438 0.557 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001677096400 1175525918 /nfs/dbraw/zinc/52/59/18/1175525918.db2.gz WWIAPBZMXVRFFZ-HOTGVXAUSA-N 2 0 309.454 0.539 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001677096401 1175526424 /nfs/dbraw/zinc/52/64/24/1175526424.db2.gz WWIAPBZMXVRFFZ-HZPDHXFCSA-N 2 0 309.454 0.539 20 30 DCEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001677115910 1175529802 /nfs/dbraw/zinc/52/98/02/1175529802.db2.gz ATXVMVMXWAYLED-BBRMVZONSA-N 2 0 315.433 0.794 20 30 DCEDRP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001677178261 1175544600 /nfs/dbraw/zinc/54/46/00/1175544600.db2.gz DVSKVDNHUGLILI-RDJZCZTQSA-N 2 0 309.454 0.800 20 30 DCEDRP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001677174640 1175545128 /nfs/dbraw/zinc/54/51/28/1175545128.db2.gz QKZIDVJRWKPDAF-QGZVFWFLSA-N 2 0 317.433 0.746 20 30 DCEDRP COCC#CC[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001677423466 1175563617 /nfs/dbraw/zinc/56/36/17/1175563617.db2.gz IZZGFAKPTBNKCY-UHFFFAOYSA-N 2 0 307.438 0.557 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1OCC ZINC001691755677 1175565030 /nfs/dbraw/zinc/56/50/30/1175565030.db2.gz CNDHWKXMUXZQOX-BRWVUGGUSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CN(CC)CCO1 ZINC001688067644 1176348914 /nfs/dbraw/zinc/34/89/14/1176348914.db2.gz CEEJVUTZROTVEJ-PMPSAXMXSA-N 2 0 307.438 0.958 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001690073586 1177162292 /nfs/dbraw/zinc/16/22/92/1177162292.db2.gz ZBDCEPUAFJIPKO-KRWDZBQOSA-N 2 0 320.481 0.638 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001690159099 1177182437 /nfs/dbraw/zinc/18/24/37/1177182437.db2.gz UFHHQWKXXOYSOC-CVEARBPZSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001690405346 1177238036 /nfs/dbraw/zinc/23/80/36/1177238036.db2.gz IIQXEIUGSYQPQU-OAHLLOKOSA-N 2 0 317.437 0.520 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001690429742 1177241254 /nfs/dbraw/zinc/24/12/54/1177241254.db2.gz VXAMQBMGRVFZHQ-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001690806319 1177329892 /nfs/dbraw/zinc/32/98/92/1177329892.db2.gz ZPDQVQSTHCMXSZ-CVEARBPZSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[NH+]2CCCC2)n1 ZINC001692135976 1177423769 /nfs/dbraw/zinc/42/37/69/1177423769.db2.gz HWPOETGBUFSAEZ-UHFFFAOYSA-N 2 0 319.409 0.560 20 30 DCEDRP C#CCC[NH+](CCO)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001692245149 1177458842 /nfs/dbraw/zinc/45/88/42/1177458842.db2.gz MCJGTUPZLIIKJJ-DLBZAZTESA-N 2 0 321.465 0.637 20 30 DCEDRP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001698954249 1177735405 /nfs/dbraw/zinc/73/54/05/1177735405.db2.gz ZKTUYCXMNILHKA-INIZCTEOSA-N 2 0 307.438 0.511 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001699011921 1177768249 /nfs/dbraw/zinc/76/82/49/1177768249.db2.gz ATZMVRZHPUKUKQ-CVEARBPZSA-N 2 0 321.465 0.995 20 30 DCEDRP C=C(C)C[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001700001277 1178420217 /nfs/dbraw/zinc/42/02/17/1178420217.db2.gz HZEKGUSRLKOIJA-BFYDXBDKSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(CO)CCC[N@@H+](CC)C2)CC1 ZINC001700005331 1178424463 /nfs/dbraw/zinc/42/44/63/1178424463.db2.gz KBKHFYWKOHARIX-KRWDZBQOSA-N 2 0 307.438 0.295 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001700041552 1178455742 /nfs/dbraw/zinc/45/57/42/1178455742.db2.gz VKQDSDDMHLDMHB-HZPDHXFCSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001700073797 1178469176 /nfs/dbraw/zinc/46/91/76/1178469176.db2.gz ZIIVDVWZHVAXLN-HUUCEWRRSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001700143709 1178493337 /nfs/dbraw/zinc/49/33/37/1178493337.db2.gz GXYOTUPKNFDYRU-CYBMUJFWSA-N 2 0 308.426 0.011 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001700181425 1178521206 /nfs/dbraw/zinc/52/12/06/1178521206.db2.gz VNFAVKGIPXUBMP-CABCVRRESA-N 2 0 324.469 0.600 20 30 DCEDRP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001700243703 1178550963 /nfs/dbraw/zinc/55/09/63/1178550963.db2.gz XKPOQAKHWRRJJX-RDJZCZTQSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001700666429 1178698251 /nfs/dbraw/zinc/69/82/51/1178698251.db2.gz UNSZUKUTKGDYSH-HUUCEWRRSA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001707224159 1180439250 /nfs/dbraw/zinc/43/92/50/1180439250.db2.gz OVPMGOGZUVOWPG-ZACQAIPSSA-N 2 0 321.465 0.921 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001713120089 1180688622 /nfs/dbraw/zinc/68/86/22/1180688622.db2.gz BBJWRYGHTQAGOK-KRWDZBQOSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]Cc2ccon2)CC1 ZINC001714453644 1181370358 /nfs/dbraw/zinc/37/03/58/1181370358.db2.gz PCLOVDVGQCZIEB-AWEZNQCLSA-N 2 0 318.421 0.862 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+]([C@H](C)COC)C2CC2)CC1 ZINC001714676894 1181474536 /nfs/dbraw/zinc/47/45/36/1181474536.db2.gz WEUGAADJQARJHD-OAHLLOKOSA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001715026023 1181658334 /nfs/dbraw/zinc/65/83/34/1181658334.db2.gz UZIVKNKZIVIHPS-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001715042143 1181669312 /nfs/dbraw/zinc/66/93/12/1181669312.db2.gz HBOAXEHWYALVQT-OAHLLOKOSA-N 2 0 307.438 0.653 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001715265520 1181741861 /nfs/dbraw/zinc/74/18/61/1181741861.db2.gz VCVLJOHMURFMOB-MRXNPFEDSA-N 2 0 309.454 0.710 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001715333509 1181777814 /nfs/dbraw/zinc/77/78/14/1181777814.db2.gz AGGUXLOQHYUVBB-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCOC(C)C)CC1 ZINC001715961844 1182121713 /nfs/dbraw/zinc/12/17/13/1182121713.db2.gz ICDUYRWHNCIINI-OAHLLOKOSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]C/C=C\Cl)CC1 ZINC001716113048 1182197442 /nfs/dbraw/zinc/19/74/42/1182197442.db2.gz XAGDVYSTILSVNK-JHAQOBCDSA-N 2 0 313.829 0.151 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001716449124 1182394471 /nfs/dbraw/zinc/39/44/71/1182394471.db2.gz ANFISZRYKHUHBA-IHRRRGAJSA-N 2 0 310.442 0.256 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CCC[C@H](C)O)CC1 ZINC001716670477 1182488576 /nfs/dbraw/zinc/48/85/76/1182488576.db2.gz FRGPGZZSUCMWGU-DOTOQJQBSA-N 2 0 321.465 0.683 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001716696283 1182497792 /nfs/dbraw/zinc/49/77/92/1182497792.db2.gz CQFJSHAQHGZTKV-HZPDHXFCSA-N 2 0 319.449 0.892 20 30 DCEDRP C#CC[NH+]1CCC(C)(NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001716797976 1182528903 /nfs/dbraw/zinc/52/89/03/1182528903.db2.gz DBNCFDAJKADZKH-UHFFFAOYSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCO)CC1 ZINC001716806474 1182530908 /nfs/dbraw/zinc/53/09/08/1182530908.db2.gz BDGRQCXQGZXTHY-INIZCTEOSA-N 2 0 321.465 0.779 20 30 DCEDRP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001716861033 1182553007 /nfs/dbraw/zinc/55/30/07/1182553007.db2.gz VYROPEUUHOBCKC-DOTOQJQBSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001717337489 1182790300 /nfs/dbraw/zinc/79/03/00/1182790300.db2.gz LCQBPAKUKPRBKN-UONOGXRCSA-N 2 0 310.442 0.209 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#CCOC)C[C@@H]1C ZINC001723874545 1184358286 /nfs/dbraw/zinc/35/82/86/1184358286.db2.gz LTGZHZJFIVATLX-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCOCC1 ZINC001724362114 1184413512 /nfs/dbraw/zinc/41/35/12/1184413512.db2.gz HELLMNWYASALIP-GJZGRUSLSA-N 2 0 307.438 0.605 20 30 DCEDRP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001724423174 1184439347 /nfs/dbraw/zinc/43/93/47/1184439347.db2.gz WZVZUMSTERFWMM-INIZCTEOSA-N 2 0 306.410 0.482 20 30 DCEDRP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001724672495 1184510709 /nfs/dbraw/zinc/51/07/09/1184510709.db2.gz TXQSCKQCUOBDCU-JKSUJKDBSA-N 2 0 309.454 0.990 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001724683325 1184517836 /nfs/dbraw/zinc/51/78/36/1184517836.db2.gz AASQYDTXFCEDGS-UHFFFAOYSA-N 2 0 317.433 0.796 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CCO1 ZINC001724812746 1184569275 /nfs/dbraw/zinc/56/92/75/1184569275.db2.gz KAHJIVBHJYDQHM-SJORKVTESA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001724963130 1184636440 /nfs/dbraw/zinc/63/64/40/1184636440.db2.gz IVFODPCQMALGKN-UHFFFAOYSA-N 2 0 322.453 0.355 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001724986849 1184646450 /nfs/dbraw/zinc/64/64/50/1184646450.db2.gz RTDCVAYRLGUZDC-UHFFFAOYSA-N 2 0 307.438 0.439 20 30 DCEDRP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001725325539 1184770716 /nfs/dbraw/zinc/77/07/16/1184770716.db2.gz ZHZATTSYFZXXJH-VQHPVUNQSA-N 2 0 319.449 0.272 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCCO)C(C)(C)C2)CC1 ZINC001725684631 1184940478 /nfs/dbraw/zinc/94/04/78/1184940478.db2.gz ROJFCCWCZBVRQT-MRXNPFEDSA-N 2 0 321.465 0.541 20 30 DCEDRP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001725693940 1184946135 /nfs/dbraw/zinc/94/61/35/1184946135.db2.gz FZUMKAKUWMCXNK-HOTGVXAUSA-N 2 0 309.454 0.703 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001725754750 1184983096 /nfs/dbraw/zinc/98/30/96/1184983096.db2.gz IEHVFIPVWCNITH-CABCVRRESA-N 2 0 309.454 0.708 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001731424654 1185326035 /nfs/dbraw/zinc/32/60/35/1185326035.db2.gz JRUXSAXUACERQQ-IAGOWNOFSA-N 2 0 321.465 0.758 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001731624155 1185417753 /nfs/dbraw/zinc/41/77/53/1185417753.db2.gz SMPWYMOMALPELR-HUUCEWRRSA-N 2 0 324.469 0.647 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001731717025 1185455882 /nfs/dbraw/zinc/45/58/82/1185455882.db2.gz SBTFMHNFKUYVMY-IXDOHACOSA-N 2 0 321.465 0.899 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001731973619 1185619417 /nfs/dbraw/zinc/61/94/17/1185619417.db2.gz GYRTVJGOGURLEO-GJZGRUSLSA-N 2 0 324.469 0.457 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001732060006 1185653340 /nfs/dbraw/zinc/65/33/40/1185653340.db2.gz ABJKZJFBYJWUDC-MRXNPFEDSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CCOCC)C2)CC1 ZINC001732175414 1185720576 /nfs/dbraw/zinc/72/05/76/1185720576.db2.gz HPGAUVOILCTXKR-KRWDZBQOSA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C1 ZINC001733330599 1186230257 /nfs/dbraw/zinc/23/02/57/1186230257.db2.gz WWNCQBGWLUIRLB-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001733491642 1186299117 /nfs/dbraw/zinc/29/91/17/1186299117.db2.gz GRFLZVMUNDAOMF-AEFFLSMTSA-N 2 0 315.417 0.476 20 30 DCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1C ZINC001733851954 1186475248 /nfs/dbraw/zinc/47/52/48/1186475248.db2.gz AVDGFNOPZPJQCA-GOEBONIOSA-N 2 0 317.437 0.518 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)C[NH+]2CCCC2)C1=O ZINC001734354633 1186621133 /nfs/dbraw/zinc/62/11/33/1186621133.db2.gz LTIYGFYHMBZPGD-GJZGRUSLSA-N 2 0 322.453 0.306 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001734417142 1186647910 /nfs/dbraw/zinc/64/79/10/1186647910.db2.gz POGWEXDMLCYDSE-KBPBESRZSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCOCC)C[C@@H]2C)CC1 ZINC001734431308 1186652286 /nfs/dbraw/zinc/65/22/86/1186652286.db2.gz VPOMAWBWHWEAKM-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001734449121 1186656252 /nfs/dbraw/zinc/65/62/52/1186656252.db2.gz IRYUEHUOLVFWKY-YESZJQIVSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001734542013 1186684958 /nfs/dbraw/zinc/68/49/58/1186684958.db2.gz RQNYNLZTAUTORY-HNNXBMFYSA-N 2 0 309.454 0.635 20 30 DCEDRP COCC#CC[N@H+]1CC=C(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001734631742 1186713795 /nfs/dbraw/zinc/71/37/95/1186713795.db2.gz SSQMUHPIEFXOAT-UHFFFAOYSA-N 2 0 319.449 0.726 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001753766909 1188653314 /nfs/dbraw/zinc/65/33/14/1188653314.db2.gz LLJLAAGPNAJXKO-HOTGVXAUSA-N 2 0 319.449 0.559 20 30 DCEDRP C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001754162528 1188766051 /nfs/dbraw/zinc/76/60/51/1188766051.db2.gz XNYZRWUXJBUGMC-LUNKNMTDSA-N 2 0 322.453 0.281 20 30 DCEDRP CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CC#CCOC ZINC001754467242 1188858372 /nfs/dbraw/zinc/85/83/72/1188858372.db2.gz CSCDGZUTHWDVLA-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+](CCOC)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001754551006 1188877271 /nfs/dbraw/zinc/87/72/71/1188877271.db2.gz MREDJWLJWBKKHK-UHFFFAOYSA-N 2 0 309.454 0.901 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(CO)CCC[N@H+](CC=C)C2)CC1 ZINC001754863180 1188953800 /nfs/dbraw/zinc/95/38/00/1188953800.db2.gz YOJBMSLVUOFQGT-GOSISDBHSA-N 2 0 319.449 0.461 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001754897647 1188968755 /nfs/dbraw/zinc/96/87/55/1188968755.db2.gz BCQATGLZUVWAFP-MRXNPFEDSA-N 2 0 309.454 0.541 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC#CCOC)CC1 ZINC001755031126 1189001811 /nfs/dbraw/zinc/00/18/11/1189001811.db2.gz NHBAKRJKLHTXLL-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001755368533 1189093044 /nfs/dbraw/zinc/09/30/44/1189093044.db2.gz SLWDEFZMOIELBF-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@H]([C@H](C)[NH2+]CCC)C2)CC1 ZINC001755448900 1189116306 /nfs/dbraw/zinc/11/63/06/1189116306.db2.gz YUNIDVYQJIDHMQ-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001106985991 751710751 /nfs/dbraw/zinc/71/07/51/751710751.db2.gz BXGLUICKDZREOV-IXDOHACOSA-N 2 0 321.465 0.662 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CCCO)[C@H](C)C2)CC1 ZINC001107034363 751777535 /nfs/dbraw/zinc/77/75/35/751777535.db2.gz XCJCMUDJVJAGBP-NVXWUHKLSA-N 2 0 321.465 0.398 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530783 752105727 /nfs/dbraw/zinc/10/57/27/752105727.db2.gz KZHZWPBATIMVPL-SJLPKXTDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCCN1C[C@H]2OCCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@H]2C1 ZINC001083193253 746979578 /nfs/dbraw/zinc/97/95/78/746979578.db2.gz IOYOEQWWFMNAOX-OWCLPIDISA-N 2 0 305.422 0.406 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCO)C2)CC1 ZINC001105062422 748018047 /nfs/dbraw/zinc/01/80/47/748018047.db2.gz PZMKYCNRNUWOEI-NVXWUHKLSA-N 2 0 321.465 0.398 20 30 DCEDRP C=CCOCC[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168052506 749245792 /nfs/dbraw/zinc/24/57/92/749245792.db2.gz SBLHUHDVJGKVER-UHFFFAOYSA-N 2 0 323.441 0.357 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCN3CCOCC3)C[C@@H]2C1 ZINC001088140638 749253067 /nfs/dbraw/zinc/25/30/67/749253067.db2.gz WPDTYVASIKWFQU-SJORKVTESA-N 2 0 319.449 0.512 20 30 DCEDRP C#CCN1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001088574685 749680081 /nfs/dbraw/zinc/68/00/81/749680081.db2.gz KGWAIAGABFYQNQ-KGLIPLIRSA-N 2 0 303.410 0.271 20 30 DCEDRP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077128122 750214607 /nfs/dbraw/zinc/21/46/07/750214607.db2.gz YATFTGZAYSJMFJ-ARFHVFGLSA-N 2 0 309.454 0.702 20 30 DCEDRP COCC#CC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127357487 751196140 /nfs/dbraw/zinc/19/61/40/751196140.db2.gz ZFCSMDQWEPERBZ-MRXNPFEDSA-N 2 0 321.465 0.997 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106623535 751207745 /nfs/dbraw/zinc/20/77/45/751207745.db2.gz UVURDBUYILEAHI-QLFBSQMISA-N 2 0 324.469 0.313 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001106808104 751290945 /nfs/dbraw/zinc/29/09/45/751290945.db2.gz KPTDYPCEKAZTTR-HUUCEWRRSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CCCN1CCO[C@](C)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001107997117 752851201 /nfs/dbraw/zinc/85/12/01/752851201.db2.gz QKSGMOGCQVEYHZ-QGZVFWFLSA-N 2 0 307.438 0.701 20 30 DCEDRP CC#CCN1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001077978572 752938761 /nfs/dbraw/zinc/93/87/61/752938761.db2.gz JXXVNFIUHVKEHZ-IAGOWNOFSA-N 2 0 319.449 0.293 20 30 DCEDRP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001045444848 753196143 /nfs/dbraw/zinc/19/61/43/753196143.db2.gz YPGYSEDCTDWRRL-LSDHHAIUSA-N 2 0 305.422 0.454 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046010069 753412648 /nfs/dbraw/zinc/41/26/48/753412648.db2.gz HSSUCKWYKUFPFH-DLBZAZTESA-N 2 0 318.465 0.322 20 30 DCEDRP C=CC[NH+]1CC[C@H](N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046077728 753468948 /nfs/dbraw/zinc/46/89/48/753468948.db2.gz YDADATYTVRNNMY-SJORKVTESA-N 2 0 320.481 0.733 20 30 DCEDRP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046082156 753472372 /nfs/dbraw/zinc/47/23/72/753472372.db2.gz OSSHNVRIDOKSOI-INIZCTEOSA-N 2 0 306.454 0.487 20 30 DCEDRP C=CC[N@H+]1CC[C@@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046326755 753646851 /nfs/dbraw/zinc/64/68/51/753646851.db2.gz UTXVFDUJPPBFGW-MRXNPFEDSA-N 2 0 305.426 0.825 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](C[C@H](C)OC)C2)CC1 ZINC001046850021 753978641 /nfs/dbraw/zinc/97/86/41/753978641.db2.gz NQIZIRGUSAXGCI-MAUKXSAKSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](C[C@@H](C)OC)C2)CC1 ZINC001046850022 753979357 /nfs/dbraw/zinc/97/93/57/753979357.db2.gz NQIZIRGUSAXGCI-QAPCUYQASA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCO)C3)CC1 ZINC001047209981 754129659 /nfs/dbraw/zinc/12/96/59/754129659.db2.gz ZUJTUDIEPHEZCK-XIRDDKMYSA-N 2 0 319.449 0.293 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)C[NH+](CC)CC)C1=O ZINC001168755119 754393169 /nfs/dbraw/zinc/39/31/69/754393169.db2.gz IMHNZZQZLZUBSI-AWEZNQCLSA-N 2 0 310.442 0.211 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCOC)C2)CC1 ZINC001072095568 762351954 /nfs/dbraw/zinc/35/19/54/762351954.db2.gz KPOZOMPQKVAYDK-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001090353324 755655721 /nfs/dbraw/zinc/65/57/21/755655721.db2.gz BDMHNJSAGSAIMT-CVEARBPZSA-N 2 0 321.465 0.990 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2OC)CC1 ZINC001082383411 757089158 /nfs/dbraw/zinc/08/91/58/757089158.db2.gz WHRXGVNZWGVECJ-HZPDHXFCSA-N 2 0 307.438 0.555 20 30 DCEDRP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001050048257 757306726 /nfs/dbraw/zinc/30/67/26/757306726.db2.gz NCDMVNLPEPJCFE-GVDBMIGSSA-N 2 0 301.434 0.884 20 30 DCEDRP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001083024789 757426681 /nfs/dbraw/zinc/42/66/81/757426681.db2.gz ZLKALVUGMWRGOP-OWCLPIDISA-N 2 0 307.438 0.958 20 30 DCEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084834374 758074346 /nfs/dbraw/zinc/07/43/46/758074346.db2.gz XTXYMAVCNYOPRR-ARFHVFGLSA-N 2 0 307.438 0.673 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001086106626 759720118 /nfs/dbraw/zinc/72/01/18/759720118.db2.gz SBUPAVHWXYKVFC-HLLBOEOZSA-N 2 0 319.449 0.747 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148057768 767906149 /nfs/dbraw/zinc/90/61/49/767906149.db2.gz KBGPGVRYZIPHDY-LBPRGKRZSA-N 2 0 319.409 0.158 20 30 DCEDRP C=CCOCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001148292890 767959909 /nfs/dbraw/zinc/95/99/09/767959909.db2.gz YXTWZAVXJPIAAT-JKSUJKDBSA-N 2 0 321.465 0.921 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001123656354 768014949 /nfs/dbraw/zinc/01/49/49/768014949.db2.gz ROUNUGJPKKHCPY-GOEBONIOSA-N 2 0 323.485 0.570 20 30 DCEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327157 761169909 /nfs/dbraw/zinc/16/99/09/761169909.db2.gz VGEGGAPQWRYMFF-ZNMIVQPWSA-N 2 0 318.425 0.147 20 30 DCEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H](Cn1cccn1)N(C)C ZINC001129386542 761316782 /nfs/dbraw/zinc/31/67/82/761316782.db2.gz MTQDQNUMFJLECJ-GJZGRUSLSA-N 2 0 307.442 0.874 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129422967 762935963 /nfs/dbraw/zinc/93/59/63/762935963.db2.gz NYCHBQUYOIAACY-OAHLLOKOSA-N 2 0 322.453 0.401 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](OCC)C1CC1 ZINC001129770570 763007642 /nfs/dbraw/zinc/00/76/42/763007642.db2.gz IRVVZXIWNDKWDU-JKSUJKDBSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001098471753 763065320 /nfs/dbraw/zinc/06/53/20/763065320.db2.gz LAFSSSAKIHGBPA-MRXNPFEDSA-N 2 0 309.454 0.491 20 30 DCEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129983182 763071478 /nfs/dbraw/zinc/07/14/78/763071478.db2.gz QKFSUBVHRAETPA-CABCVRRESA-N 2 0 320.441 0.538 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001100418652 763565859 /nfs/dbraw/zinc/56/58/59/763565859.db2.gz DRHRNTVPRYQIDB-JCYILVPMSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@H](C)O2 ZINC001131681683 763935507 /nfs/dbraw/zinc/93/55/07/763935507.db2.gz GIVZIMFDKLBZDZ-RDJZCZTQSA-N 2 0 307.438 0.653 20 30 DCEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432261 764093902 /nfs/dbraw/zinc/09/39/02/764093902.db2.gz JTGCKIPEHDGXKP-WBVHZDCISA-N 2 0 307.438 0.368 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133052022 764804225 /nfs/dbraw/zinc/80/42/25/764804225.db2.gz YQCJPFGPZQKDAU-UHFFFAOYSA-N 2 0 310.442 0.235 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001133199324 764865313 /nfs/dbraw/zinc/86/53/13/764865313.db2.gz DJENSFVILFMYCX-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001133309275 764918058 /nfs/dbraw/zinc/91/80/58/764918058.db2.gz BCKUFISSZOVNKM-IRXDYDNUSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133908074 765220230 /nfs/dbraw/zinc/22/02/30/765220230.db2.gz GNYKSJXJOBJCSG-ZDUSSCGKSA-N 2 0 312.458 0.361 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112182256 765470697 /nfs/dbraw/zinc/47/06/97/765470697.db2.gz XAWVBQDDNBHMNY-VXGBXAGGSA-N 2 0 305.344 0.940 20 30 DCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206052 765473903 /nfs/dbraw/zinc/47/39/03/765473903.db2.gz FQWDHFRVFKSTEN-YNEHKIRRSA-N 2 0 317.355 0.940 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001134780664 765671194 /nfs/dbraw/zinc/67/11/94/765671194.db2.gz QXTHPJYGGHETCS-HNNXBMFYSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135093861 765801762 /nfs/dbraw/zinc/80/17/62/765801762.db2.gz UJAGJHRDJHEIMQ-KGLIPLIRSA-N 2 0 308.426 0.011 20 30 DCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001091069237 766885598 /nfs/dbraw/zinc/88/55/98/766885598.db2.gz SBUPAVHWXYKVFC-DQPZFDDXSA-N 2 0 319.449 0.747 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CCCCC1 ZINC001120147894 766916077 /nfs/dbraw/zinc/91/60/77/766916077.db2.gz UXYMDLNBEVUHEP-INIZCTEOSA-N 2 0 321.465 0.997 20 30 DCEDRP COCC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001122177975 767733273 /nfs/dbraw/zinc/73/32/73/767733273.db2.gz PUPMWGIEJRQLRT-XOGYLQAWSA-N 2 0 319.449 0.605 20 30 DCEDRP C#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)CCO2 ZINC001093412923 768563376 /nfs/dbraw/zinc/56/33/76/768563376.db2.gz BHBAHDBQUMKPOZ-HJOIGYKYSA-N 2 0 319.449 0.701 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171585518 769316666 /nfs/dbraw/zinc/31/66/66/769316666.db2.gz XYUPBPPHNOYXKD-CQSZACIVSA-N 2 0 312.458 0.505 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)CCC[NH+]2CCCC2)C1=O ZINC001152230915 769511853 /nfs/dbraw/zinc/51/18/53/769511853.db2.gz RAVFTXBVFANXAW-HNNXBMFYSA-N 2 0 322.453 0.355 20 30 DCEDRP C=CCOCC[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001203349166 769736278 /nfs/dbraw/zinc/73/62/78/769736278.db2.gz HNFWOEKMCCISJR-UHFFFAOYSA-N 2 0 313.442 0.348 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176996738 770286067 /nfs/dbraw/zinc/28/60/67/770286067.db2.gz ARCIBFBATOOONB-INIZCTEOSA-N 2 0 324.469 0.505 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155822544 770631216 /nfs/dbraw/zinc/63/12/16/770631216.db2.gz UFHBVXVEXQJPSL-OAHLLOKOSA-N 2 0 322.453 0.377 20 30 DCEDRP C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156927235 770966694 /nfs/dbraw/zinc/96/66/94/770966694.db2.gz HOFCZCQSHHPNOM-CQSZACIVSA-N 2 0 310.442 0.211 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001183249427 771628348 /nfs/dbraw/zinc/62/83/48/771628348.db2.gz HXLYTXWUXVCCDG-WBVHZDCISA-N 2 0 319.449 0.844 20 30 DCEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158485971 771781933 /nfs/dbraw/zinc/78/19/33/771781933.db2.gz CMBHLEXWDZHICN-STQMWFEESA-N 2 0 301.818 0.698 20 30 DCEDRP C#CC[C@]1(C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)CCC[NH2+]1 ZINC001158544363 771788078 /nfs/dbraw/zinc/78/80/78/771788078.db2.gz DKCVAPINFXQTEW-XOSAIJSUSA-N 2 0 303.406 0.111 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001184962108 771847004 /nfs/dbraw/zinc/84/70/04/771847004.db2.gz OXGOAXOGZDIMDO-KFWWJZLASA-N 2 0 322.453 0.352 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001159356174 771900724 /nfs/dbraw/zinc/90/07/24/771900724.db2.gz UQYZOFKZFIDNFD-GJZGRUSLSA-N 2 0 324.469 0.647 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001160274946 772017495 /nfs/dbraw/zinc/01/74/95/772017495.db2.gz XTDQADWHTYGOPB-GJZGRUSLSA-N 2 0 322.453 0.095 20 30 DCEDRP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C)(COC)CC1 ZINC001162171292 772335709 /nfs/dbraw/zinc/33/57/09/772335709.db2.gz MMFISZFQXWLXMQ-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)(COC)CC1 ZINC001162481788 772378713 /nfs/dbraw/zinc/37/87/13/772378713.db2.gz FTWCOMRKJVZNHD-CVEARBPZSA-N 2 0 321.465 0.662 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)(COC)CC1 ZINC001162603961 772396364 /nfs/dbraw/zinc/39/63/64/772396364.db2.gz FEOMNYXJUYICDE-HNNXBMFYSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)C[N@H+](C)C(C)C)(COC)CC1 ZINC001162617945 772398791 /nfs/dbraw/zinc/39/87/91/772398791.db2.gz QZUZSDJCRPQPCY-UHFFFAOYSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001162617786 772398921 /nfs/dbraw/zinc/39/89/21/772398921.db2.gz SHKDPJVRLXCTJS-UHFFFAOYSA-N 2 0 300.362 0.694 20 30 DCEDRP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190148862 772590231 /nfs/dbraw/zinc/59/02/31/772590231.db2.gz KRBHIWQFTMHQQB-HRCADAONSA-N 2 0 307.438 0.673 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)CCC[NH+](C)C)C1=O ZINC001165360917 772728642 /nfs/dbraw/zinc/72/86/42/772728642.db2.gz VSYLVRNWQAIOJY-CQSZACIVSA-N 2 0 310.442 0.211 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166677722 772839481 /nfs/dbraw/zinc/83/94/81/772839481.db2.gz MATHZMNGVFYDSE-KGLIPLIRSA-N 2 0 310.442 0.115 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)COCC[NH+](C)C)C12CCC2 ZINC001203615187 772916080 /nfs/dbraw/zinc/91/60/80/772916080.db2.gz NVTCQIVBIGNOSA-LSDHHAIUSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001205344190 772988348 /nfs/dbraw/zinc/98/83/48/772988348.db2.gz CKGZOKAJHLQXER-HZPDHXFCSA-N 2 0 307.438 0.864 20 30 DCEDRP C#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001205345596 772988360 /nfs/dbraw/zinc/98/83/60/772988360.db2.gz RYNICBLRCSFSRD-JKSUJKDBSA-N 2 0 305.422 0.311 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001193641976 773093550 /nfs/dbraw/zinc/09/35/50/773093550.db2.gz JZAGVIUHQWXJOB-HUUCEWRRSA-N 2 0 324.469 0.552 20 30 DCEDRP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207550792 773234737 /nfs/dbraw/zinc/23/47/37/773234737.db2.gz JNADRDRVSYVXOM-BMFZPTHFSA-N 2 0 309.454 0.966 20 30 DCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207767541 773296462 /nfs/dbraw/zinc/29/64/62/773296462.db2.gz XTHCIYQUCIODFJ-GDBMZVCRSA-N 2 0 300.406 0.978 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215396980 774069375 /nfs/dbraw/zinc/06/93/75/774069375.db2.gz MMQHWORVWDZTJA-LTIDMASMSA-N 2 0 321.465 0.803 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453699 774073490 /nfs/dbraw/zinc/07/34/90/774073490.db2.gz OGNSZQLYRIWKHC-UKRRQHHQSA-N 2 0 322.453 0.067 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCOC)C2)CC1 ZINC001216837615 774141217 /nfs/dbraw/zinc/14/12/17/774141217.db2.gz JPBWVUQFEJAAKQ-GDBMZVCRSA-N 2 0 307.438 0.415 20 30 DCEDRP N#Cc1c(NC(=O)CCCCNC(N)=[NH2+])sc2c1CC[NH2+]C2 ZINC001218551983 774245281 /nfs/dbraw/zinc/24/52/81/774245281.db2.gz BGENXAIGDOWJCE-UHFFFAOYSA-N 2 0 320.422 0.857 20 30 DCEDRP COC(=O)c1scc(C#N)c1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218606034 774261066 /nfs/dbraw/zinc/26/10/66/774261066.db2.gz ZABSOYZQVYWYNQ-VIFPVBQESA-N 2 0 310.379 0.801 20 30 DCEDRP N#Cc1c(F)ccc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c1F ZINC001218913088 774325116 /nfs/dbraw/zinc/32/51/16/774325116.db2.gz IGXMNEGFRYROBD-RFAUZJTJSA-N 2 0 306.316 0.974 20 30 DCEDRP C=CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001219032291 774352556 /nfs/dbraw/zinc/35/25/56/774352556.db2.gz ZDODMQCKSKFYMH-OWCLPIDISA-N 2 0 323.437 0.052 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CCCO1 ZINC001200866798 774421847 /nfs/dbraw/zinc/42/18/47/774421847.db2.gz XVIKMDMXSFEBSZ-IRXDYDNUSA-N 2 0 321.465 0.947 20 30 DCEDRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+]CC#CCOC)CC1 ZINC001201320929 774487351 /nfs/dbraw/zinc/48/73/51/774487351.db2.gz BYBBNLLXILHUIW-UHFFFAOYSA-N 2 0 309.454 0.947 20 30 DCEDRP N#C[C@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)c1ccccc1 ZINC001219557469 774536502 /nfs/dbraw/zinc/53/65/02/774536502.db2.gz ANTDJWZOBZWAIU-CABCVRRESA-N 2 0 301.394 0.118 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCCO1 ZINC001201713330 774542472 /nfs/dbraw/zinc/54/24/72/774542472.db2.gz VSRLTRFBUQGUHX-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])Cc2cccc(C#N)c2)C1 ZINC001219641967 774570076 /nfs/dbraw/zinc/57/00/76/774570076.db2.gz NHHMXULEZWKHAL-MAZHCROVSA-N 2 0 300.406 0.790 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCCO[C@@H](C[NH2+]CC=C)C2)CC1 ZINC001202142446 774606350 /nfs/dbraw/zinc/60/63/50/774606350.db2.gz WGZMNGRMFQDLJQ-KRWDZBQOSA-N 2 0 319.449 0.725 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001202504637 774771622 /nfs/dbraw/zinc/77/16/22/774771622.db2.gz VEDNMIHCLOWSAK-DZGCQCFKSA-N 2 0 322.453 0.067 20 30 DCEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)CNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC001220868672 774939875 /nfs/dbraw/zinc/93/98/75/774939875.db2.gz ONIOJHVMPYBEBB-YDHLFZDLSA-N 2 0 310.442 0.243 20 30 DCEDRP COCC#CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001229058930 776154335 /nfs/dbraw/zinc/15/43/35/776154335.db2.gz YBOQVZPVCWYJSF-MRXNPFEDSA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001230262600 776270880 /nfs/dbraw/zinc/27/08/80/776270880.db2.gz JJGYJOAETPIEFN-KBPBESRZSA-N 2 0 322.453 0.209 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001317810985 945193871 /nfs/dbraw/zinc/19/38/71/945193871.db2.gz HPDOXRODSBYTQZ-SJORKVTESA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC[N@@H+](C)C[C@H]1CCCOC1 ZINC001480876146 939133284 /nfs/dbraw/zinc/13/32/84/939133284.db2.gz ZJWHIDCIXJPVHO-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001282929882 939170616 /nfs/dbraw/zinc/17/06/16/939170616.db2.gz URBIDQYBFKKSOY-GJZGRUSLSA-N 2 0 305.422 0.311 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001266822530 939246001 /nfs/dbraw/zinc/24/60/01/939246001.db2.gz ACJLNMLLHFUTRU-JKSUJKDBSA-N 2 0 307.438 0.416 20 30 DCEDRP CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001278369868 945255438 /nfs/dbraw/zinc/25/54/38/945255438.db2.gz AGJIFHQTYVNLTD-HUUCEWRRSA-N 2 0 317.437 0.661 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001278369867 945255516 /nfs/dbraw/zinc/25/55/16/945255516.db2.gz AGJIFHQTYVNLTD-GJZGRUSLSA-N 2 0 317.437 0.661 20 30 DCEDRP C#CCNC(=O)[C@@H](C)N1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001267634203 939604472 /nfs/dbraw/zinc/60/44/72/939604472.db2.gz KXWLLYNYOKKCNV-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCC[NH2+][C@H](CC)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001267809120 939686697 /nfs/dbraw/zinc/68/66/97/939686697.db2.gz FWMGBYZIBVITAW-OAHLLOKOSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]C[C@@H](C)OC)CC1 ZINC001267832169 939691676 /nfs/dbraw/zinc/69/16/76/939691676.db2.gz YFXIYVGAIHHIRA-GDBMZVCRSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001481522297 939913830 /nfs/dbraw/zinc/91/38/30/939913830.db2.gz DKYZNUKUKSHKFJ-QLFBSQMISA-N 2 0 322.453 0.352 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001268269752 940012869 /nfs/dbraw/zinc/01/28/69/940012869.db2.gz VQJJSASEMHXEBA-GJZGRUSLSA-N 2 0 322.453 0.163 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001268317442 940055329 /nfs/dbraw/zinc/05/53/29/940055329.db2.gz XTFKTGGDLPQYIO-AWEZNQCLSA-N 2 0 300.362 0.346 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)c2ccn(CC[NH+](C)C)n2)CCCC1 ZINC001481897097 940174899 /nfs/dbraw/zinc/17/48/99/940174899.db2.gz NWMZJZRCWHODJV-UHFFFAOYSA-N 2 0 317.437 0.710 20 30 DCEDRP C#CCC[NH2+]C/C=C\CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001268554350 940231923 /nfs/dbraw/zinc/23/19/23/940231923.db2.gz DRKMBWQNBSJNNY-SREVYHEPSA-N 2 0 307.438 0.630 20 30 DCEDRP C#CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001318300289 945314867 /nfs/dbraw/zinc/31/48/67/945314867.db2.gz XNIHSQRGGSXNKH-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001284737067 940807101 /nfs/dbraw/zinc/80/71/01/940807101.db2.gz KHRCKQVJYYCUJE-NWDGAFQWSA-N 2 0 305.344 0.940 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC#CCOC)CC[N@@H+]1C ZINC001482289571 940902737 /nfs/dbraw/zinc/90/27/37/940902737.db2.gz UUEYNDXPCQVSGE-HRCADAONSA-N 2 0 309.454 0.803 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001482761594 941659523 /nfs/dbraw/zinc/65/95/23/941659523.db2.gz JJCNXCVBMCFLKI-IRXDYDNUSA-N 2 0 321.465 0.874 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCCCO1 ZINC001483236979 942103172 /nfs/dbraw/zinc/10/31/72/942103172.db2.gz XBMUGXRRKGPUMA-JYJNAYRXSA-N 2 0 307.438 0.747 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1=O ZINC001483237316 942123119 /nfs/dbraw/zinc/12/31/19/942123119.db2.gz DTOATIIIOFPEDT-ZNMIVQPWSA-N 2 0 324.469 0.454 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483293997 942245544 /nfs/dbraw/zinc/24/55/44/942245544.db2.gz PWHRWDHGOQAEAH-LSDHHAIUSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001203214730 942492691 /nfs/dbraw/zinc/49/26/91/942492691.db2.gz NVXWOGVFAGMOBD-CQSZACIVSA-N 2 0 324.469 0.600 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001272330989 942691470 /nfs/dbraw/zinc/69/14/70/942691470.db2.gz AGIMYGNABHQLGH-JKSUJKDBSA-N 2 0 307.438 0.607 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001272413684 942740636 /nfs/dbraw/zinc/74/06/36/942740636.db2.gz HBXNIRDEBCGCHN-RDJZCZTQSA-N 2 0 321.465 0.731 20 30 DCEDRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001272582919 942847939 /nfs/dbraw/zinc/84/79/39/942847939.db2.gz DCKYJNTWNGBLCJ-QGZVFWFLSA-N 2 0 317.433 0.445 20 30 DCEDRP C#CCNC(=O)[C@H](C)N1CC[C@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001484065202 943132057 /nfs/dbraw/zinc/13/20/57/943132057.db2.gz SMMAYJBQEJSPMB-YOEHRIQHSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](CC)CC)CCOCC1 ZINC001484187048 943182310 /nfs/dbraw/zinc/18/23/10/943182310.db2.gz CKOFFWRPVUDYLO-HNNXBMFYSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001484876554 943608882 /nfs/dbraw/zinc/60/88/82/943608882.db2.gz FQXPVMRKRWVNCI-RBSFLKMASA-N 2 0 324.469 0.598 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001484938131 943628321 /nfs/dbraw/zinc/62/83/21/943628321.db2.gz VNZLWQLOTOVRTA-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001491235618 943854898 /nfs/dbraw/zinc/85/48/98/943854898.db2.gz FBEXJWRMJWBGHV-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP Cn1cc(C[N@@H+]2C[C@@H]3CCN(CC[NH+](C)C)[C@@H]3C2)cc1C#N ZINC001276463635 944181479 /nfs/dbraw/zinc/18/14/79/944181479.db2.gz XSKJPKCATOZYBR-DOTOQJQBSA-N 2 0 301.438 0.964 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001485883166 944378633 /nfs/dbraw/zinc/37/86/33/944378633.db2.gz ZUMYATIEOMGMDT-KGLIPLIRSA-N 2 0 322.453 0.045 20 30 DCEDRP C#CCNC(=O)C[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001316869997 944606407 /nfs/dbraw/zinc/60/64/07/944606407.db2.gz KYEKKHAISWFIKT-HNNXBMFYSA-N 2 0 322.453 0.048 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2cnoc2C)CC1 ZINC001317293487 944902625 /nfs/dbraw/zinc/90/26/25/944902625.db2.gz GQANAEBEDUNVGX-ZDUSSCGKSA-N 2 0 318.421 0.923 20 30 DCEDRP CC#CC[NH2+]C1CC(N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001486478123 944913793 /nfs/dbraw/zinc/91/37/93/944913793.db2.gz OPPSFDXPNHYZBC-UHFFFAOYSA-N 2 0 317.437 0.661 20 30 DCEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001317341442 944932502 /nfs/dbraw/zinc/93/25/02/944932502.db2.gz ACQSUCPYKMYGII-CVEARBPZSA-N 2 0 309.454 0.969 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001317396770 944954699 /nfs/dbraw/zinc/95/46/99/944954699.db2.gz QESKXMNZKGXNJL-JKSUJKDBSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCN1CCN(C)C2(CC[NH+]([C@@H]3CC[NH2+][C@H](C)C3)CC2)C1=O ZINC001246739028 945477302 /nfs/dbraw/zinc/47/73/02/945477302.db2.gz INYIJHRYXQPTDN-HZPDHXFCSA-N 2 0 320.481 0.922 20 30 DCEDRP N#CCC1CCC([N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001246924735 945517652 /nfs/dbraw/zinc/51/76/52/945517652.db2.gz JGYPMTGTEAGPIP-UHFFFAOYSA-N 3 0 309.458 0.575 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CCOCC1 ZINC001278734002 946149163 /nfs/dbraw/zinc/14/91/63/946149163.db2.gz PRAHJLCOYZFIOS-OAHLLOKOSA-N 2 0 307.438 0.749 20 30 DCEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(C#N)s1 ZINC001410580855 946592930 /nfs/dbraw/zinc/59/29/30/946592930.db2.gz GNPYVSTXJKBLHB-RISCZKNCSA-N 2 0 322.434 0.281 20 30 DCEDRP CC#CC[N@H+](C)CCN(C(=O)CCN1CCOCC1)C(C)C ZINC001278922050 946601745 /nfs/dbraw/zinc/60/17/45/946601745.db2.gz GTWREVZODIJKGI-UHFFFAOYSA-N 2 0 309.454 0.901 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001279027950 946749926 /nfs/dbraw/zinc/74/99/26/946749926.db2.gz KMMGHLLRRLTCMU-KBPBESRZSA-N 2 0 324.469 0.361 20 30 DCEDRP C=CCC[C@@H](C)[NH+]1CC(O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001325275341 947734877 /nfs/dbraw/zinc/73/48/77/947734877.db2.gz YGIYOBHTAWGSOE-LSDHHAIUSA-N 2 0 309.454 0.846 20 30 DCEDRP C=CCCN1CC(O)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001325318183 947754224 /nfs/dbraw/zinc/75/42/24/947754224.db2.gz IUCOLKBFOQZUOK-HNNXBMFYSA-N 2 0 309.454 0.846 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179485852 947851047 /nfs/dbraw/zinc/85/10/47/947851047.db2.gz BKTWUEBKDZADEZ-RDBSUJKOSA-N 2 0 310.442 0.208 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H]1C ZINC001179561150 947862521 /nfs/dbraw/zinc/86/25/21/947862521.db2.gz DBVVEXDCTZIHAW-PMPSAXMXSA-N 2 0 307.438 0.700 20 30 DCEDRP CCN(CC[NH2+]CC#CCOC)C(=O)C12CCC[NH+]1CCC2 ZINC001273483327 947921117 /nfs/dbraw/zinc/92/11/17/947921117.db2.gz IJVWZMVPFZIHKL-UHFFFAOYSA-N 2 0 307.438 0.703 20 30 DCEDRP CN1CC[NH+](CC2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)CC1 ZINC001326486387 948178789 /nfs/dbraw/zinc/17/87/89/948178789.db2.gz MQWKJAOQNDDJDV-MRXNPFEDSA-N 2 0 321.469 0.494 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCO1 ZINC001326987941 948352985 /nfs/dbraw/zinc/35/29/85/948352985.db2.gz HIKULWDZCQCWFD-SJORKVTESA-N 2 0 319.449 0.844 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)CCO1 ZINC001327078133 948389148 /nfs/dbraw/zinc/38/91/48/948389148.db2.gz CEJMQXMWQOXBAW-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001273877498 948648795 /nfs/dbraw/zinc/64/87/95/948648795.db2.gz VYYHCINAMNMLEF-WMZOPIPTSA-N 2 0 319.449 0.295 20 30 DCEDRP C=CCC[NH2+]CC1(O)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001328208317 948746119 /nfs/dbraw/zinc/74/61/19/948746119.db2.gz YLCFPOBYMKKZAC-HNNXBMFYSA-N 2 0 309.454 0.847 20 30 DCEDRP CC#CC[NH+]1CCC(CO)(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001328559048 948961217 /nfs/dbraw/zinc/96/12/17/948961217.db2.gz QNTHXPSHWDUUQZ-UHFFFAOYSA-N 2 0 321.465 0.829 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001264492468 948986036 /nfs/dbraw/zinc/98/60/36/948986036.db2.gz RZFCULUSIPBTHK-JKSUJKDBSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001264580028 949008078 /nfs/dbraw/zinc/00/80/78/949008078.db2.gz IWAWDUAYAGDUDR-ZDUSSCGKSA-N 2 0 317.393 0.006 20 30 DCEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001265200478 949429181 /nfs/dbraw/zinc/42/91/81/949429181.db2.gz SACDQSNMMXUPCI-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCOC)C2)CC1 ZINC001265318864 949601143 /nfs/dbraw/zinc/60/11/43/949601143.db2.gz FGDUUXTUZBMTFZ-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1COCCN1C1CCCC1 ZINC001329514624 949650271 /nfs/dbraw/zinc/65/02/71/949650271.db2.gz FREBJLFATYSASV-ZBFHGGJFSA-N 2 0 307.438 0.700 20 30 DCEDRP C=CCOCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001265596771 949802727 /nfs/dbraw/zinc/80/27/27/949802727.db2.gz KAAAIFRUMMPIIB-HOTGVXAUSA-N 2 0 309.454 0.969 20 30 DCEDRP COCC#CC[NH+]1CCC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001490420700 950684545 /nfs/dbraw/zinc/68/45/45/950684545.db2.gz CRNRFJJTVSUCTN-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP CC#CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1 ZINC001273974141 951205477 /nfs/dbraw/zinc/20/54/77/951205477.db2.gz CPEOVAVJWPUAAE-HUUCEWRRSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001281459096 951507404 /nfs/dbraw/zinc/50/74/04/951507404.db2.gz SYZGEWNGVHSJOH-KBPBESRZSA-N 2 0 310.442 0.067 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001281676992 951596499 /nfs/dbraw/zinc/59/64/99/951596499.db2.gz SDKMGSPVSDRYRX-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001332341507 951596779 /nfs/dbraw/zinc/59/67/79/951596779.db2.gz PYEQCXFMYODUJU-JKSUJKDBSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001274825193 951846349 /nfs/dbraw/zinc/84/63/49/951846349.db2.gz NIJWOTDRCQQUOO-HZPDHXFCSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001332986005 951874391 /nfs/dbraw/zinc/87/43/91/951874391.db2.gz XAGIYCLEVPPBBD-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH2+]CC1CC(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001275323800 952061651 /nfs/dbraw/zinc/06/16/51/952061651.db2.gz MGACCSULUOLGGE-QQFBHYJXSA-N 2 0 307.438 0.462 20 30 DCEDRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C#CC3CC[NH2+]CC3)C2)C1 ZINC001347157770 954033550 /nfs/dbraw/zinc/03/35/50/954033550.db2.gz SIXHZWZBWUTGIE-ZACQAIPSSA-N 2 0 319.449 0.734 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCO)C2)CC1 ZINC001284243566 954956322 /nfs/dbraw/zinc/95/63/22/954956322.db2.gz HMNWOBAEVVIHQK-ZBFHGGJFSA-N 2 0 307.438 0.198 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001350405989 955085553 /nfs/dbraw/zinc/08/55/53/955085553.db2.gz XOMORKYRJPTUJN-INIZCTEOSA-N 2 0 319.449 0.607 20 30 DCEDRP C#CC[NH2+]CCOCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001284868705 955277244 /nfs/dbraw/zinc/27/72/44/955277244.db2.gz DWVCVUYGDBNTNK-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP CC#CC[NH2+]CCOCCN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001284878839 955286778 /nfs/dbraw/zinc/28/67/78/955286778.db2.gz WGIHOXPCACZAED-KRWDZBQOSA-N 2 0 307.438 0.560 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001376871009 959026848 /nfs/dbraw/zinc/02/68/48/959026848.db2.gz ZEHCFWKSVUMAIV-OLZOCXBDSA-N 2 0 301.818 0.508 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001527667806 1015520093 /nfs/dbraw/zinc/52/00/93/1015520093.db2.gz QMCQMWSOXUXLAV-HOCLYGCPSA-N 2 0 306.454 0.531 20 30 DCEDRP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001507206601 1016124721 /nfs/dbraw/zinc/12/47/21/1016124721.db2.gz PLCUQFWRKJFXAH-DLBZAZTESA-N 2 0 317.433 0.445 20 30 DCEDRP CC#CC[NH2+]CC1CC(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001505536012 1016290671 /nfs/dbraw/zinc/29/06/71/1016290671.db2.gz IVCDUTSNSIZAQM-QQFBHYJXSA-N 2 0 307.438 0.462 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001507429036 1016321480 /nfs/dbraw/zinc/32/14/80/1016321480.db2.gz YUBDMZPGQBCSLP-JKSUJKDBSA-N 2 0 307.438 0.607 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001507511381 1016440521 /nfs/dbraw/zinc/44/05/21/1016440521.db2.gz LMSOMSAKMJIZJG-INIZCTEOSA-N 2 0 309.454 0.539 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001420131645 1001921192 /nfs/dbraw/zinc/92/11/92/1001921192.db2.gz CNKZVFNDQXUYCX-QWHCGFSZSA-N 2 0 303.834 0.680 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N1CCN(c2ccccn2)CC1 ZINC001471629070 1016608880 /nfs/dbraw/zinc/60/88/80/1016608880.db2.gz HAQFPPJDTWOQRT-UHFFFAOYSA-N 2 0 301.394 0.478 20 30 DCEDRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2([NH2+]CC#CCOC)CC2)C1 ZINC001499324749 1017852190 /nfs/dbraw/zinc/85/21/90/1017852190.db2.gz NDJJDTLFSBFOEF-INIZCTEOSA-N 2 0 321.465 0.997 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001497418102 1018124311 /nfs/dbraw/zinc/12/43/11/1018124311.db2.gz NQGMQVUKQQXUMF-CQSZACIVSA-N 2 0 310.442 0.211 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001499954900 1018150238 /nfs/dbraw/zinc/15/02/38/1018150238.db2.gz JQBOCNOBGYMJOM-AWEZNQCLSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)c2cnn(CC[NH+](C)C)c2)CCCC1 ZINC001495201057 1018390933 /nfs/dbraw/zinc/39/09/33/1018390933.db2.gz JCPAYUZOCJNRKN-UHFFFAOYSA-N 2 0 317.437 0.710 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001497894761 1018503357 /nfs/dbraw/zinc/50/33/57/1018503357.db2.gz GQAQCKLUQIGABW-KGLIPLIRSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCOCC1 ZINC001500589968 1018504325 /nfs/dbraw/zinc/50/43/25/1018504325.db2.gz WMEAHGIOKQQNIU-HZPDHXFCSA-N 2 0 319.449 0.892 20 30 DCEDRP C=CCC[NH+]1CC[C@](O)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001500686804 1018581243 /nfs/dbraw/zinc/58/12/43/1018581243.db2.gz LVKZWKUNHDEQOF-RDJZCZTQSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CC[N@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001500750985 1018630854 /nfs/dbraw/zinc/63/08/54/1018630854.db2.gz ODRHTSQTXFPUII-GOSISDBHSA-N 2 0 319.449 0.295 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001480538070 1018638307 /nfs/dbraw/zinc/63/83/07/1018638307.db2.gz STZITNYTMWKZQJ-KBPBESRZSA-N 2 0 324.469 0.197 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC#CCOC)C[C@@H]2C1 ZINC001501240007 1018977267 /nfs/dbraw/zinc/97/72/67/1018977267.db2.gz CYWKNOXTOLXEJQ-IYBDPMFKSA-N 2 0 307.438 0.368 20 30 DCEDRP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001501647258 1019352889 /nfs/dbraw/zinc/35/28/89/1019352889.db2.gz FGYCYAOIQSVPOP-IAGOWNOFSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001501647520 1019353462 /nfs/dbraw/zinc/35/34/62/1019353462.db2.gz JXWRUFXDMNFOIH-JKSUJKDBSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)CCO1 ZINC001502056308 1019667849 /nfs/dbraw/zinc/66/78/49/1019667849.db2.gz URRMCYFNYFZQRL-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP COCCNC(=[NH2+])NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000180446954 237257718 /nfs/dbraw/zinc/25/77/18/237257718.db2.gz IHRDITBXTKUISC-OAHLLOKOSA-N 2 0 306.410 0.304 20 30 DCEDRP CN(C)C(=O)CNC(=[NH+]C1CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262334429 238172615 /nfs/dbraw/zinc/17/26/15/238172615.db2.gz VREGGBGNTRFLAY-CQSZACIVSA-N 2 0 305.426 0.129 20 30 DCEDRP C[C@@H]1C[NH+]=C(NCc2cccc(C(=O)NCC[NH+](C)C)c2)N1 ZINC000262644690 238177987 /nfs/dbraw/zinc/17/79/87/238177987.db2.gz IUFPKBHIBNEZGK-GFCCVEGCSA-N 2 0 303.410 0.415 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000279067387 396151132 /nfs/dbraw/zinc/15/11/32/396151132.db2.gz TUFWQYLNAQBVEY-LBPRGKRZSA-N 2 0 303.410 0.867 20 30 DCEDRP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2)C1 ZINC000598595233 397253200 /nfs/dbraw/zinc/25/32/00/397253200.db2.gz HFNSAOBPCHRIGM-HOTGVXAUSA-N 2 0 308.470 0.999 20 30 DCEDRP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736837 397436265 /nfs/dbraw/zinc/43/62/65/397436265.db2.gz MUVQAWDDVMTROG-MELADBBJSA-N 2 0 324.425 0.217 20 30 DCEDRP N#Cc1ccc(CC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cn1 ZINC000602605175 397447569 /nfs/dbraw/zinc/44/75/69/397447569.db2.gz YYJNGSSTFACJCV-UHFFFAOYSA-N 2 0 322.372 0.939 20 30 DCEDRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000593964741 397487164 /nfs/dbraw/zinc/48/71/64/397487164.db2.gz MOUCJXYTJWXZQN-UHFFFAOYSA-N 2 0 315.421 0.843 20 30 DCEDRP COC[C@@H](C)NC(=[NH2+])NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000104163599 415623834 /nfs/dbraw/zinc/62/38/34/415623834.db2.gz ZDNBBDGOJWSNGJ-CYBMUJFWSA-N 2 0 320.441 0.273 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC)CC1 ZINC000343745506 415708819 /nfs/dbraw/zinc/70/88/19/415708819.db2.gz ZUGZJNBZBLIYFG-OAHLLOKOSA-N 2 0 322.453 0.354 20 30 DCEDRP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344009543 415817710 /nfs/dbraw/zinc/81/77/10/415817710.db2.gz AZQRSGNRGCNXQR-OAHLLOKOSA-N 2 0 323.485 0.753 20 30 DCEDRP C[C@@H](C(=O)N(C)CCC#N)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000126410904 415873474 /nfs/dbraw/zinc/87/34/74/415873474.db2.gz QHNGNGXTBOMNQE-HNNXBMFYSA-N 2 0 323.485 0.705 20 30 DCEDRP C[NH+]=C(NCCn1ccnc1C)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261769851 416335510 /nfs/dbraw/zinc/33/55/10/416335510.db2.gz NWWNTBJMRNYLDC-WFASDCNBSA-N 2 0 304.442 0.839 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](OC)C(C)(C)C2)CC1 ZINC000491667888 416611173 /nfs/dbraw/zinc/61/11/73/416611173.db2.gz YEKPYFWBJHHXBP-OAHLLOKOSA-N 2 0 307.438 0.511 20 30 DCEDRP CCOCC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@@H]1CC ZINC000424142115 416615802 /nfs/dbraw/zinc/61/58/02/416615802.db2.gz HXDXLGXPIUUDDS-GJZGRUSLSA-N 2 0 310.442 0.967 20 30 DCEDRP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000491794823 416628343 /nfs/dbraw/zinc/62/83/43/416628343.db2.gz SWEYHYBBUZPDGT-HNNXBMFYSA-N 2 0 324.469 0.428 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000352903113 336375489 /nfs/dbraw/zinc/37/54/89/336375489.db2.gz YCVZBIVBWQZMTF-LSDHHAIUSA-N 2 0 324.469 0.733 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)CC1 ZINC000352903093 336375542 /nfs/dbraw/zinc/37/55/42/336375542.db2.gz YCVZBIVBWQZMTF-CABCVRRESA-N 2 0 324.469 0.733 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182982226 340486022 /nfs/dbraw/zinc/48/60/22/340486022.db2.gz ZEUUQZFVQASNGU-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C[NH+]=C(NCC1(CO)CCOCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262017263 526350037 /nfs/dbraw/zinc/35/00/37/526350037.db2.gz YBBNLFDCMCVLLU-DZGCQCFKSA-N 2 0 324.469 0.423 20 30 DCEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261878148 526373416 /nfs/dbraw/zinc/37/34/16/526373416.db2.gz VYXOEMGEQKGZPX-MCIONIFRSA-N 2 0 311.474 0.211 20 30 DCEDRP C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261972104 526382351 /nfs/dbraw/zinc/38/23/51/526382351.db2.gz NATOWGWORULOOB-ZWNOBZJWSA-N 2 0 319.409 0.526 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[NH+](CC)CC)CC1 ZINC000283750857 526416698 /nfs/dbraw/zinc/41/66/98/526416698.db2.gz ONBCHYLBZUAHTL-UHFFFAOYSA-N 2 0 310.442 0.211 20 30 DCEDRP C=CC[NH+]=C(NCC(=O)N(C)C)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262330662 526956298 /nfs/dbraw/zinc/95/62/98/526956298.db2.gz UXCGNMXRKJHSBO-AWEZNQCLSA-N 2 0 305.426 0.152 20 30 DCEDRP CC[NH+]=C(NCc1ccn(C)c1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000262012209 528828363 /nfs/dbraw/zinc/82/83/63/528828363.db2.gz QWOBGKCYRLAOOM-HNNXBMFYSA-N 2 0 304.442 0.080 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(N)=O)cc1 ZINC000264055107 529075020 /nfs/dbraw/zinc/07/50/20/529075020.db2.gz ALGYFMOZIYZBAK-CQSZACIVSA-N 2 0 303.410 0.674 20 30 DCEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)N2CCOCC2)C1 ZINC000980454781 660945755 /nfs/dbraw/zinc/94/57/55/660945755.db2.gz YZURQBBRNUHCEV-JKSUJKDBSA-N 2 0 307.438 0.816 20 30 DCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2cccnc2)N(C)C)C1 ZINC000980501828 660950126 /nfs/dbraw/zinc/95/01/26/660950126.db2.gz DIMZIZXSZGKLNA-CVEARBPZSA-N 2 0 300.406 0.850 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028036920 661093643 /nfs/dbraw/zinc/09/36/43/661093643.db2.gz IZDUOYBOTXNJBN-BNQMIIOLSA-N 2 0 317.433 0.454 20 30 DCEDRP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028037510 661093840 /nfs/dbraw/zinc/09/38/40/661093840.db2.gz ZITVLYAGHIPDKI-GWUWNPHMSA-N 2 0 303.406 0.063 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]C[C@H]3CCOC3)C2)CC1 ZINC000970792806 657909894 /nfs/dbraw/zinc/90/98/94/657909894.db2.gz XHQDDFBAFGRQMN-NVXWUHKLSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+]([C@@H](C)COC)C2)CC1 ZINC000970922631 658084056 /nfs/dbraw/zinc/08/40/56/658084056.db2.gz ZUIBSEJTMCEVCX-GJZGRUSLSA-N 2 0 321.465 0.803 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](CCO)C2)CC1 ZINC001023761918 658216620 /nfs/dbraw/zinc/21/66/20/658216620.db2.gz MHSVXKCQMHGUDR-OAHLLOKOSA-N 2 0 307.438 0.152 20 30 DCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001028546392 661605023 /nfs/dbraw/zinc/60/50/23/661605023.db2.gz UGFGPISUQZREDJ-CQSZACIVSA-N 2 0 303.410 0.130 20 30 DCEDRP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698227 661764821 /nfs/dbraw/zinc/76/48/21/661764821.db2.gz DLHAUUHKUYBMRE-JBCIKUTRSA-N 2 0 319.449 0.864 20 30 DCEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000985443374 662449225 /nfs/dbraw/zinc/44/92/25/662449225.db2.gz USBDMGUSJAQQGT-JKSUJKDBSA-N 2 0 307.438 0.958 20 30 DCEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000985443370 662449334 /nfs/dbraw/zinc/44/93/34/662449334.db2.gz USBDMGUSJAQQGT-CVEARBPZSA-N 2 0 307.438 0.958 20 30 DCEDRP C#CC[N@@H+](C)C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000985721622 662505365 /nfs/dbraw/zinc/50/53/65/662505365.db2.gz RFUDFAHXUIGDLM-UHFFFAOYSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CC[N@H+]1CC=C(CNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001000691842 665911130 /nfs/dbraw/zinc/91/11/30/665911130.db2.gz BDDRQZGACVEYMG-UHFFFAOYSA-N 2 0 317.437 0.993 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000911235615 664008832 /nfs/dbraw/zinc/00/88/32/664008832.db2.gz GGCACZBYUOWKPJ-AWEZNQCLSA-N 2 0 322.453 0.339 20 30 DCEDRP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCC#CC[NH+](C)C)cn1 ZINC000913523649 664334936 /nfs/dbraw/zinc/33/49/36/664334936.db2.gz HKPFTNIYPKKGBB-HZPDHXFCSA-N 2 0 317.437 0.137 20 30 DCEDRP CC(C)[NH+]1CCN(CCCC(=O)NCC#CC[NH+](C)C)CC1 ZINC000913523163 664335146 /nfs/dbraw/zinc/33/51/46/664335146.db2.gz NXTNHXMOIFOVSS-UHFFFAOYSA-N 2 0 308.470 0.474 20 30 DCEDRP C#Cc1ccc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)nc1 ZINC000732779475 664960441 /nfs/dbraw/zinc/96/04/41/664960441.db2.gz SYBXILJRAXHGRZ-OAHLLOKOSA-N 2 0 312.417 0.961 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCOC)[C@@H]2C)CC1 ZINC000994493566 665116550 /nfs/dbraw/zinc/11/65/50/665116550.db2.gz DTJKKORRUHDXMS-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](C[NH+](C)C)OCC)CC1 ZINC000917141715 665118906 /nfs/dbraw/zinc/11/89/06/665118906.db2.gz HVFMRENEFQYIPP-OAHLLOKOSA-N 2 0 312.458 0.903 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC#C)C[C@H]2C)CC1 ZINC000945184205 666580361 /nfs/dbraw/zinc/58/03/61/666580361.db2.gz VNFOIZLXVAXIOP-WBVHZDCISA-N 2 0 301.434 0.791 20 30 DCEDRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)CCc1cccc(C#N)c1 ZINC000866697638 667388109 /nfs/dbraw/zinc/38/81/09/667388109.db2.gz DQVCEUXDPTUWGB-UHFFFAOYSA-N 2 0 300.406 0.854 20 30 DCEDRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884192989 667494860 /nfs/dbraw/zinc/49/48/60/667494860.db2.gz SQXNFMRFZWUOOP-BOLLXYOYSA-N 2 0 304.438 0.926 20 30 DCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[C@H]([NH+]3CCCC3)C1)C2 ZINC000884209532 667499817 /nfs/dbraw/zinc/49/98/17/667499817.db2.gz CCCWJYZWBPRMEY-GWUWNPHMSA-N 2 0 302.422 0.822 20 30 DCEDRP CCO[C@H](CC[NH+](C)C)CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884229937 667505708 /nfs/dbraw/zinc/50/57/08/667505708.db2.gz FLDRTIZVPBCIMC-GYMHETDLSA-N 2 0 322.453 0.599 20 30 DCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000867974223 667522443 /nfs/dbraw/zinc/52/24/43/667522443.db2.gz GNPPLJGNYUJSGN-KCQAQPDRSA-N 2 0 302.353 0.561 20 30 DCEDRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C1CC3(C1)C[NH2+]C[C@@H]3C#N)C2 ZINC000884442289 667546428 /nfs/dbraw/zinc/54/64/28/667546428.db2.gz AYNFAXBPVYBAOV-YSXDYPPWSA-N 2 0 302.422 0.584 20 30 DCEDRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@]2(C#N)CCCOC2)C[C@H]1C[NH+](C)C ZINC000870024694 667699345 /nfs/dbraw/zinc/69/93/45/667699345.db2.gz FYYHWZJIORCDNR-BFYDXBDKSA-N 2 0 322.453 0.505 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](C)N(C)C(=O)C(=C)C[NH+](C)C ZINC000764507601 668451362 /nfs/dbraw/zinc/45/13/62/668451362.db2.gz QKRCUKZKYJKQKZ-CQSZACIVSA-N 2 0 310.442 0.185 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000764667469 668457477 /nfs/dbraw/zinc/45/74/77/668457477.db2.gz RPJBIQDBRBWUOY-KRWDZBQOSA-N 2 0 317.433 0.987 20 30 DCEDRP COCC[N@H+](C)CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876746171 668501039 /nfs/dbraw/zinc/50/10/39/668501039.db2.gz UWQDDXLLVKQKFM-INIZCTEOSA-N 2 0 316.405 0.439 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000876771812 668507186 /nfs/dbraw/zinc/50/71/86/668507186.db2.gz ZRVUIBAOCVXTTA-CYBMUJFWSA-N 2 0 301.818 0.780 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000876780378 668509532 /nfs/dbraw/zinc/50/95/32/668509532.db2.gz GAPWMORMYXOUDP-CYBMUJFWSA-N 2 0 302.850 0.600 20 30 DCEDRP C[NH2+]CCOCCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877023680 668553342 /nfs/dbraw/zinc/55/33/42/668553342.db2.gz ALDRLDWTSVCUJZ-HNNXBMFYSA-N 2 0 302.378 0.097 20 30 DCEDRP C#CC1(O)CC[NH+](C/C=C/C[NH+]2CCC(O)(C#C)CC2)CC1 ZINC000931150547 669143029 /nfs/dbraw/zinc/14/30/29/669143029.db2.gz GDGIZYOXZYKERG-AATRIKPKSA-N 2 0 302.418 0.463 20 30 DCEDRP C#CCC(CC#C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000881019687 669286741 /nfs/dbraw/zinc/28/67/41/669286741.db2.gz DRCUVKRSTURFAA-IAGOWNOFSA-N 2 0 303.450 0.847 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCCC[N@H+]1C)CCO2 ZINC000949123401 670264999 /nfs/dbraw/zinc/26/49/99/670264999.db2.gz ANPSRTXZOUVXTD-INIZCTEOSA-N 2 0 319.449 0.797 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC000949244501 670295854 /nfs/dbraw/zinc/29/58/54/670295854.db2.gz KPTMHQMEIZOOJM-OAHLLOKOSA-N 2 0 305.422 0.265 20 30 DCEDRP C[NH+]=C(NCCN1CC[N@H+](C)C(C)(C)C1)NCc1ccco1 ZINC000849026945 670751109 /nfs/dbraw/zinc/75/11/09/670751109.db2.gz ZPDLKYLDTSOEST-UHFFFAOYSA-N 2 0 307.442 0.971 20 30 DCEDRP C#CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000819304481 671109518 /nfs/dbraw/zinc/10/95/18/671109518.db2.gz GPXRPLZJIVMWIP-RBUKOAKNSA-N 2 0 315.461 0.819 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000834494542 671765052 /nfs/dbraw/zinc/76/50/52/671765052.db2.gz NYDJBXFCHFZYPN-BZUAXINKSA-N 2 0 313.405 0.521 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000303881353 685208506 /nfs/dbraw/zinc/20/85/06/685208506.db2.gz KVCLVIOTZNQSDE-HZPDHXFCSA-N 3 0 324.517 0.259 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038534482 694108928 /nfs/dbraw/zinc/10/89/28/694108928.db2.gz HREHUNFFIBRRNA-GYMHETDLSA-N 2 0 303.406 0.063 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC000958554935 687741720 /nfs/dbraw/zinc/74/17/20/687741720.db2.gz JCSMTWJFBFBGPH-IAGOWNOFSA-N 2 0 321.465 0.539 20 30 DCEDRP C#CC[N@H+]1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[C@H](O)C1 ZINC000958729254 687882262 /nfs/dbraw/zinc/88/22/62/687882262.db2.gz TUKUTQDVDMGNMG-NVXWUHKLSA-N 2 0 315.417 0.404 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001020028527 693654319 /nfs/dbraw/zinc/65/43/19/693654319.db2.gz BPHLZGKCHJWRRH-ZQDZILKHSA-N 2 0 320.437 0.104 20 30 DCEDRP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC001072760646 694661342 /nfs/dbraw/zinc/66/13/42/694661342.db2.gz JHDMEPUDKOZFIB-HOTGVXAUSA-N 2 0 319.449 0.960 20 30 DCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001072914114 694683382 /nfs/dbraw/zinc/68/33/82/694683382.db2.gz VFCZGDKTBQLJEO-INIZCTEOSA-N 2 0 319.449 0.653 20 30 DCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001072914115 694683460 /nfs/dbraw/zinc/68/34/60/694683460.db2.gz VFCZGDKTBQLJEO-MRXNPFEDSA-N 2 0 319.449 0.653 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC)CCCO2)CC1 ZINC001073899173 694798608 /nfs/dbraw/zinc/79/86/08/694798608.db2.gz MSFXESRRNDHEMR-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001074757110 694920970 /nfs/dbraw/zinc/92/09/70/694920970.db2.gz ITUFQNVFGVHHHQ-MLURZJSDSA-N 2 0 303.406 0.062 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001571456914 1162768473 /nfs/dbraw/zinc/76/84/73/1162768473.db2.gz LLLNROLDKQKBCC-DZGCQCFKSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001571492131 1162781615 /nfs/dbraw/zinc/78/16/15/1162781615.db2.gz ZZSRCHRHAJZIRM-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001676423836 1175445316 /nfs/dbraw/zinc/44/53/16/1175445316.db2.gz KJPKOGYGRDNUBH-UONOGXRCSA-N 2 0 310.442 0.067 20 30 DCEDRP C=CCOCC[N@@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001691106037 1157582517 /nfs/dbraw/zinc/58/25/17/1157582517.db2.gz PHZQJOHXGVAXQE-HNNXBMFYSA-N 2 0 307.438 0.865 20 30 DCEDRP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001692245006 1157720157 /nfs/dbraw/zinc/72/01/57/1157720157.db2.gz KSGBERUSOLYCSM-OAHLLOKOSA-N 2 0 305.422 0.001 20 30 DCEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001752310345 1157909524 /nfs/dbraw/zinc/90/95/24/1157909524.db2.gz LNOMTMVDRMWJBP-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP C=C(C)C[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001691524925 1158201234 /nfs/dbraw/zinc/20/12/34/1158201234.db2.gz OOAQZMQDSRMIDW-HZPDHXFCSA-N 2 0 309.454 0.942 20 30 DCEDRP C=CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001691536079 1158319348 /nfs/dbraw/zinc/31/93/48/1158319348.db2.gz POPAEHGZFDDNFQ-INIZCTEOSA-N 2 0 309.454 0.944 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001691621121 1158360725 /nfs/dbraw/zinc/36/07/25/1158360725.db2.gz PSGYLPKAUFYVTL-JKSUJKDBSA-N 2 0 321.465 0.853 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC#CCOC)CC[C@@H]2C1 ZINC001566052115 1159870339 /nfs/dbraw/zinc/87/03/39/1159870339.db2.gz QZEYJASEVOMDRA-SJORKVTESA-N 2 0 321.465 0.758 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001566913110 1160182263 /nfs/dbraw/zinc/18/22/63/1160182263.db2.gz LPWPJUJGWWFDGY-DLBZAZTESA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]C[C@H](C)OC)C2)CC1 ZINC001567109417 1160243028 /nfs/dbraw/zinc/24/30/28/1160243028.db2.gz LRFDFSPXBVHHAW-HOCLYGCPSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567402694 1160350471 /nfs/dbraw/zinc/35/04/71/1160350471.db2.gz GRSLUTMNRUEOJN-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001567701133 1160459079 /nfs/dbraw/zinc/45/90/79/1160459079.db2.gz CLXZZCVMDBDGPY-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP CCN(CC[NH2+]CC#CCOC)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001568800653 1160778038 /nfs/dbraw/zinc/77/80/38/1160778038.db2.gz NPQMNBBSIJKOMG-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC#CCOC)C[C@H]1C ZINC001569526749 1161087794 /nfs/dbraw/zinc/08/77/94/1161087794.db2.gz LVBWGWRNCXVBMO-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP CC[C@@H](C(=O)NC1(C)CC[NH+](CC#CCOC)CC1)[NH+](C)C ZINC001569577402 1161154373 /nfs/dbraw/zinc/15/43/73/1161154373.db2.gz QFIBAYNJJATTCH-HNNXBMFYSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCCC[N@H+]1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001569750927 1161222542 /nfs/dbraw/zinc/22/25/42/1161222542.db2.gz HBHHHWAPBAEQLS-MRXNPFEDSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC001569837221 1161282989 /nfs/dbraw/zinc/28/29/89/1161282989.db2.gz MKAVACLMFSXOFF-GJZGRUSLSA-N 2 0 317.437 0.376 20 30 DCEDRP C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)Cn3ccnc3C)C[C@H]2C1 ZINC001569882039 1161293096 /nfs/dbraw/zinc/29/30/96/1161293096.db2.gz MSOXLTOHSDFUJR-IYBDPMFKSA-N 2 0 318.421 0.784 20 30 DCEDRP CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC001575699753 1164110751 /nfs/dbraw/zinc/11/07/51/1164110751.db2.gz KPWXHBOZFCAAJN-AWEZNQCLSA-N 2 0 310.442 0.749 20 30 DCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H](O)C[NH3+] ZINC001578417254 1165006781 /nfs/dbraw/zinc/00/67/81/1165006781.db2.gz SXSXMWBPOWWUKK-OAHLLOKOSA-N 2 0 304.394 0.158 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC001580043148 1165483217 /nfs/dbraw/zinc/48/32/17/1165483217.db2.gz JEPDXXWBAKTTSO-CLPSQLOGSA-N 2 0 302.422 0.869 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC001626449428 1171481473 /nfs/dbraw/zinc/48/14/73/1171481473.db2.gz MOXVHYYZONYVNK-MRXNPFEDSA-N 3 0 310.486 0.979 20 30 DCEDRP C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC[C@H]21 ZINC001646151430 1172275093 /nfs/dbraw/zinc/27/50/93/1172275093.db2.gz HILLAIXOYUASMG-LQCZDEPNSA-N 2 0 302.422 0.678 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001660892690 1174064433 /nfs/dbraw/zinc/06/44/33/1174064433.db2.gz QKMVESFBVZZFLY-UHFFFAOYSA-N 2 0 320.481 0.618 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001662651239 1174228857 /nfs/dbraw/zinc/22/88/57/1174228857.db2.gz WIPOHCZZABWMLX-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CCOCC)CC1 ZINC001667058894 1174659489 /nfs/dbraw/zinc/65/94/89/1174659489.db2.gz LCTVHLCKBCGEJP-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001667940271 1174736845 /nfs/dbraw/zinc/73/68/45/1174736845.db2.gz YLOJSNFOHQIWMF-HZPDHXFCSA-N 2 0 309.454 0.587 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001669981173 1174967398 /nfs/dbraw/zinc/96/73/98/1174967398.db2.gz NXVARDYLIRVHBZ-IRXDYDNUSA-N 2 0 321.465 0.997 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001672043955 1175070270 /nfs/dbraw/zinc/07/02/70/1175070270.db2.gz DSHCJIRJXXJWNJ-KRWDZBQOSA-N 2 0 309.454 0.992 20 30 DCEDRP C=CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001672487395 1175115133 /nfs/dbraw/zinc/11/51/33/1175115133.db2.gz TUORZUNUOXEEEF-AEFFLSMTSA-N 2 0 321.465 0.847 20 30 DCEDRP CC#CC[N@H+](C)CCCN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001673475192 1175205166 /nfs/dbraw/zinc/20/51/66/1175205166.db2.gz VDNIDOHOWZGGMF-UHFFFAOYSA-N 2 0 319.453 0.862 20 30 DCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001673709571 1175226984 /nfs/dbraw/zinc/22/69/84/1175226984.db2.gz SNDKUIJFOJZLBJ-NVXWUHKLSA-N 2 0 309.454 0.990 20 30 DCEDRP C=C(C)C[NH+]1CCC(CO)(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001674310941 1175268568 /nfs/dbraw/zinc/26/85/68/1175268568.db2.gz IAVYJDUBNWAQGF-UHFFFAOYSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CCC[NH2+]CC1CC(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001674587406 1175284741 /nfs/dbraw/zinc/28/47/41/1175284741.db2.gz HRQYVMNQNMINRP-UHFFFAOYSA-N 2 0 317.437 0.566 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCOC)C[C@@H]2C)CC1 ZINC001676784612 1175489734 /nfs/dbraw/zinc/48/97/34/1175489734.db2.gz XZLOJYQGNFGFDB-GOEBONIOSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001677448419 1175564893 /nfs/dbraw/zinc/56/48/93/1175564893.db2.gz IEARMASOYAPMLY-WLYUNCDWSA-N 2 0 322.453 0.044 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001688904954 1176652411 /nfs/dbraw/zinc/65/24/11/1176652411.db2.gz GPCPLDPYBYJLMX-IYBDPMFKSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCO)CC1 ZINC001689112318 1176696610 /nfs/dbraw/zinc/69/66/10/1176696610.db2.gz GIDUTDURZGPDNN-WBVHZDCISA-N 2 0 321.465 0.541 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]C[C@H](C)O)C2CC2)CC1 ZINC001690180820 1177188067 /nfs/dbraw/zinc/18/80/67/1177188067.db2.gz WJCABYJKCIRPON-BBRMVZONSA-N 2 0 307.438 0.197 20 30 DCEDRP C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001692234358 1177455042 /nfs/dbraw/zinc/45/50/42/1177455042.db2.gz URWQTWHVROBEBI-MRXNPFEDSA-N 2 0 321.465 0.779 20 30 DCEDRP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001698847957 1177693310 /nfs/dbraw/zinc/69/33/10/1177693310.db2.gz LQVVQELIUPJBBC-CQSZACIVSA-N 2 0 305.426 0.518 20 30 DCEDRP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)COC1CC[NH+](C)CC1 ZINC001698873548 1177701247 /nfs/dbraw/zinc/70/12/47/1177701247.db2.gz GJWGWKWKGVOYQF-HNNXBMFYSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001699060028 1177810487 /nfs/dbraw/zinc/81/04/87/1177810487.db2.gz CAEDQRWIBIZTBP-HOTGVXAUSA-N 2 0 307.438 0.483 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001699131740 1177883005 /nfs/dbraw/zinc/88/30/05/1177883005.db2.gz QSGMNKYJJLWGFJ-KBPBESRZSA-N 2 0 324.469 0.503 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2ccnn2C)CC1 ZINC001699387606 1178114481 /nfs/dbraw/zinc/11/44/81/1178114481.db2.gz CIIFWTXCBXZXDR-CQSZACIVSA-N 2 0 317.437 0.360 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001699595282 1178209747 /nfs/dbraw/zinc/20/97/47/1178209747.db2.gz PCNNZAJEJYJWJV-KRWDZBQOSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH2+]C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C1CC1 ZINC001699595443 1178210230 /nfs/dbraw/zinc/21/02/30/1178210230.db2.gz PWMDVHLYPBYYSR-OAHLLOKOSA-N 2 0 303.410 0.176 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001699593675 1178210415 /nfs/dbraw/zinc/21/04/15/1178210415.db2.gz NBCUEEVYTHXMKB-XIRDDKMYSA-N 2 0 321.465 0.851 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001699855098 1178318546 /nfs/dbraw/zinc/31/85/46/1178318546.db2.gz ZKOYYNFADSGVMX-WMLDXEAASA-N 2 0 324.469 0.457 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001699972117 1178403007 /nfs/dbraw/zinc/40/30/07/1178403007.db2.gz KPTDYPCEKAZTTR-LSDHHAIUSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001700044688 1178458576 /nfs/dbraw/zinc/45/85/76/1178458576.db2.gz SWLXMFHILYTTRL-INIZCTEOSA-N 2 0 309.454 0.541 20 30 DCEDRP C=CCOCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001700089082 1178475406 /nfs/dbraw/zinc/47/54/06/1178475406.db2.gz TYVSMUJKXXYZES-JKSUJKDBSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)C2CC[NH+](CC#C)CC2)CCO1 ZINC001700611942 1178680621 /nfs/dbraw/zinc/68/06/21/1178680621.db2.gz SNMGPFDZGGVYEV-NVXWUHKLSA-N 2 0 317.433 0.170 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001700733227 1178725388 /nfs/dbraw/zinc/72/53/88/1178725388.db2.gz WPXVSAJKAVGOFZ-MRXNPFEDSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001700853414 1178779337 /nfs/dbraw/zinc/77/93/37/1178779337.db2.gz HSJUYQMMYBLUKP-NVXWUHKLSA-N 2 0 301.434 0.934 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001713118800 1180688676 /nfs/dbraw/zinc/68/86/76/1180688676.db2.gz YFECIFFOTYQEQR-OAHLLOKOSA-N 2 0 322.453 0.115 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713150619 1180698126 /nfs/dbraw/zinc/69/81/26/1180698126.db2.gz GPVIXSDDDMWNTB-HNNXBMFYSA-N 2 0 322.453 0.211 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001713321451 1180767180 /nfs/dbraw/zinc/76/71/80/1180767180.db2.gz PFIPBLMLNMNNDI-HZPDHXFCSA-N 2 0 309.454 0.851 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001714304997 1181314509 /nfs/dbraw/zinc/31/45/09/1181314509.db2.gz JWYHVHAJMTVACU-LSDHHAIUSA-N 2 0 324.469 0.457 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001714610987 1181440078 /nfs/dbraw/zinc/44/00/78/1181440078.db2.gz VPHVZARVOOEKQA-CVEARBPZSA-N 2 0 309.454 0.946 20 30 DCEDRP C#CC[N@H+](CCC)CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001714655432 1181463509 /nfs/dbraw/zinc/46/35/09/1181463509.db2.gz NWQNSIYAIFUQDH-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+]([C@@H](C)COC)C2CC2)CC1 ZINC001714676893 1181474585 /nfs/dbraw/zinc/47/45/85/1181474585.db2.gz WEUGAADJQARJHD-HNNXBMFYSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001715008959 1181646892 /nfs/dbraw/zinc/64/68/92/1181646892.db2.gz GDYGXXOWRKZAMV-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001715353804 1181784783 /nfs/dbraw/zinc/78/47/83/1181784783.db2.gz KDFMWVFIRVPBOP-CQSZACIVSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)C[C@@H](C)OC)CC1 ZINC001715540515 1181850527 /nfs/dbraw/zinc/85/05/27/1181850527.db2.gz XGXBTBVKCSYXAT-OAHLLOKOSA-N 2 0 309.454 0.757 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCOCC1 ZINC001716906780 1182564365 /nfs/dbraw/zinc/56/43/65/1182564365.db2.gz ZWJKPELMJIHCDV-UHFFFAOYSA-N 2 0 307.438 0.749 20 30 DCEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001716930710 1182586475 /nfs/dbraw/zinc/58/64/75/1182586475.db2.gz UZMVWGJHQKUIAR-MAUKXSAKSA-N 2 0 321.465 0.990 20 30 DCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001717350586 1182795576 /nfs/dbraw/zinc/79/55/76/1182795576.db2.gz JEFARTOZGWAFBQ-MRXNPFEDSA-N 2 0 319.449 0.295 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)C[C@@H](C)O)CC1 ZINC001717376133 1182809160 /nfs/dbraw/zinc/80/91/60/1182809160.db2.gz KWMQRXSAFHWZKS-WBVHZDCISA-N 2 0 321.465 0.635 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001717415751 1182827662 /nfs/dbraw/zinc/82/76/62/1182827662.db2.gz LIFDFXULJQYJOO-ZIAGYGMSSA-N 2 0 322.453 0.400 20 30 DCEDRP C#CCC[NH2+][C@H](C)[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001717613147 1182924805 /nfs/dbraw/zinc/92/48/05/1182924805.db2.gz MMRNTXLGJDOGDP-HUUCEWRRSA-N 2 0 307.438 0.700 20 30 DCEDRP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001717938826 1183078990 /nfs/dbraw/zinc/07/89/90/1183078990.db2.gz TWRUXAKIVGXVPR-CVEARBPZSA-N 2 0 309.454 0.634 20 30 DCEDRP C#CCC[NH+]1CCC(N(CC#C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001724065110 1184375133 /nfs/dbraw/zinc/37/51/33/1184375133.db2.gz OHELRZFTBVTSFP-INIZCTEOSA-N 2 0 301.434 0.888 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001724243888 1184405287 /nfs/dbraw/zinc/40/52/87/1184405287.db2.gz GZDCVUULLKVERN-INIZCTEOSA-N 2 0 310.442 0.069 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CC#CCOC)C1 ZINC001724258884 1184406367 /nfs/dbraw/zinc/40/63/67/1184406367.db2.gz JZIFBUUIZHLAOE-KRWDZBQOSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001724428327 1184438732 /nfs/dbraw/zinc/43/87/32/1184438732.db2.gz VHEIIZLVIJVREE-NVXWUHKLSA-N 2 0 307.438 0.437 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC#CCOC)C1 ZINC001724602187 1184470744 /nfs/dbraw/zinc/47/07/44/1184470744.db2.gz JZYGZGFWYTYMEN-CVEARBPZSA-N 2 0 309.454 0.662 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001724683313 1184518036 /nfs/dbraw/zinc/51/80/36/1184518036.db2.gz UZVMRLIRARHXDE-UHFFFAOYSA-N 2 0 317.433 0.796 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001724940382 1184629748 /nfs/dbraw/zinc/62/97/48/1184629748.db2.gz DXLVVQZHQHVCLU-KGLIPLIRSA-N 2 0 322.453 0.067 20 30 DCEDRP C=CCOCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001731528697 1185375626 /nfs/dbraw/zinc/37/56/26/1185375626.db2.gz GZFGIYKPCCJCTF-JKSUJKDBSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001731946849 1185599516 /nfs/dbraw/zinc/59/95/16/1185599516.db2.gz OPIBWDSZHHFTEJ-CABCVRRESA-N 2 0 322.453 0.354 20 30 DCEDRP C=CC[NH+]1CCN(CCN(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001732063988 1185654506 /nfs/dbraw/zinc/65/45/06/1185654506.db2.gz XZKAHBWNCGPLLR-UHFFFAOYSA-N 2 0 308.470 0.733 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCC[C@H](C)O)CC1 ZINC001733067976 1186124762 /nfs/dbraw/zinc/12/47/62/1186124762.db2.gz SWVAXBSEBIIECT-HOTGVXAUSA-N 2 0 323.481 0.929 20 30 DCEDRP C#CCN(C(=O)C12CC[NH+](CC1)C2)C1CC[NH+](C[C@H](C)O)CC1 ZINC001733373539 1186244268 /nfs/dbraw/zinc/24/42/68/1186244268.db2.gz AIDBBNUOFCDUFY-HNNXBMFYSA-N 2 0 319.449 0.389 20 30 DCEDRP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001734178355 1186570728 /nfs/dbraw/zinc/57/07/28/1186570728.db2.gz DESLCOMYIJIMOW-SJORKVTESA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[NH2+]CCOCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001734610674 1186702934 /nfs/dbraw/zinc/70/29/34/1186702934.db2.gz CKDMRPUTZASFBE-UHFFFAOYSA-N 2 0 321.465 0.950 20 30 DCEDRP COCC#CC[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001734636985 1186714986 /nfs/dbraw/zinc/71/49/86/1186714986.db2.gz SLIRBZXLIKWVOR-KRWDZBQOSA-N 2 0 321.465 0.971 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001752719557 1188434900 /nfs/dbraw/zinc/43/49/00/1188434900.db2.gz GDMQGNFZTGPQPU-MQYQWHSLSA-N 2 0 308.426 0.008 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001752813033 1188444178 /nfs/dbraw/zinc/44/41/78/1188444178.db2.gz VWBRONLQMIWMJE-SJORKVTESA-N 2 0 321.465 0.806 20 30 DCEDRP C=CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001752927095 1188463440 /nfs/dbraw/zinc/46/34/40/1188463440.db2.gz LKDUFGPHTFLSBT-LSDHHAIUSA-N 2 0 322.453 0.069 20 30 DCEDRP C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001753919525 1188682258 /nfs/dbraw/zinc/68/22/58/1188682258.db2.gz XQOUCCAYVKVTEE-AWEZNQCLSA-N 2 0 315.377 0.524 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001754535426 1188876339 /nfs/dbraw/zinc/87/63/39/1188876339.db2.gz HYUSSTOEDCRDJH-GASCZTMLSA-N 2 0 307.438 0.747 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001754610016 1188889826 /nfs/dbraw/zinc/88/98/26/1188889826.db2.gz YISMUHBPAXOHMF-OWCLPIDISA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001754821838 1188941891 /nfs/dbraw/zinc/94/18/91/1188941891.db2.gz YPRSWQQYGRJCCT-HOTGVXAUSA-N 2 0 309.454 0.662 20 30 DCEDRP C=C(C)C[NH+]1CCC[C@](CO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001754861725 1188954546 /nfs/dbraw/zinc/95/45/46/1188954546.db2.gz NVAGGPJORXOQGO-RDJZCZTQSA-N 2 0 309.454 0.847 20 30 DCEDRP COCC#CC[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001755131744 1189031494 /nfs/dbraw/zinc/03/14/94/1189031494.db2.gz PPDMHCUCTABNHX-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]C[C@@H](F)CC)CC1 ZINC001755646902 1189174103 /nfs/dbraw/zinc/17/41/03/1189174103.db2.gz DBXAMDIFSAQDKK-GJZGRUSLSA-N 2 0 313.417 0.146 20 30 DCEDRP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001755806413 1189225562 /nfs/dbraw/zinc/22/55/62/1189225562.db2.gz DYLYRQKELCZKMY-AWEZNQCLSA-N 2 0 313.442 0.034 20 30 DCEDRP COCC#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001755886386 1189249370 /nfs/dbraw/zinc/24/93/70/1189249370.db2.gz FUHMGMIBUXNAPF-NVXWUHKLSA-N 2 0 319.449 0.725 20 30 DCEDRP C=C(C)CC[NH+]1CC(n2cc(CNC(=O)CC[NH+](C)C)nn2)C1 ZINC001107202478 751946853 /nfs/dbraw/zinc/94/68/53/751946853.db2.gz HPLUZKOVXGKQIU-UHFFFAOYSA-N 2 0 320.441 0.669 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001167636841 747440728 /nfs/dbraw/zinc/44/07/28/747440728.db2.gz XQPPJTMJXITTTF-UHFFFAOYSA-N 2 0 324.469 0.507 20 30 DCEDRP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105657772 749953914 /nfs/dbraw/zinc/95/39/14/749953914.db2.gz ATEOGLVFUJLQNU-AHCXZYCDSA-N 2 0 321.465 0.537 20 30 DCEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083696214 750930062 /nfs/dbraw/zinc/93/00/62/750930062.db2.gz PBOKVRCOSUZFAA-CABCVRRESA-N 2 0 309.454 0.988 20 30 DCEDRP COCC#CC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127357486 751196018 /nfs/dbraw/zinc/19/60/18/751196018.db2.gz ZFCSMDQWEPERBZ-INIZCTEOSA-N 2 0 321.465 0.997 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](CCO)CC2)CC1 ZINC001045647221 753277711 /nfs/dbraw/zinc/27/77/11/753277711.db2.gz WKEPZPANJAFCTR-UHFFFAOYSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CN(C)CCO1)C2 ZINC001045925805 753372498 /nfs/dbraw/zinc/37/24/98/753372498.db2.gz UWROTZNWDQNHCF-SJLPKXTDSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCO)C23CCC3)CC1 ZINC001078819682 753393152 /nfs/dbraw/zinc/39/31/52/753393152.db2.gz RCOHEXQCDCRMAC-HOTGVXAUSA-N 2 0 319.449 0.341 20 30 DCEDRP C=CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001046008926 753411354 /nfs/dbraw/zinc/41/13/54/753411354.db2.gz BSHUAFOYJAQLPH-IRXDYDNUSA-N 2 0 320.481 0.875 20 30 DCEDRP C=CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001046008927 753411445 /nfs/dbraw/zinc/41/14/45/753411445.db2.gz BSHUAFOYJAQLPH-SJORKVTESA-N 2 0 320.481 0.875 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001046035403 753439406 /nfs/dbraw/zinc/43/94/06/753439406.db2.gz LDMGQAQNYIFFKV-IAGOWNOFSA-N 2 0 320.481 0.731 20 30 DCEDRP C=CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046081541 753470960 /nfs/dbraw/zinc/47/09/60/753470960.db2.gz HEHNHLBJVYNUIO-DLBZAZTESA-N 2 0 320.481 0.733 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)[C@@H](C)C1 ZINC001044872148 754220487 /nfs/dbraw/zinc/22/04/87/754220487.db2.gz OFFMRUNMCXOBOB-RDJZCZTQSA-N 2 0 301.434 0.934 20 30 DCEDRP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001047501798 754338527 /nfs/dbraw/zinc/33/85/27/754338527.db2.gz WBIYBTRHGVEBJI-VGWMRTNUSA-N 2 0 309.454 0.796 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCOC)C2)CC1 ZINC001072095570 762351891 /nfs/dbraw/zinc/35/18/91/762351891.db2.gz KPOZOMPQKVAYDK-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC001090356320 755667631 /nfs/dbraw/zinc/66/76/31/755667631.db2.gz VVOYMNYXKPVCGI-HUUCEWRRSA-N 2 0 307.438 0.600 20 30 DCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080161091 756117773 /nfs/dbraw/zinc/11/77/73/756117773.db2.gz MCYQJGVAHRJBMZ-HCBPCCMXSA-N 2 0 317.433 0.309 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC001054654012 756600421 /nfs/dbraw/zinc/60/04/21/756600421.db2.gz GBUPNJLSRWMDNO-DZGCQCFKSA-N 2 0 303.410 0.128 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084834315 758071016 /nfs/dbraw/zinc/07/10/16/758071016.db2.gz VGCTYEQUNXQNMU-BRWVUGGUSA-N 2 0 319.449 0.511 20 30 DCEDRP C#CCC[NH+](CCO)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001098406682 759708489 /nfs/dbraw/zinc/70/84/89/759708489.db2.gz UBSVBTWLIOJZGR-QGZVFWFLSA-N 2 0 321.465 0.779 20 30 DCEDRP C=C(Br)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147970256 767889622 /nfs/dbraw/zinc/88/96/22/767889622.db2.gz DGTIKPDXJUYPMJ-UHFFFAOYSA-N 2 0 302.216 0.697 20 30 DCEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001086373069 760110253 /nfs/dbraw/zinc/11/02/53/760110253.db2.gz KCDLGSACGPBMPV-FPCVCCKLSA-N 2 0 307.438 0.910 20 30 DCEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100124597 760441314 /nfs/dbraw/zinc/44/13/14/760441314.db2.gz KQXOWQOQQUHWRS-HOTGVXAUSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCCC1)C2 ZINC001108821723 761071736 /nfs/dbraw/zinc/07/17/36/761071736.db2.gz RWFRWPQXLYEERO-ULQDDVLXSA-N 2 0 319.449 0.701 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001070719272 761412285 /nfs/dbraw/zinc/41/22/85/761412285.db2.gz WSOYMQZXZSEYGD-HUUCEWRRSA-N 2 0 315.421 0.033 20 30 DCEDRP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001071104340 761621251 /nfs/dbraw/zinc/62/12/51/761621251.db2.gz SLHGRVUBNRKSCL-ZACQAIPSSA-N 2 0 319.449 0.557 20 30 DCEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001086882388 768083016 /nfs/dbraw/zinc/08/30/16/768083016.db2.gz PAUVWZPWFUDVAI-DOTOQJQBSA-N 2 0 301.434 0.839 20 30 DCEDRP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)COCC[NH+](C)C ZINC001099547924 762896491 /nfs/dbraw/zinc/89/64/91/762896491.db2.gz NLIWHHBUGFYVOK-YVSFHVDLSA-N 2 0 321.465 0.919 20 30 DCEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130125290 763134404 /nfs/dbraw/zinc/13/44/04/763134404.db2.gz GKRZRJIWJZTODA-CABCVRRESA-N 2 0 318.425 0.292 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001086984471 768110310 /nfs/dbraw/zinc/11/03/10/768110310.db2.gz OZHSAVAMCJRITK-ARFHVFGLSA-N 2 0 317.437 0.278 20 30 DCEDRP C=CCCC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971655 763177383 /nfs/dbraw/zinc/17/73/83/763177383.db2.gz KUMXYGXKDDXLSI-CABCVRRESA-N 2 0 309.454 0.846 20 30 DCEDRP C=CCOCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099974813 763180506 /nfs/dbraw/zinc/18/05/06/763180506.db2.gz VZTJOVXKQLMLRI-CABCVRRESA-N 2 0 313.442 0.082 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100115987 763327650 /nfs/dbraw/zinc/32/76/50/763327650.db2.gz JFSNDSDFXKZLRC-DLBZAZTESA-N 2 0 321.465 0.827 20 30 DCEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100115672 763327977 /nfs/dbraw/zinc/32/79/77/763327977.db2.gz BHURPBIZSDIERS-IAGOWNOFSA-N 2 0 321.465 0.827 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130659046 763422592 /nfs/dbraw/zinc/42/25/92/763422592.db2.gz BHYGDODMNSXZAF-DZGCQCFKSA-N 2 0 305.426 0.442 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001130808518 763501249 /nfs/dbraw/zinc/50/12/49/763501249.db2.gz DVJWVQAYTCIQMT-CQSZACIVSA-N 2 0 320.437 0.108 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001100606452 763678291 /nfs/dbraw/zinc/67/82/91/763678291.db2.gz GLAHEYFTWXWCMH-SOEBMCCKSA-N 2 0 321.465 0.851 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001100681031 763720714 /nfs/dbraw/zinc/72/07/14/763720714.db2.gz SCOXSRDIJJQRGC-UHFFFAOYSA-N 2 0 321.465 0.853 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131845112 764062164 /nfs/dbraw/zinc/06/21/64/764062164.db2.gz SAMURMUVAUUQAS-CQSZACIVSA-N 2 0 324.469 0.647 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001132283753 764352278 /nfs/dbraw/zinc/35/22/78/764352278.db2.gz HKZJKWUHOSUIHL-CQSZACIVSA-N 2 0 322.453 0.354 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001098478864 764376736 /nfs/dbraw/zinc/37/67/36/764376736.db2.gz HVYBERRFPXAGHS-NVXWUHKLSA-N 2 0 321.465 0.493 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001133242531 764889520 /nfs/dbraw/zinc/88/95/20/764889520.db2.gz UHRAVPBCOQGFSB-JKSUJKDBSA-N 2 0 309.454 0.662 20 30 DCEDRP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103396852 765047524 /nfs/dbraw/zinc/04/75/24/765047524.db2.gz MVDYRCSPABMDHA-HUUCEWRRSA-N 2 0 324.469 0.315 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1=O ZINC001133906014 765218886 /nfs/dbraw/zinc/21/88/86/765218886.db2.gz NBLGAONAPLUZAH-AWEZNQCLSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001134392137 765511681 /nfs/dbraw/zinc/51/16/81/765511681.db2.gz NJHZDFZMBUOUIB-GJZGRUSLSA-N 2 0 319.453 0.955 20 30 DCEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CC[NH+](C)CC1 ZINC001115038429 765559826 /nfs/dbraw/zinc/55/98/26/765559826.db2.gz LNVXWEZMVVUWOV-QLPKVWCKSA-N 2 0 307.438 0.720 20 30 DCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001115244795 765660013 /nfs/dbraw/zinc/66/00/13/765660013.db2.gz FVOKORZYQWHYRQ-CAOSSQGBSA-N 2 0 305.422 0.024 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938615 766177353 /nfs/dbraw/zinc/17/73/53/766177353.db2.gz MCBQRDDNADXDFU-KGLIPLIRSA-N 2 0 322.453 0.257 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001160003428 766347736 /nfs/dbraw/zinc/34/77/36/766347736.db2.gz ODQSDDCZTUFSEV-CYBMUJFWSA-N 2 0 310.442 0.257 20 30 DCEDRP C#CCN1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](O)C1 ZINC001090650342 766438027 /nfs/dbraw/zinc/43/80/27/766438027.db2.gz JUULTPYGARYTOM-DLBZAZTESA-N 2 0 315.417 0.546 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC001090691975 766481946 /nfs/dbraw/zinc/48/19/46/766481946.db2.gz JEEJENAEHZHIEZ-IAGOWNOFSA-N 2 0 321.465 0.682 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001136986805 766636395 /nfs/dbraw/zinc/63/63/95/766636395.db2.gz XYZHIYUQBUJESY-GOSISDBHSA-N 2 0 317.433 0.857 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001147359928 767723963 /nfs/dbraw/zinc/72/39/63/767723963.db2.gz XIPUMQKVEHNMBI-OAHLLOKOSA-N 2 0 322.453 0.096 20 30 DCEDRP C#CC[NH+]1CCC(CCOC)(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001151334965 769314380 /nfs/dbraw/zinc/31/43/80/769314380.db2.gz SQSWESUDBXTCKT-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001099938551 769426532 /nfs/dbraw/zinc/42/65/32/769426532.db2.gz XNROIFHQONNZDD-CABCVRRESA-N 2 0 309.454 0.988 20 30 DCEDRP N#Cc1ccc(Cl)c(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235871331 769956505 /nfs/dbraw/zinc/95/65/05/769956505.db2.gz SNPMEIPAEZEVSF-UHFFFAOYSA-N 2 0 321.856 0.796 20 30 DCEDRP C=CCOCC[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176160311 770048732 /nfs/dbraw/zinc/04/87/32/770048732.db2.gz ALXSZKKYVNYHDO-HNNXBMFYSA-N 2 0 313.442 0.253 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCOCC=C)CC1 ZINC001176926671 770226898 /nfs/dbraw/zinc/22/68/98/770226898.db2.gz SHUGQEUBXJKGBU-UHFFFAOYSA-N 2 0 307.438 0.630 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2ncccn2)CC1 ZINC001176926459 770227025 /nfs/dbraw/zinc/22/70/25/770227025.db2.gz NGZCFICFFOXLMI-UHFFFAOYSA-N 2 0 315.421 0.418 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001178045270 770600396 /nfs/dbraw/zinc/60/03/96/770600396.db2.gz HRYHZKUQOPYMNZ-HNNXBMFYSA-N 2 0 322.453 0.096 20 30 DCEDRP Cc1ncc(C[NH3+])c(=N)n1-c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001156825565 770936201 /nfs/dbraw/zinc/93/62/01/770936201.db2.gz QGCZWKFKIZRQKP-UHFFFAOYSA-N 2 0 309.377 0.421 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001179431167 771003009 /nfs/dbraw/zinc/00/30/09/771003009.db2.gz PJQQJCKJDQMHLF-GJZGRUSLSA-N 2 0 307.438 0.557 20 30 DCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001179798661 771016258 /nfs/dbraw/zinc/01/62/58/771016258.db2.gz GBKGXXVMTWCEIT-HOCLYGCPSA-N 2 0 307.438 0.700 20 30 DCEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179929542 771035937 /nfs/dbraw/zinc/03/59/37/771035937.db2.gz PAWAKLXCURXPSO-STQMWFEESA-N 2 0 303.834 0.896 20 30 DCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001183249646 771628393 /nfs/dbraw/zinc/62/83/93/771628393.db2.gz QHAWFWIKCFDRMM-NVXWUHKLSA-N 2 0 319.449 0.844 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001183390860 771643699 /nfs/dbraw/zinc/64/36/99/771643699.db2.gz LBXJTIROFOBDMI-HUUCEWRRSA-N 2 0 322.453 0.354 20 30 DCEDRP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158421975 771772104 /nfs/dbraw/zinc/77/21/04/771772104.db2.gz HFFIYOZTXPEWJC-LTIDMASMSA-N 2 0 310.401 0.824 20 30 DCEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)COCC[NH+](C)C)C12CCC2 ZINC001203615768 771907034 /nfs/dbraw/zinc/90/70/34/771907034.db2.gz QZXLWZUKCFQROE-LSDHHAIUSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC12CCOCC2 ZINC001186311011 772030948 /nfs/dbraw/zinc/03/09/48/772030948.db2.gz PONLROIACXBXTP-HZPDHXFCSA-N 2 0 319.449 0.559 20 30 DCEDRP CN(CC[NH+]1CCCC1)C(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001160689484 772094931 /nfs/dbraw/zinc/09/49/31/772094931.db2.gz XGDWRSAPKZEWFD-INIZCTEOSA-N 2 0 300.406 0.982 20 30 DCEDRP N#Cc1ccc(O[C@@H]2CCCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C2)cc1 ZINC001161325233 772205484 /nfs/dbraw/zinc/20/54/84/772205484.db2.gz YTKAGOHNHUYNDI-CVEARBPZSA-N 2 0 316.405 0.994 20 30 DCEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)N2C[C@H]([NH3+])C3(COC3)C2)cc1 ZINC001161508641 772237002 /nfs/dbraw/zinc/23/70/02/772237002.db2.gz FPPNUFSZUSSMNK-KGLIPLIRSA-N 2 0 300.362 0.134 20 30 DCEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161511109 772237530 /nfs/dbraw/zinc/23/75/30/772237530.db2.gz WQDPVCIKFLHPLV-GJZGRUSLSA-N 2 0 314.389 0.004 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@H+](CCO)CC2)CC1 ZINC001161946955 772304822 /nfs/dbraw/zinc/30/48/22/772304822.db2.gz OAWYOMAXTJEWGL-UHFFFAOYSA-N 2 0 319.449 0.462 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)(COC)CC1 ZINC001162327850 772361929 /nfs/dbraw/zinc/36/19/29/772361929.db2.gz YLLXIXSHMFOPIU-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001163850836 772581636 /nfs/dbraw/zinc/58/16/36/772581636.db2.gz ABOVVBVJUKKXAJ-CQSZACIVSA-N 2 0 322.453 0.095 20 30 DCEDRP COCc1nn(-c2ncc3c(c2C#N)CCC[NH2+]C3)c2c1C[NH2+]C2 ZINC001165631495 772751535 /nfs/dbraw/zinc/75/15/35/772751535.db2.gz AWYGNVJRMRPTFE-UHFFFAOYSA-N 2 0 324.388 0.924 20 30 DCEDRP COCC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001165764104 772760228 /nfs/dbraw/zinc/76/02/28/772760228.db2.gz MBLVKJNODXIOCY-MRXNPFEDSA-N 2 0 321.465 0.997 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166627384 772830814 /nfs/dbraw/zinc/83/08/14/772830814.db2.gz UOBSRQRHXGFVBS-ZIAGYGMSSA-N 2 0 310.442 0.257 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001192353089 772909163 /nfs/dbraw/zinc/90/91/63/772909163.db2.gz ADGYYJAUCOVMNQ-CVEARBPZSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001192425359 772916002 /nfs/dbraw/zinc/91/60/02/772916002.db2.gz GCACMCZMIVBOHQ-HZPDHXFCSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001206927810 773136934 /nfs/dbraw/zinc/13/69/34/773136934.db2.gz RIUQNALWVIBLHK-HNNXBMFYSA-N 2 0 322.453 0.069 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001208334974 773435705 /nfs/dbraw/zinc/43/57/05/773435705.db2.gz PBUKTIYLWZQITF-HZPDHXFCSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+]CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152246164 773529862 /nfs/dbraw/zinc/52/98/62/773529862.db2.gz SVLNLRJEQKGSOX-UHFFFAOYSA-N 2 0 303.406 0.717 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001152324673 773727334 /nfs/dbraw/zinc/72/73/34/773727334.db2.gz XDLOHETVSQIQRS-ZBFHGGJFSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001210773449 773736485 /nfs/dbraw/zinc/73/64/85/773736485.db2.gz JOHSTFCICADMBI-HNNXBMFYSA-N 2 0 324.469 0.601 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]C[C@@H](C)OC)C2)CC1 ZINC001211233952 773784139 /nfs/dbraw/zinc/78/41/39/773784139.db2.gz RSVRLAXLPBRLPQ-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213347865 773836857 /nfs/dbraw/zinc/83/68/57/773836857.db2.gz BMYXJMUBYUHOCE-HUUCEWRRSA-N 2 0 313.442 0.346 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423226 774071993 /nfs/dbraw/zinc/07/19/93/774071993.db2.gz CGFVDQGSIDTBIT-QLFBSQMISA-N 2 0 324.469 0.455 20 30 DCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216383342 774115299 /nfs/dbraw/zinc/11/52/99/774115299.db2.gz KPNDRILIFRJPSB-OWCLPIDISA-N 2 0 309.454 0.967 20 30 DCEDRP COC(=O)CC[C@H]([NH3+])C(=O)Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC001218552054 774244909 /nfs/dbraw/zinc/24/49/09/774244909.db2.gz BSFFUVHVZXURLT-JTQLQIEISA-N 2 0 322.390 0.484 20 30 DCEDRP N#Cc1c(NC(=O)C2(N)CC[NH2+]CC2)sc2c1CC[NH2+]C2 ZINC001218554628 774246136 /nfs/dbraw/zinc/24/61/36/774246136.db2.gz VPUINHLZQVRHCM-UHFFFAOYSA-N 2 0 305.407 0.285 20 30 DCEDRP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001219032013 774351723 /nfs/dbraw/zinc/35/17/23/774351723.db2.gz MRJZWJPIWSRLDH-HRCADAONSA-N 2 0 307.438 0.816 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200528238 774362778 /nfs/dbraw/zinc/36/27/78/774362778.db2.gz IHIJZJVNQFCJSE-CVEARBPZSA-N 2 0 307.438 0.721 20 30 DCEDRP COCC#CC[NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001200606609 774386334 /nfs/dbraw/zinc/38/63/34/774386334.db2.gz RREAUPYKBXFCSC-KRWDZBQOSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCCO1 ZINC001200737092 774403616 /nfs/dbraw/zinc/40/36/16/774403616.db2.gz KCTCZFVQFZFXKM-CVEARBPZSA-N 2 0 309.454 0.803 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200805955 774411755 /nfs/dbraw/zinc/41/17/55/774411755.db2.gz NTCWKSKEHCAIGK-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200805957 774411939 /nfs/dbraw/zinc/41/19/39/774411939.db2.gz NTCWKSKEHCAIGK-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CCCO1 ZINC001201063492 774440659 /nfs/dbraw/zinc/44/06/59/774440659.db2.gz UONVFKJCCQMEFR-IRXDYDNUSA-N 2 0 319.449 0.701 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CCCO1 ZINC001201403380 774501623 /nfs/dbraw/zinc/50/16/23/774501623.db2.gz KFKMQNQEVFCNMQ-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219919783 774645947 /nfs/dbraw/zinc/64/59/47/774645947.db2.gz NSAQILSLPCTOJJ-CVEARBPZSA-N 2 0 318.421 0.645 20 30 DCEDRP C[C@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)c1cccc(C#N)c1 ZINC001220047980 774680636 /nfs/dbraw/zinc/68/06/36/774680636.db2.gz HACHTXDPPVDXHL-BLLLJJGKSA-N 2 0 315.421 0.486 20 30 DCEDRP C=CCOCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001202504559 774770700 /nfs/dbraw/zinc/77/07/00/774770700.db2.gz UPASTQZZHIFXMT-GOEBONIOSA-N 2 0 309.454 0.967 20 30 DCEDRP N#Cc1ccc(CN(C(=O)[C@@H](N)C[NH3+])[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001221184355 775020131 /nfs/dbraw/zinc/02/01/31/775020131.db2.gz UPDCQRLWNNNKFR-JYJNAYRXSA-N 2 0 315.421 0.443 20 30 DCEDRP C#CCN(C(=O)CCC[NH+](C)C)C1CC[NH+](CCOC)CC1 ZINC001278177191 945167492 /nfs/dbraw/zinc/16/74/92/945167492.db2.gz JMVNVMLCXAQXQE-UHFFFAOYSA-N 2 0 309.454 0.901 20 30 DCEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001278201329 945178363 /nfs/dbraw/zinc/17/83/63/945178363.db2.gz FDPYBAATUDDJFA-CVEARBPZSA-N 2 0 309.454 0.587 20 30 DCEDRP C#CCC[NH+]1CCN(CCN(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001317818537 945196627 /nfs/dbraw/zinc/19/66/27/945196627.db2.gz DHTSVSZMYMYATB-UHFFFAOYSA-N 2 0 320.481 0.570 20 30 DCEDRP C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317861133 945209155 /nfs/dbraw/zinc/20/91/55/945209155.db2.gz MRCYTUACPHFVEC-CABCVRRESA-N 2 0 322.453 0.021 20 30 DCEDRP N#CCCCN1C(=O)COCC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001273030119 945209738 /nfs/dbraw/zinc/20/97/38/945209738.db2.gz LLWZSJKHJJQVHM-UHFFFAOYSA-N 2 0 306.410 0.203 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266465371 939126347 /nfs/dbraw/zinc/12/63/47/939126347.db2.gz UWXPIDQISDQZKB-BZUAXINKSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001266620424 939181657 /nfs/dbraw/zinc/18/16/57/939181657.db2.gz WOFNJPQPDIXKRF-HDJSIYSDSA-N 2 0 324.469 0.503 20 30 DCEDRP COCC#CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001267506159 939479909 /nfs/dbraw/zinc/47/99/09/939479909.db2.gz XYSQSUDAOYGKAK-MRXNPFEDSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267606525 939562787 /nfs/dbraw/zinc/56/27/87/939562787.db2.gz FQXPVMRKRWVNCI-QLFBSQMISA-N 2 0 324.469 0.598 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)C(C)(C)C[NH+]2CCOCC2)CCC1 ZINC001273106786 945259059 /nfs/dbraw/zinc/25/90/59/945259059.db2.gz SXGZSWJFAZTHNA-UHFFFAOYSA-N 2 0 307.438 0.607 20 30 DCEDRP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC#CCOC ZINC001267805599 939686027 /nfs/dbraw/zinc/68/60/27/939686027.db2.gz QZBSOOVHMKPMHV-HZPDHXFCSA-N 2 0 309.454 0.993 20 30 DCEDRP C=CCC[NH+]1CCN(CCN(C)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001481475203 939888999 /nfs/dbraw/zinc/88/89/99/939888999.db2.gz ZDVMPUPNSQVTTJ-UHFFFAOYSA-N 2 0 310.486 0.979 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)CC#CCOC)C1 ZINC001481504106 939905202 /nfs/dbraw/zinc/90/52/02/939905202.db2.gz KVWRVTHBHRFCIQ-INIZCTEOSA-N 2 0 309.454 0.758 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268094433 939944311 /nfs/dbraw/zinc/94/43/11/939944311.db2.gz OHFBSCRKFRLMSI-ZIAGYGMSSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CC1CCOCC1 ZINC001268239513 940002530 /nfs/dbraw/zinc/00/25/30/940002530.db2.gz SEAXQESBPVYAQD-KRWDZBQOSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001481703304 940055701 /nfs/dbraw/zinc/05/57/01/940055701.db2.gz CRUWYVPXPUEVHS-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001268364132 940082300 /nfs/dbraw/zinc/08/23/00/940082300.db2.gz BELNJBOGABJHQA-HUUCEWRRSA-N 2 0 322.453 0.093 20 30 DCEDRP C=CCNC(=O)[C@@H](C)N1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001269268570 940667452 /nfs/dbraw/zinc/66/74/52/940667452.db2.gz NMVCYERRBSYFGU-CABCVRRESA-N 2 0 324.469 0.552 20 30 DCEDRP C#CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCOC)CC1 ZINC001270358373 940887064 /nfs/dbraw/zinc/88/70/64/940887064.db2.gz HHFRQFSKEKDDHI-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@]2(C)CCC[N@H+](CCO)C2)CC1 ZINC001271017244 941241800 /nfs/dbraw/zinc/24/18/00/941241800.db2.gz NJPMSTDTQHEIHR-GOSISDBHSA-N 2 0 321.465 0.542 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001271679247 941421884 /nfs/dbraw/zinc/42/18/84/941421884.db2.gz WVWDXUIHZXTRRP-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001271956068 941491015 /nfs/dbraw/zinc/49/10/15/941491015.db2.gz ATSUAJYEFAISHC-SJLPKXTDSA-N 2 0 321.465 0.826 20 30 DCEDRP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001271956041 941491050 /nfs/dbraw/zinc/49/10/50/941491050.db2.gz AJMAUVJRCXLYEY-WMZOPIPTSA-N 2 0 319.449 0.295 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483259766 942214562 /nfs/dbraw/zinc/21/45/62/942214562.db2.gz NPKNXPSTMISHDY-AJNGGQMLSA-N 2 0 324.469 0.502 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@](C)(C[NH2+]CCCO)C2)CC1 ZINC001484124031 943156831 /nfs/dbraw/zinc/15/68/31/943156831.db2.gz FCVNTOGYXNJAFD-GOSISDBHSA-N 2 0 321.465 0.542 20 30 DCEDRP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]([NH2+]CC#CCOC)C1 ZINC001490895889 943581820 /nfs/dbraw/zinc/58/18/20/943581820.db2.gz ISWMSHFXOBMJLC-KKUMJFAQSA-N 2 0 313.417 0.553 20 30 DCEDRP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001484849850 943595848 /nfs/dbraw/zinc/59/58/48/943595848.db2.gz ZTGZTWSULDZAQR-NVXWUHKLSA-N 2 0 309.454 0.847 20 30 DCEDRP CC#CC[NH2+]CC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCOCC1 ZINC001484863954 943606448 /nfs/dbraw/zinc/60/64/48/943606448.db2.gz HSQUHKDXDQRLJN-INIZCTEOSA-N 2 0 319.449 0.607 20 30 DCEDRP COCC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485304192 943829236 /nfs/dbraw/zinc/82/92/36/943829236.db2.gz UJUXEMLCOYVZPA-ZBFHGGJFSA-N 2 0 307.438 0.415 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485304191 943830265 /nfs/dbraw/zinc/83/02/65/943830265.db2.gz UJUXEMLCOYVZPA-HOCLYGCPSA-N 2 0 307.438 0.415 20 30 DCEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001485641017 944060125 /nfs/dbraw/zinc/06/01/25/944060125.db2.gz NPTZTLOVLJCDKV-HOTGVXAUSA-N 2 0 319.449 0.844 20 30 DCEDRP C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001485644140 944061155 /nfs/dbraw/zinc/06/11/55/944061155.db2.gz OHPONEFKIYZYFU-GDBMZVCRSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCC[NH2+][C@H](C)C(N)=O)CC1 ZINC001485752010 944119595 /nfs/dbraw/zinc/11/95/95/944119595.db2.gz SJTYJOAKYFLACT-ZIAGYGMSSA-N 2 0 322.453 0.080 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001281136153 944208480 /nfs/dbraw/zinc/20/84/80/944208480.db2.gz AEURUDLZDCCVDD-QGZVFWFLSA-N 2 0 307.438 0.437 20 30 DCEDRP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001276777569 944295479 /nfs/dbraw/zinc/29/54/79/944295479.db2.gz DREYXWSFFLPYDE-ZBFHGGJFSA-N 2 0 307.438 0.700 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485877004 944376370 /nfs/dbraw/zinc/37/63/70/944376370.db2.gz XGOSYLLJLXVZAI-HIFRSBDPSA-N 2 0 322.453 0.067 20 30 DCEDRP C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001486027910 944508656 /nfs/dbraw/zinc/50/86/56/944508656.db2.gz QDSRZZYQSALSTC-GDBMZVCRSA-N 2 0 307.438 0.483 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001486317232 944763279 /nfs/dbraw/zinc/76/32/79/944763279.db2.gz GIZVPNRXQKGNMW-DLBZAZTESA-N 2 0 323.481 0.929 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001317079959 944782983 /nfs/dbraw/zinc/78/29/83/944782983.db2.gz ALEVTXNCLHIXCT-AJNGGQMLSA-N 2 0 322.453 0.398 20 30 DCEDRP C=CCNC(=O)C[NH+](C)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001277435743 944817355 /nfs/dbraw/zinc/81/73/55/944817355.db2.gz UPNYSSGVZCLFLV-UHFFFAOYSA-N 2 0 324.469 0.553 20 30 DCEDRP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC#CCOC)[NH+](C)C ZINC001317187486 944843894 /nfs/dbraw/zinc/84/38/94/944843894.db2.gz DYILOMIGQOJYSX-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[N@H+]1CC=C(CNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001486509541 944945884 /nfs/dbraw/zinc/94/58/84/944945884.db2.gz AATKFIMVHMMKQE-UHFFFAOYSA-N 2 0 319.449 0.869 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001277949132 945056294 /nfs/dbraw/zinc/05/62/94/945056294.db2.gz YYGCZHJNRSFSOE-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001277955844 945062249 /nfs/dbraw/zinc/06/22/49/945062249.db2.gz CMXAGYOLPGYUPJ-MRXNPFEDSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC001318500395 945389992 /nfs/dbraw/zinc/38/99/92/945389992.db2.gz BXHFMCKYPMLKNX-UHFFFAOYSA-N 2 0 320.481 0.474 20 30 DCEDRP C=CCOC(=O)N1CCC(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246466548 945414419 /nfs/dbraw/zinc/41/44/19/945414419.db2.gz OPPAPSYGTGRSPE-OAHLLOKOSA-N 2 0 322.453 0.705 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001318854908 945453933 /nfs/dbraw/zinc/45/39/33/945453933.db2.gz OSNNCZRJXJLXFM-KRWDZBQOSA-N 2 0 321.465 0.950 20 30 DCEDRP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001318854611 945454304 /nfs/dbraw/zinc/45/43/04/945454304.db2.gz KTINEXLTFQBFIZ-DLBZAZTESA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCN1CCN(C)C2(CC[NH+]([C@H]3CC[NH2+][C@@H](C)C3)CC2)C1=O ZINC001246739023 945478557 /nfs/dbraw/zinc/47/85/57/945478557.db2.gz INYIJHRYXQPTDN-HOTGVXAUSA-N 2 0 320.481 0.922 20 30 DCEDRP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCCC1 ZINC001319385236 945574788 /nfs/dbraw/zinc/57/47/88/945574788.db2.gz IVFBENFUVVDLHX-CQSZACIVSA-N 2 0 322.453 0.095 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001319512275 945606968 /nfs/dbraw/zinc/60/69/68/945606968.db2.gz SYMZZAWKXJVEQK-OAHLLOKOSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001320275107 945796900 /nfs/dbraw/zinc/79/69/00/945796900.db2.gz SZZUMKYPHYMEBP-BBRMVZONSA-N 2 0 315.433 0.842 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]C[C@H]2CCOC2)CC1 ZINC001320928342 946070758 /nfs/dbraw/zinc/07/07/58/946070758.db2.gz HKKGWGSTXJZYAH-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCC(C)(C)C ZINC001278768284 946332034 /nfs/dbraw/zinc/33/20/34/946332034.db2.gz SUMLZBXIDATOOE-CVEARBPZSA-N 2 0 323.481 0.929 20 30 DCEDRP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001278860220 946492058 /nfs/dbraw/zinc/49/20/58/946492058.db2.gz RECYCJMNUKYXPJ-SJORKVTESA-N 2 0 321.465 0.778 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CCO1 ZINC001273323859 946631868 /nfs/dbraw/zinc/63/18/68/946631868.db2.gz RVFPBIMEYWIXPO-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCN(CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CCOC ZINC001279048863 946769648 /nfs/dbraw/zinc/76/96/48/946769648.db2.gz DIZDACAASZTYMJ-INIZCTEOSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001325099090 947652028 /nfs/dbraw/zinc/65/20/28/947652028.db2.gz VHFTWQSKESDCMF-WBVHZDCISA-N 2 0 307.438 0.457 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186816538 947943465 /nfs/dbraw/zinc/94/34/65/947943465.db2.gz ABUZOPIOSIWYPH-ZIAGYGMSSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001264439276 948978404 /nfs/dbraw/zinc/97/84/04/948978404.db2.gz ODIRJZRAZPUQIY-BZUAXINKSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[NH+](C)CCOCCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001264669289 949059287 /nfs/dbraw/zinc/05/92/87/949059287.db2.gz OKBKGSKZDDBDGD-MRXNPFEDSA-N 2 0 309.454 0.901 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001330612345 950547844 /nfs/dbraw/zinc/54/78/44/950547844.db2.gz CDCIQADYKRCEIH-JYJNAYRXSA-N 2 0 309.454 0.707 20 30 DCEDRP CC#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001279436600 950575922 /nfs/dbraw/zinc/57/59/22/950575922.db2.gz KTIIJFHHMUENAJ-HOTGVXAUSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001490470607 950712259 /nfs/dbraw/zinc/71/22/59/950712259.db2.gz XOGJNFKIZRHLSL-UHFFFAOYSA-N 2 0 306.454 0.228 20 30 DCEDRP COCC#CC[NH2+]CCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001330910490 950754559 /nfs/dbraw/zinc/75/45/59/950754559.db2.gz KLMBYOQRWXQSHB-HNNXBMFYSA-N 2 0 309.454 0.853 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)C(C)(C)C[NH+]2CCOCC2)CCC1 ZINC001280488341 950902095 /nfs/dbraw/zinc/90/20/95/950902095.db2.gz SMSLYXXKMFWMQT-UHFFFAOYSA-N 2 0 321.465 0.997 20 30 DCEDRP C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001274134193 951439376 /nfs/dbraw/zinc/43/93/76/951439376.db2.gz QELYZWXILRZILG-GJBLVYBDSA-N 2 0 308.426 0.035 20 30 DCEDRP CC[C@@H](C(=O)N1CCC(C)([NH2+]CC#CCOC)CC1)[NH+](C)C ZINC001274393683 951606851 /nfs/dbraw/zinc/60/68/51/951606851.db2.gz QCNTUCUNAHIGLW-HNNXBMFYSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001274924543 951888611 /nfs/dbraw/zinc/88/86/11/951888611.db2.gz SMQZUMWZMGXYFG-GJZGRUSLSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001274941765 951897355 /nfs/dbraw/zinc/89/73/55/951897355.db2.gz SLEVBCGMTUMSEZ-UHFFFAOYSA-N 2 0 321.465 0.829 20 30 DCEDRP C=CCNC(=O)CN(C)[C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001275929006 952534015 /nfs/dbraw/zinc/53/40/15/952534015.db2.gz WHGMWHDSZRVQIR-KBPBESRZSA-N 2 0 310.442 0.067 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001282888382 953721356 /nfs/dbraw/zinc/72/13/56/953721356.db2.gz KMFGEEVYEIIEID-NXOAAHMSSA-N 2 0 321.465 0.516 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001316628825 954488636 /nfs/dbraw/zinc/48/86/36/954488636.db2.gz CISSJILSDMHRNV-KBUPBQIOSA-N 2 0 322.453 0.113 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001284313081 955004108 /nfs/dbraw/zinc/00/41/08/955004108.db2.gz NMIKDPINFVCPPP-CABCVRRESA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CC1(C)C ZINC001284336838 955018505 /nfs/dbraw/zinc/01/85/05/955018505.db2.gz WBKSYKWMIMTSHG-KGLIPLIRSA-N 2 0 324.469 0.455 20 30 DCEDRP C#CC[NH2+]CC(=O)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001357415110 957278691 /nfs/dbraw/zinc/27/86/91/957278691.db2.gz WANHSSWVSDLNMI-RDJZCZTQSA-N 2 0 315.417 0.615 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]C[C@@H]2CCCCO2)CC1 ZINC001491682247 959045464 /nfs/dbraw/zinc/04/54/64/959045464.db2.gz JHIPIUZZYZLDPE-WBVHZDCISA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2ccn(C)n2)CC1 ZINC001491683347 959047392 /nfs/dbraw/zinc/04/73/92/959047392.db2.gz SQIDFQMCAISLMC-AWEZNQCLSA-N 2 0 317.437 0.360 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCCOC)C2)CC1 ZINC001491772576 959210873 /nfs/dbraw/zinc/21/08/73/959210873.db2.gz PEFVUNVGVFZNKM-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001316742996 960229341 /nfs/dbraw/zinc/22/93/41/960229341.db2.gz APFDFUQANVQGKQ-JKSUJKDBSA-N 2 0 307.438 0.389 20 30 DCEDRP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001316747477 960363708 /nfs/dbraw/zinc/36/37/08/960363708.db2.gz JACJYKYMIJBJKD-IRXDYDNUSA-N 2 0 321.465 0.779 20 30 DCEDRP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001505606381 1016351877 /nfs/dbraw/zinc/35/18/77/1016351877.db2.gz QVSLYAJYJNQMJZ-ZIAGYGMSSA-N 2 0 305.426 0.564 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001507503448 1016428296 /nfs/dbraw/zinc/42/82/96/1016428296.db2.gz CBQNNZCPFFXBGV-CJNGLKHVSA-N 2 0 313.417 0.241 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCOCC)CC1 ZINC001505762164 1016531648 /nfs/dbraw/zinc/53/16/48/1016531648.db2.gz YKHAIADMPAFFFR-HUUCEWRRSA-N 2 0 309.454 0.851 20 30 DCEDRP N#C[C@H]1C[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001442539978 1009456705 /nfs/dbraw/zinc/45/67/05/1009456705.db2.gz KCNCVLOCYGHAHK-GDBMZVCRSA-N 2 0 313.405 0.870 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC001563751213 1012511186 /nfs/dbraw/zinc/51/11/86/1012511186.db2.gz JJHQQKNRQVEYSH-UHFFFAOYSA-N 2 0 302.422 0.983 20 30 DCEDRP COCC#CCN1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001506656277 1017440227 /nfs/dbraw/zinc/44/02/27/1017440227.db2.gz RLMSOZUANWPBDA-HUUCEWRRSA-N 2 0 307.438 0.415 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1OCC ZINC001479548006 1017579595 /nfs/dbraw/zinc/57/95/95/1017579595.db2.gz KTCZTNCIRXQHIF-GVDBMIGSSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001479660587 1017639936 /nfs/dbraw/zinc/63/99/36/1017639936.db2.gz CFWPHDBREXYXBP-CVEARBPZSA-N 2 0 307.438 0.247 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001480080890 1018190140 /nfs/dbraw/zinc/19/01/40/1018190140.db2.gz ADEXMYOKNJGXCF-IAGOWNOFSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001500171513 1018267963 /nfs/dbraw/zinc/26/79/63/1018267963.db2.gz WLLIVLRLQWRCGU-MRXNPFEDSA-N 2 0 308.470 0.733 20 30 DCEDRP COCC#CC[NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001480411452 1018506473 /nfs/dbraw/zinc/50/64/73/1018506473.db2.gz NDLVDQVUASMHIN-UHFFFAOYSA-N 2 0 307.438 0.749 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001480547729 1018646697 /nfs/dbraw/zinc/64/66/97/1018646697.db2.gz DPBDEDBOMODKDL-KGLIPLIRSA-N 2 0 324.469 0.503 20 30 DCEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001480607560 1018703441 /nfs/dbraw/zinc/70/34/41/1018703441.db2.gz BGLMCTDWPQEMOD-OAHLLOKOSA-N 2 0 324.469 0.459 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001480679111 1018767831 /nfs/dbraw/zinc/76/78/31/1018767831.db2.gz GSLBSMQRKOESDS-HZPDHXFCSA-N 2 0 307.438 0.416 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001480701367 1018788224 /nfs/dbraw/zinc/78/82/24/1018788224.db2.gz KRXJLOWDOHEUJP-IRXDYDNUSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001496431329 1019308100 /nfs/dbraw/zinc/30/81/00/1019308100.db2.gz WEARAKSESQKARX-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CCOC(C)C)CC1 ZINC001493806094 1019728196 /nfs/dbraw/zinc/72/81/96/1019728196.db2.gz FSJDHZDEQLZRAY-UHFFFAOYSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001499183594 1019837483 /nfs/dbraw/zinc/83/74/83/1019837483.db2.gz FVNFMZDVOKGYRJ-STQMWFEESA-N 2 0 308.426 0.010 20 30 DCEDRP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001494178905 1020052438 /nfs/dbraw/zinc/05/24/38/1020052438.db2.gz AQLZDFSHTDHBKE-HZPDHXFCSA-N 2 0 309.454 0.921 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)[C@@H](C)C#N ZINC000352412728 285282396 /nfs/dbraw/zinc/28/23/96/285282396.db2.gz IHRFMFMKOKEWDS-KBPBESRZSA-N 2 0 316.471 0.576 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCCN2CC[NH+](CC)CC2)CC1 ZINC000068080569 396044496 /nfs/dbraw/zinc/04/44/96/396044496.db2.gz HGCDVPFBNOPLQV-UHFFFAOYSA-N 2 0 320.481 0.475 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000458317892 397429336 /nfs/dbraw/zinc/42/93/36/397429336.db2.gz CJJCBXXZYIEVHC-GASCZTMLSA-N 2 0 324.469 0.733 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339438169 416157537 /nfs/dbraw/zinc/15/75/37/416157537.db2.gz ASIXAIRLDWTZGK-CJNGLKHVSA-N 2 0 308.426 0.804 20 30 DCEDRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329379751 416166756 /nfs/dbraw/zinc/16/67/56/416166756.db2.gz PNEVERAPTOZKIP-OAHLLOKOSA-N 2 0 309.458 0.363 20 30 DCEDRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000330283771 416200223 /nfs/dbraw/zinc/20/02/23/416200223.db2.gz WNSDVTRUDAOKEN-MRXNPFEDSA-N 2 0 323.485 0.610 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420341404 416418698 /nfs/dbraw/zinc/41/86/98/416418698.db2.gz ODIHDWVWYRSWOD-JSGCOSHPSA-N 2 0 308.426 0.851 20 30 DCEDRP C#CCNC(=O)CC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000491812421 416631736 /nfs/dbraw/zinc/63/17/36/416631736.db2.gz FGXVUNUBFHZOFL-MRXNPFEDSA-N 2 0 306.454 0.228 20 30 DCEDRP C=CC[C@]1(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCC[NH2+]1 ZINC000662737463 417879837 /nfs/dbraw/zinc/87/98/37/417879837.db2.gz ZOVXPSZDLHLHEU-CRAIPNDOSA-N 2 0 320.481 0.969 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000490650969 332844036 /nfs/dbraw/zinc/84/40/36/332844036.db2.gz PJOOULPXAXRCES-UHFFFAOYSA-N 2 0 321.465 0.901 20 30 DCEDRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cn2)CC1 ZINC000424199674 337807873 /nfs/dbraw/zinc/80/78/73/337807873.db2.gz ZEVMPZULNPJWKO-AWEZNQCLSA-N 2 0 316.409 0.793 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC000490829399 339841315 /nfs/dbraw/zinc/84/13/15/339841315.db2.gz AWZSVSTWQTXGHP-UHFFFAOYSA-N 2 0 321.465 0.683 20 30 DCEDRP CCOC(=O)N1CCC(NC(=[NH2+])NCC[NH2+]C(C)(C)C)CC1 ZINC000304758753 340368534 /nfs/dbraw/zinc/36/85/34/340368534.db2.gz QLFMXNVNWVOXBS-UHFFFAOYSA-N 2 0 313.446 0.900 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001567017031 1160210218 /nfs/dbraw/zinc/21/02/18/1160210218.db2.gz RWNFUAGGNJSRPP-AWEZNQCLSA-N 2 0 324.469 0.647 20 30 DCEDRP C=C(C)C[NH+]1CCC[C@](CO)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001569897875 1161306227 /nfs/dbraw/zinc/30/62/27/1161306227.db2.gz IAPQXOGQCOSNFC-RDJZCZTQSA-N 2 0 309.454 0.847 20 30 DCEDRP C[NH+]=C(NCCn1cncn1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262491590 526369465 /nfs/dbraw/zinc/36/94/65/526369465.db2.gz VCWWNDJLKGSOEQ-CQSZACIVSA-N 2 0 305.430 0.414 20 30 DCEDRP C[NH+]=C(NC[C@]1(O)CCSC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262459389 526379752 /nfs/dbraw/zinc/37/97/52/526379752.db2.gz XGSBXSPRQTXPBS-UKRRQHHQSA-N 2 0 310.467 0.376 20 30 DCEDRP C[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261984093 526392188 /nfs/dbraw/zinc/39/21/88/526392188.db2.gz POUDDGJICQIMML-WCQYABFASA-N 2 0 317.441 0.372 20 30 DCEDRP C[NH+]=C(NCc1c(C)noc1C)NC[C@H]1C[N@H+](C)CCN1C ZINC000261786010 526414049 /nfs/dbraw/zinc/41/40/49/526414049.db2.gz FWDYZAMQOJVXFS-ZDUSSCGKSA-N 2 0 308.430 0.202 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000377370992 526926986 /nfs/dbraw/zinc/92/69/86/526926986.db2.gz BBAJHBZUWMDSLA-HZPDHXFCSA-N 2 0 305.422 0.311 20 30 DCEDRP CCN(CCC#N)C(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182968884 528353760 /nfs/dbraw/zinc/35/37/60/528353760.db2.gz ZHFJKBJZSIJDOR-UHFFFAOYSA-N 2 0 309.458 0.318 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)C[C@@H](C)O)C2)CC1 ZINC001027693569 660626109 /nfs/dbraw/zinc/62/61/09/660626109.db2.gz GAGXEKWZSJXFSF-NVXWUHKLSA-N 2 0 321.465 0.635 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028036921 661093681 /nfs/dbraw/zinc/09/36/81/661093681.db2.gz IZDUOYBOTXNJBN-GARNVTTQSA-N 2 0 317.433 0.454 20 30 DCEDRP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000981208756 661101680 /nfs/dbraw/zinc/10/16/80/661101680.db2.gz BVNNEWUILLPHMO-HZPDHXFCSA-N 2 0 307.438 0.960 20 30 DCEDRP C#CCN1CC([C@H](C)NC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC000970420509 657486681 /nfs/dbraw/zinc/48/66/81/657486681.db2.gz PJHBIVYPLKYVCB-JSGCOSHPSA-N 2 0 300.406 0.824 20 30 DCEDRP C#CC[N@H+]1CCC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001023374313 657798516 /nfs/dbraw/zinc/79/85/16/657798516.db2.gz MPCYCLPNLUUMQV-OAHLLOKOSA-N 2 0 317.437 0.520 20 30 DCEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2CC#C)C1 ZINC001023424138 657845974 /nfs/dbraw/zinc/84/59/74/657845974.db2.gz PNZNQANSFLPPRI-SJORKVTESA-N 2 0 301.434 0.936 20 30 DCEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001022097262 658858685 /nfs/dbraw/zinc/85/86/85/658858685.db2.gz QSPBBNOQTGXPDO-OKILXGFUSA-N 2 0 305.426 0.871 20 30 DCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001025781316 659555723 /nfs/dbraw/zinc/55/57/23/659555723.db2.gz CDMUXYWYCTYLLL-SMLCLMEVSA-N 2 0 301.434 0.931 20 30 DCEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC000987169032 662650426 /nfs/dbraw/zinc/65/04/26/662650426.db2.gz ONTKNSSGZALPLS-ZFWWWQNUSA-N 2 0 305.426 0.823 20 30 DCEDRP C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000925452616 665169406 /nfs/dbraw/zinc/16/94/06/665169406.db2.gz XBVDZMYFBOXYGU-GJZGRUSLSA-N 2 0 322.453 0.837 20 30 DCEDRP C#CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001001756725 666098824 /nfs/dbraw/zinc/09/88/24/666098824.db2.gz IZFPQCPZNDJUJL-QGZVFWFLSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001001756721 666098889 /nfs/dbraw/zinc/09/88/89/666098889.db2.gz IWKVFKVHIWZDIB-MRXNPFEDSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001691146436 1157595414 /nfs/dbraw/zinc/59/54/14/1157595414.db2.gz ULMKQVNLGAJBKK-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000922607655 666492840 /nfs/dbraw/zinc/49/28/40/666492840.db2.gz JMRQIHVBJXEVTB-UHFFFAOYSA-N 2 0 308.426 0.106 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2C)CC1 ZINC000945178665 666577329 /nfs/dbraw/zinc/57/73/29/666577329.db2.gz FZORXFCTOSIUQL-DOTOQJQBSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490380 666730666 /nfs/dbraw/zinc/73/06/66/666730666.db2.gz RIUAEDWCNBERAU-INIZCTEOSA-N 2 0 317.437 0.614 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001698861806 1157694444 /nfs/dbraw/zinc/69/44/44/1157694444.db2.gz SANOZHPJTAOQMX-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CCOC)C2)CC1 ZINC001034538559 667065228 /nfs/dbraw/zinc/06/52/28/667065228.db2.gz PNVVVVRHOBVIQN-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CCO)CC2)CC1 ZINC001034798704 667149999 /nfs/dbraw/zinc/14/99/99/667149999.db2.gz MCVSTVIKJUONDE-WKILWMFISA-N 2 0 307.438 0.341 20 30 DCEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CC2 ZINC001035713223 667403278 /nfs/dbraw/zinc/40/32/78/667403278.db2.gz OYUADGOAHHMBJN-HOTGVXAUSA-N 2 0 317.433 0.407 20 30 DCEDRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884198814 667496384 /nfs/dbraw/zinc/49/63/84/667496384.db2.gz HUHSFUCDWUKQEV-BOLLXYOYSA-N 2 0 304.438 0.972 20 30 DCEDRP C=CCOC(=O)[C@@H](N)CC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000884227515 667504626 /nfs/dbraw/zinc/50/46/26/667504626.db2.gz RHDRWBWVXWIMCG-KGLIPLIRSA-N 2 0 311.426 0.766 20 30 DCEDRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884313870 667522183 /nfs/dbraw/zinc/52/21/83/667522183.db2.gz RICYMBXZRCZUNI-KRIMKBQASA-N 2 0 304.438 0.924 20 30 DCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000876869312 668523864 /nfs/dbraw/zinc/52/38/64/668523864.db2.gz DMWWYIQKEOFIKW-ZBFHGGJFSA-N 2 0 314.389 0.240 20 30 DCEDRP [NH3+]C[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000877359195 668609099 /nfs/dbraw/zinc/60/90/99/668609099.db2.gz ZHXFVSYYICFMPY-VXGBXAGGSA-N 2 0 303.328 0.585 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)CCO2 ZINC000949189330 670283908 /nfs/dbraw/zinc/28/39/08/670283908.db2.gz QFZZLSCFWWPHPF-CVEARBPZSA-N 2 0 319.449 0.511 20 30 DCEDRP C[NH+]=C(NCC[C@@H]1CCC[N@H+](C)C1)NCCN1CCOCC1 ZINC000849041246 670754394 /nfs/dbraw/zinc/75/43/94/670754394.db2.gz OKBBFNKJOKCYNB-HNNXBMFYSA-N 2 0 311.474 0.216 20 30 DCEDRP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)CC1(C)C ZINC000858136989 670973856 /nfs/dbraw/zinc/97/38/56/670973856.db2.gz BZMWRSXEYDFOOZ-VCHHOEMESA-N 2 0 306.410 0.975 20 30 DCEDRP COc1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1C#N ZINC000819181867 671101130 /nfs/dbraw/zinc/10/11/30/671101130.db2.gz CRPFWDFWGLRMCN-INIZCTEOSA-N 2 0 318.421 0.265 20 30 DCEDRP CCOCCCNC(=[NH2+])NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303769564 685206370 /nfs/dbraw/zinc/20/63/70/685206370.db2.gz BCLSAADQSSGEJS-OKILXGFUSA-N 2 0 300.447 0.817 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958170938 687402831 /nfs/dbraw/zinc/40/28/31/687402831.db2.gz CLVSJNPGJBVYQL-HOTGVXAUSA-N 2 0 321.465 0.847 20 30 DCEDRP C=CC[N@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](O)C1 ZINC000958598069 687785629 /nfs/dbraw/zinc/78/56/29/687785629.db2.gz HOXOZEZNHNLCIY-IUODEOHRSA-N 2 0 304.394 0.356 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCC=C)C[C@H]2O)CC1 ZINC000958725171 687877553 /nfs/dbraw/zinc/87/75/53/687877553.db2.gz WHMRZNWDAFFPRY-DLBZAZTESA-N 2 0 319.449 0.317 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001038809632 694198362 /nfs/dbraw/zinc/19/83/62/694198362.db2.gz JMZZIHQNURMHMB-OAHLLOKOSA-N 2 0 303.410 0.272 20 30 DCEDRP C#CCC[N@H+]1CC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001038809628 694198388 /nfs/dbraw/zinc/19/83/88/694198388.db2.gz JMZZIHQNURMHMB-HNNXBMFYSA-N 2 0 303.410 0.272 20 30 DCEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961279895 688587000 /nfs/dbraw/zinc/58/70/00/688587000.db2.gz IUFYNWRHTPNWBU-VCAPWORMSA-N 2 0 303.406 0.082 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CCCO)CC[C@@H]2C)CC1 ZINC000968682941 690365351 /nfs/dbraw/zinc/36/53/51/690365351.db2.gz WKNANCZBGUFZNR-RDJZCZTQSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCOC)CC[C@@H]2C)CC1 ZINC000968681620 690365427 /nfs/dbraw/zinc/36/54/27/690365427.db2.gz KQGGCSTWVHQBEQ-RDJZCZTQSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007987491 690784179 /nfs/dbraw/zinc/78/41/79/690784179.db2.gz CDAAHWDCUVJOIH-LPMVOBIJSA-N 2 0 317.433 0.454 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014455627 692024013 /nfs/dbraw/zinc/02/40/13/692024013.db2.gz AYUBRHKJPLOLNQ-CQSZACIVSA-N 2 0 305.426 0.825 20 30 DCEDRP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CN(C)CCO1 ZINC001017440056 692916204 /nfs/dbraw/zinc/91/62/04/692916204.db2.gz BKPXDCXSEHCNBP-OWCLPIDISA-N 2 0 307.438 0.958 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001018963197 693298437 /nfs/dbraw/zinc/29/84/37/693298437.db2.gz CYUWWHOOUDGBIB-GOEBONIOSA-N 2 0 305.422 0.454 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1=O ZINC001019394478 693460932 /nfs/dbraw/zinc/46/09/32/693460932.db2.gz IOZBJFZEAPLCOO-KKUMJFAQSA-N 2 0 322.453 0.304 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CC)CCCO2)CC1 ZINC001073899172 694798546 /nfs/dbraw/zinc/79/85/46/694798546.db2.gz MSFXESRRNDHEMR-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001571582626 1162826682 /nfs/dbraw/zinc/82/66/82/1162826682.db2.gz JPODYDQXGZULDG-HNNXBMFYSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001571609180 1162859574 /nfs/dbraw/zinc/85/95/74/1162859574.db2.gz YACGOHUAAKBXLA-SJORKVTESA-N 2 0 323.481 0.881 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001670469757 1157446924 /nfs/dbraw/zinc/44/69/24/1157446924.db2.gz LPSGLABQPURNJT-IRXDYDNUSA-N 2 0 321.465 0.993 20 30 DCEDRP C=C(C)C[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001691535314 1158316813 /nfs/dbraw/zinc/31/68/13/1158316813.db2.gz FBAUROZNVOMHMH-CVEARBPZSA-N 2 0 309.454 0.800 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001567155907 1160259215 /nfs/dbraw/zinc/25/92/15/1160259215.db2.gz ZVQHWDHGBOUKOO-INIZCTEOSA-N 2 0 301.434 0.793 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]C[C@@H](C)O)CC1 ZINC001568153046 1160587072 /nfs/dbraw/zinc/58/70/72/1160587072.db2.gz HGNZTADVJVRJSX-GDBMZVCRSA-N 2 0 307.438 0.293 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001568991836 1160911380 /nfs/dbraw/zinc/91/13/80/1160911380.db2.gz LXGRHCNCNMYCTA-KGLIPLIRSA-N 2 0 310.442 0.256 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001569560952 1161149764 /nfs/dbraw/zinc/14/97/64/1161149764.db2.gz LLJNOYLQBACCQW-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCOCC1 ZINC001569730129 1161209615 /nfs/dbraw/zinc/20/96/15/1161209615.db2.gz DHJXCUMQJGYCSF-CVEARBPZSA-N 2 0 319.449 0.892 20 30 DCEDRP C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001569748780 1161220170 /nfs/dbraw/zinc/22/01/70/1161220170.db2.gz IUTZNOFJSONBEF-UKRRQHHQSA-N 2 0 301.406 0.405 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001569856242 1161286651 /nfs/dbraw/zinc/28/66/51/1161286651.db2.gz RVSAUEKDYMJYBM-CVEARBPZSA-N 2 0 307.438 0.416 20 30 DCEDRP C=C(C)C[NH+]1CCC[C@@](CO)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001569897873 1161304829 /nfs/dbraw/zinc/30/48/29/1161304829.db2.gz IAPQXOGQCOSNFC-NVXWUHKLSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CCN(C)c1nnc(C2CC[NH2+]CC2)n1C[C@H](C)[NH+](C)C ZINC001574603672 1163734819 /nfs/dbraw/zinc/73/48/19/1163734819.db2.gz CQKVFQODYSKOOO-ZDUSSCGKSA-N 2 0 304.442 0.765 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC001574673706 1163738632 /nfs/dbraw/zinc/73/86/32/1163738632.db2.gz OTWDDQYDEGYIAB-IJEWVQPXSA-N 2 0 304.438 0.771 20 30 DCEDRP C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C1=CC[N@H+](C)CC1 ZINC001576186699 1164263284 /nfs/dbraw/zinc/26/32/84/1164263284.db2.gz QJPOLCCABLIDQA-ZCYLDUCGSA-N 2 0 302.422 0.892 20 30 DCEDRP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001577670284 1164759887 /nfs/dbraw/zinc/75/98/87/1164759887.db2.gz ZWHLKZNSDQHTRW-LXZKKBNFSA-N 2 0 322.453 0.823 20 30 DCEDRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001647556490 1172969601 /nfs/dbraw/zinc/96/96/01/1172969601.db2.gz FQZRQTNMWAPUSD-ZDUSSCGKSA-N 2 0 324.375 0.534 20 30 DCEDRP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001661895401 1174168449 /nfs/dbraw/zinc/16/84/49/1174168449.db2.gz DZMWDXAOUMQZRN-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001662681086 1174231320 /nfs/dbraw/zinc/23/13/20/1174231320.db2.gz YAHZJOSFBLBHII-CABCVRRESA-N 2 0 322.453 0.163 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001662780312 1174240336 /nfs/dbraw/zinc/24/03/36/1174240336.db2.gz XSDNKDZUBKUXFA-KBPBESRZSA-N 2 0 310.442 0.257 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)C(C)(C)C[NH+]2CCOCC2)CCCC1 ZINC001666767951 1174635968 /nfs/dbraw/zinc/63/59/68/1174635968.db2.gz ZASPPMNTNNYCPM-UHFFFAOYSA-N 2 0 321.465 0.997 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001668122850 1174761130 /nfs/dbraw/zinc/76/11/30/1174761130.db2.gz TXEICUAKJNTHKU-CQSZACIVSA-N 2 0 322.453 0.401 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001671364123 1175009861 /nfs/dbraw/zinc/00/98/61/1175009861.db2.gz DNBXKNHRDZWASH-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001672043711 1175070805 /nfs/dbraw/zinc/07/08/05/1175070805.db2.gz AOPNPMZHLFZHBR-AEFFLSMTSA-N 2 0 321.465 0.683 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001672529258 1175123198 /nfs/dbraw/zinc/12/31/98/1175123198.db2.gz BXYVZVXEMQVOHZ-JKSUJKDBSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CCO1 ZINC001673323075 1175190555 /nfs/dbraw/zinc/19/05/55/1175190555.db2.gz SOFRUXOCNNTDKP-OAHLLOKOSA-N 2 0 321.425 0.061 20 30 DCEDRP C=CCC[NH+]1CCC(CO)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001674330065 1175270382 /nfs/dbraw/zinc/27/03/82/1175270382.db2.gz HZBLYWANAREDHY-UHFFFAOYSA-N 2 0 307.438 0.601 20 30 DCEDRP C=CCOCC[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001675360411 1175351077 /nfs/dbraw/zinc/35/10/77/1175351077.db2.gz YKYPAPWHMDEHIJ-HUUCEWRRSA-N 2 0 309.454 0.967 20 30 DCEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC#CC[NH+](C)C)C1 ZINC001675861697 1175397601 /nfs/dbraw/zinc/39/76/01/1175397601.db2.gz AARLEFKJUTWFDA-OAHLLOKOSA-N 2 0 310.442 0.207 20 30 DCEDRP C=CCNC(=O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001676079087 1175417579 /nfs/dbraw/zinc/41/75/79/1175417579.db2.gz JDAIPDLFJOCFME-CQSZACIVSA-N 2 0 322.453 0.163 20 30 DCEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001676264170 1175432808 /nfs/dbraw/zinc/43/28/08/1175432808.db2.gz WQFLKKZNORFPIJ-INIZCTEOSA-N 2 0 307.438 0.557 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001677121334 1175531075 /nfs/dbraw/zinc/53/10/75/1175531075.db2.gz RMQHMCXHPPAUBA-CVEARBPZSA-N 2 0 309.454 0.683 20 30 DCEDRP C#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001677511403 1175572284 /nfs/dbraw/zinc/57/22/84/1175572284.db2.gz RMGATQVJSICANG-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP CC#CC[NH2+]CCOCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001677519625 1175574139 /nfs/dbraw/zinc/57/41/39/1175574139.db2.gz IGEMRSYXBGGUOD-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP C=C(C)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H](CC)[NH+](C)C)n1 ZINC001689140833 1176706397 /nfs/dbraw/zinc/70/63/97/1176706397.db2.gz UNGCHAPSBRRVDX-ZDUSSCGKSA-N 2 0 321.425 0.804 20 30 DCEDRP CC#CC[N@H+](C)CCOCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001689250778 1176767277 /nfs/dbraw/zinc/76/72/77/1176767277.db2.gz DEUCDYVPHYOTGH-UHFFFAOYSA-N 2 0 309.454 0.758 20 30 DCEDRP C=CCN1CC[C@@H]([N@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001689793584 1177043580 /nfs/dbraw/zinc/04/35/80/1177043580.db2.gz PIWVQCFMHKXOTR-HUUCEWRRSA-N 2 0 322.453 0.306 20 30 DCEDRP C=CCN1CC[NH+](CCCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001690064192 1177157876 /nfs/dbraw/zinc/15/78/76/1177157876.db2.gz DUUIOLLXXZDVCS-INIZCTEOSA-N 2 0 308.470 0.638 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001690362283 1177223347 /nfs/dbraw/zinc/22/33/47/1177223347.db2.gz XJTAEKVLFWCBGM-NXOAAHMSSA-N 2 0 321.465 0.993 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001690362281 1177223972 /nfs/dbraw/zinc/22/39/72/1177223972.db2.gz XJTAEKVLFWCBGM-MWDXBVQZSA-N 2 0 321.465 0.993 20 30 DCEDRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]CC#CCOC)C1 ZINC001690614195 1177281612 /nfs/dbraw/zinc/28/16/12/1177281612.db2.gz FLSSDUNADCFEBQ-CVEARBPZSA-N 2 0 309.454 0.853 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001690649389 1177294471 /nfs/dbraw/zinc/29/44/71/1177294471.db2.gz WWCXUOPNCRZMEM-MRXNPFEDSA-N 2 0 309.454 0.997 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001691947562 1177388392 /nfs/dbraw/zinc/38/83/92/1177388392.db2.gz FJQBBIZEXXHSPW-HRCADAONSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@H+](C)CCCO)C2)CC1 ZINC001691999332 1177400032 /nfs/dbraw/zinc/40/00/32/1177400032.db2.gz RZTBHNSZOCYONP-MRXNPFEDSA-N 2 0 321.465 0.494 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001698947524 1177733112 /nfs/dbraw/zinc/73/31/12/1177733112.db2.gz ASNLLZKEMGLHQD-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCOCC[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699001625 1177764941 /nfs/dbraw/zinc/76/49/41/1177764941.db2.gz LMBYCGGPKCWTLX-INIZCTEOSA-N 2 0 309.454 0.921 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001699383222 1178112399 /nfs/dbraw/zinc/11/23/99/1178112399.db2.gz AZJRCKDLAHYZOR-HUUCEWRRSA-N 2 0 324.469 0.503 20 30 DCEDRP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001699878917 1178327128 /nfs/dbraw/zinc/32/71/28/1178327128.db2.gz DXPOZRXNMBSYQE-AEFFLSMTSA-N 2 0 321.465 0.806 20 30 DCEDRP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001699908106 1178365543 /nfs/dbraw/zinc/36/55/43/1178365543.db2.gz VBBDRTRZTMTSEL-DOTOQJQBSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001699970999 1178401821 /nfs/dbraw/zinc/40/18/21/1178401821.db2.gz DSKBSQWKIQHTQK-JKSUJKDBSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001699972115 1178402486 /nfs/dbraw/zinc/40/24/86/1178402486.db2.gz KPTDYPCEKAZTTR-GJZGRUSLSA-N 2 0 309.454 0.967 20 30 DCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1C ZINC001699971389 1178402905 /nfs/dbraw/zinc/40/29/05/1178402905.db2.gz PKKCCWJUIBPBGF-GJZGRUSLSA-N 2 0 319.453 0.928 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001700181427 1178520711 /nfs/dbraw/zinc/52/07/11/1178520711.db2.gz VNFAVKGIPXUBMP-HUUCEWRRSA-N 2 0 324.469 0.600 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001700233099 1178543674 /nfs/dbraw/zinc/54/36/74/1178543674.db2.gz MXUBDHITBUQUQF-SJLPKXTDSA-N 2 0 321.465 0.826 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001700236823 1178546264 /nfs/dbraw/zinc/54/62/64/1178546264.db2.gz QWVZKKCFUSBKOI-WBVHZDCISA-N 2 0 307.438 0.437 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001700319729 1178580225 /nfs/dbraw/zinc/58/02/25/1178580225.db2.gz DTWIIEIKSHVFAH-LSDHHAIUSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001700358579 1178594553 /nfs/dbraw/zinc/59/45/53/1178594553.db2.gz YFRQBXPYHLWXDH-CABCVRRESA-N 2 0 324.469 0.552 20 30 DCEDRP CC#CC[N@H+](C)CCOCCNC(=O)[C@H]1CCn2cncc2C1 ZINC001700703689 1178713437 /nfs/dbraw/zinc/71/34/37/1178713437.db2.gz BDFWYBCUGPQCCL-HNNXBMFYSA-N 2 0 318.421 0.533 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001700722768 1178722309 /nfs/dbraw/zinc/72/23/09/1178722309.db2.gz ZKHKEOLFGUUURK-DJIMGWMZSA-N 2 0 321.465 0.803 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001700914064 1178800845 /nfs/dbraw/zinc/80/08/45/1178800845.db2.gz VITPCZDZQDGRKB-CABCVRRESA-N 2 0 322.453 0.259 20 30 DCEDRP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001707208580 1180434340 /nfs/dbraw/zinc/43/43/40/1180434340.db2.gz LSDLVLUGVDSSRB-KRWDZBQOSA-N 2 0 321.465 0.637 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCOC)C2)CC1 ZINC001713064589 1180657819 /nfs/dbraw/zinc/65/78/19/1180657819.db2.gz YTBNLEKXHFEYRE-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCCC[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001713079213 1180672118 /nfs/dbraw/zinc/67/21/18/1180672118.db2.gz ZIJPVCFDXDJWAB-MRXNPFEDSA-N 2 0 308.470 0.638 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001713513385 1180884337 /nfs/dbraw/zinc/88/43/37/1180884337.db2.gz DKSWSTJTXGSFIL-JKSUJKDBSA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001713630267 1180978644 /nfs/dbraw/zinc/97/86/44/1180978644.db2.gz JNPVGASDSSKEKA-CYBMUJFWSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CCC[NH+]1CCN(CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001713745120 1181039580 /nfs/dbraw/zinc/03/95/80/1181039580.db2.gz ULOFZMGEMAXQME-INIZCTEOSA-N 2 0 306.454 0.037 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001714391304 1181347490 /nfs/dbraw/zinc/34/74/90/1181347490.db2.gz PVMVHTATKCCSCS-ZBFHGGJFSA-N 2 0 307.438 0.320 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001714604686 1181434575 /nfs/dbraw/zinc/43/45/75/1181434575.db2.gz CZPBYQXWRMZPHZ-HOCLYGCPSA-N 2 0 307.438 0.415 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC#CCOC)C1 ZINC001714634334 1181454352 /nfs/dbraw/zinc/45/43/52/1181454352.db2.gz LYSAVRDRELSWHQ-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001714731973 1181512048 /nfs/dbraw/zinc/51/20/48/1181512048.db2.gz VJEKYCVKQJBVFU-JYJNAYRXSA-N 2 0 309.454 0.803 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CCCOC)CC1 ZINC001714878706 1181582392 /nfs/dbraw/zinc/58/23/92/1181582392.db2.gz HJVNJWQPXYWIOI-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCCC1 ZINC001715302716 1181766819 /nfs/dbraw/zinc/76/68/19/1181766819.db2.gz DDZPAMPIGYKSTN-UHFFFAOYSA-N 2 0 309.454 0.997 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001715379222 1181795601 /nfs/dbraw/zinc/79/56/01/1181795601.db2.gz SSVGENZSBYUHJE-GJZGRUSLSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001715491741 1181828003 /nfs/dbraw/zinc/82/80/03/1181828003.db2.gz UPQCMMCPJKZHGY-KBPBESRZSA-N 2 0 310.442 0.113 20 30 DCEDRP C#CC[NH2+][C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)C(C)C ZINC001715592975 1181881968 /nfs/dbraw/zinc/88/19/68/1181881968.db2.gz DSBWMCFGAVSDEK-OAHLLOKOSA-N 2 0 309.454 0.708 20 30 DCEDRP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001715608549 1181895106 /nfs/dbraw/zinc/89/51/06/1181895106.db2.gz OHVIWBLQWWSRMA-MRXNPFEDSA-N 2 0 309.454 0.751 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CC2CCCC2)CC1 ZINC001715615728 1181900736 /nfs/dbraw/zinc/90/07/36/1181900736.db2.gz MQUIGJAVIHHQTM-QGZVFWFLSA-N 2 0 321.465 0.589 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]Cc2cnon2)CC1 ZINC001715705978 1181949395 /nfs/dbraw/zinc/94/93/95/1181949395.db2.gz CXILPHWOHSBVRZ-ZDUSSCGKSA-N 2 0 319.409 0.399 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCN(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001715774432 1181988426 /nfs/dbraw/zinc/98/84/26/1181988426.db2.gz WEWJJXALPLCRKF-HUUCEWRRSA-N 2 0 322.453 0.163 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001715979409 1182129411 /nfs/dbraw/zinc/12/94/11/1182129411.db2.gz NJOIOJYWELOOAP-STQMWFEESA-N 2 0 310.442 0.256 20 30 DCEDRP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC#CCOC ZINC001716637213 1182472218 /nfs/dbraw/zinc/47/22/18/1182472218.db2.gz OOJIZSXVIFLNTJ-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([C@H](C)[NH2+]CCCO)C2)CC1 ZINC001716975274 1182608074 /nfs/dbraw/zinc/60/80/74/1182608074.db2.gz KZGNUMVQHNNEFQ-DOTOQJQBSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC001717059809 1182657851 /nfs/dbraw/zinc/65/78/51/1182657851.db2.gz ZQPVGSGXFZNPST-OAHLLOKOSA-N 2 0 318.421 0.188 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H](CC[NH2+]CC#CCOC)C1 ZINC001717105659 1182679593 /nfs/dbraw/zinc/67/95/93/1182679593.db2.gz YHBSTLKDDCIEPG-MRXNPFEDSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CC#CCOC)CC1 ZINC001717498450 1182865146 /nfs/dbraw/zinc/86/51/46/1182865146.db2.gz BIOBQAPNDYFINN-MRXNPFEDSA-N 2 0 319.449 0.418 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001717801828 1183007355 /nfs/dbraw/zinc/00/73/55/1183007355.db2.gz IHSDDLWHLFFARL-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[N@@H+](C)CCCC)CC1 ZINC001717944483 1183083839 /nfs/dbraw/zinc/08/38/39/1183083839.db2.gz LFDVDBMSDSQHRZ-QGZVFWFLSA-N 2 0 323.481 0.883 20 30 DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001724903835 1184613017 /nfs/dbraw/zinc/61/30/17/1184613017.db2.gz JPCBIHYVKDFTRU-WBVHZDCISA-N 2 0 307.438 0.437 20 30 DCEDRP C=C(C)CC[NH2+]CC1(O)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001724986782 1184645732 /nfs/dbraw/zinc/64/57/32/1184645732.db2.gz VCMYUQFETJEUNW-UHFFFAOYSA-N 2 0 321.465 0.992 20 30 DCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001725021108 1184660562 /nfs/dbraw/zinc/66/05/62/1184660562.db2.gz JVAQDGSKKKLYKV-HNNXBMFYSA-N 2 0 307.438 0.437 20 30 DCEDRP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001725102365 1184684580 /nfs/dbraw/zinc/68/45/80/1184684580.db2.gz XJXWLGHJGHCABO-HUUCEWRRSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001725720019 1184971061 /nfs/dbraw/zinc/97/10/61/1184971061.db2.gz TXFWBBZGIKHOMV-MRXNPFEDSA-N 2 0 323.481 0.883 20 30 DCEDRP CCC[N@H+](C)CC(=O)NCC1=CC[NH+](CC#CCOC)CC1 ZINC001725833532 1185021959 /nfs/dbraw/zinc/02/19/59/1185021959.db2.gz LOMWRFQYWCIUTI-UHFFFAOYSA-N 2 0 307.438 0.726 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC#CCOC ZINC001753007768 1185159790 /nfs/dbraw/zinc/15/97/90/1185159790.db2.gz AMGOEECHXZIAPI-HOTGVXAUSA-N 2 0 305.422 0.218 20 30 DCEDRP C=CCC[NH+]1CCN(CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001731363348 1185296310 /nfs/dbraw/zinc/29/63/10/1185296310.db2.gz WGICDXQPLSSDEO-MRXNPFEDSA-N 2 0 308.470 0.638 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCCO)C2)CC1 ZINC001731706108 1185451281 /nfs/dbraw/zinc/45/12/81/1185451281.db2.gz XWVBYQALWALRQS-DLBZAZTESA-N 2 0 321.465 0.731 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001731727321 1185460164 /nfs/dbraw/zinc/46/01/64/1185460164.db2.gz HVVIVMYMHJMEPX-GDBMZVCRSA-N 2 0 307.438 0.462 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001731860088 1185536371 /nfs/dbraw/zinc/53/63/71/1185536371.db2.gz IEFRHCBABBWBNX-HOTGVXAUSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001732421218 1185810003 /nfs/dbraw/zinc/81/00/03/1185810003.db2.gz NTIVIGVBZXWJOM-QLFBSQMISA-N 2 0 324.469 0.455 20 30 DCEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001733189429 1186174753 /nfs/dbraw/zinc/17/47/53/1186174753.db2.gz DIDXNDMEPQXTSJ-GOEBONIOSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[N@@H+](CCOC)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001733280313 1186210165 /nfs/dbraw/zinc/21/01/65/1186210165.db2.gz GVQMVIFIWGTEQT-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CCN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](CCO)CC1 ZINC001733372163 1186244726 /nfs/dbraw/zinc/24/47/26/1186244726.db2.gz CCLIPPNLWJGUKA-UHFFFAOYSA-N 2 0 307.438 0.247 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001733491517 1186298932 /nfs/dbraw/zinc/29/89/32/1186298932.db2.gz ONYQAZOPGMKJAP-QGZVFWFLSA-N 2 0 309.454 0.541 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001733820075 1186460889 /nfs/dbraw/zinc/46/08/89/1186460889.db2.gz DOISRUUATBKOKQ-BQFCYCMXSA-N 2 0 321.465 0.683 20 30 DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001733825574 1186464095 /nfs/dbraw/zinc/46/40/95/1186464095.db2.gz AYIYADHHZHRHPP-SFHVURJKSA-N 2 0 321.465 0.829 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001733884605 1186486003 /nfs/dbraw/zinc/48/60/03/1186486003.db2.gz ZZXGBQNYRYBZSG-INIZCTEOSA-N 2 0 319.449 0.295 20 30 DCEDRP C=CCC[NH2+]CC1(O)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001733887747 1186487488 /nfs/dbraw/zinc/48/74/88/1186487488.db2.gz JTYXATCWLGIMLV-UHFFFAOYSA-N 2 0 309.454 0.847 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001733888845 1186487785 /nfs/dbraw/zinc/48/77/85/1186487785.db2.gz KEOJPLKICXHEGU-UHFFFAOYSA-N 2 0 321.465 0.829 20 30 DCEDRP C=CCC[NH+]1CCC(CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001733913671 1186495428 /nfs/dbraw/zinc/49/54/28/1186495428.db2.gz VRCQWHZRGASYHQ-INIZCTEOSA-N 2 0 321.465 0.847 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001734479579 1186663542 /nfs/dbraw/zinc/66/35/42/1186663542.db2.gz XKBNVYPALAKINX-CVEARBPZSA-N 2 0 321.465 0.853 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001752681298 1188433144 /nfs/dbraw/zinc/43/31/44/1188433144.db2.gz GELZICVNSTWXEB-IHRRRGAJSA-N 2 0 320.437 0.010 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001752891173 1188456987 /nfs/dbraw/zinc/45/69/87/1188456987.db2.gz FVVBSHPNOFVSMV-CYBMUJFWSA-N 2 0 310.442 0.257 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001753218794 1188538293 /nfs/dbraw/zinc/53/82/93/1188538293.db2.gz BANBTLIZRPSMLO-CQSZACIVSA-N 2 0 324.469 0.600 20 30 DCEDRP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001753358794 1188573215 /nfs/dbraw/zinc/57/32/15/1188573215.db2.gz BKAHPTJBROIXQP-IAGOWNOFSA-N 2 0 321.465 0.758 20 30 DCEDRP C=CCNC(=O)[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C(C)C ZINC001753427504 1188592622 /nfs/dbraw/zinc/59/26/22/1188592622.db2.gz KBTGDLWFEUTUIF-ILXRZTDVSA-N 2 0 322.453 0.302 20 30 DCEDRP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC#CCOC ZINC001753481785 1188607008 /nfs/dbraw/zinc/60/70/08/1188607008.db2.gz YIOCTWQIJBBGEU-HNNXBMFYSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+]C[C@@H](C)O)CCCC2)CC1 ZINC001753511616 1188612383 /nfs/dbraw/zinc/61/23/83/1188612383.db2.gz JNCUENPWJFATGR-OAHLLOKOSA-N 2 0 321.465 0.731 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001753837931 1188662259 /nfs/dbraw/zinc/66/22/59/1188662259.db2.gz MBBKQDQRFRGDTL-INIZCTEOSA-N 2 0 309.454 0.708 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001753933383 1188688644 /nfs/dbraw/zinc/68/86/44/1188688644.db2.gz KIQXXMIOLNCEMP-IRXDYDNUSA-N 2 0 317.433 0.769 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001754414321 1188849103 /nfs/dbraw/zinc/84/91/03/1188849103.db2.gz ZZKCACFMTDBPLG-KGLIPLIRSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@](C)(C[NH2+]C[C@@H](C)O)C2)CC1 ZINC001754712301 1188909747 /nfs/dbraw/zinc/90/97/47/1188909747.db2.gz HPOIYLCKVQGLON-CRAIPNDOSA-N 2 0 321.465 0.541 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001754874513 1188956041 /nfs/dbraw/zinc/95/60/41/1188956041.db2.gz BCIHCHZGWCQMEQ-GVDBMIGSSA-N 2 0 319.449 0.511 20 30 DCEDRP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001754942120 1188977666 /nfs/dbraw/zinc/97/76/66/1188977666.db2.gz GSHFOZCFNZTGRT-IRXDYDNUSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001755088318 1189018739 /nfs/dbraw/zinc/01/87/39/1189018739.db2.gz RNWLGNQRMUROKH-FUHWJXTLSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)C[N@@H+](C)C(C)C)CCO2 ZINC001755174254 1189045379 /nfs/dbraw/zinc/04/53/79/1189045379.db2.gz OGQTUJFTPXRFOR-UHFFFAOYSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@H]([C@@H](C)[NH2+]CCC)C2)CC1 ZINC001755448901 1189116040 /nfs/dbraw/zinc/11/60/40/1189116040.db2.gz YUNIDVYQJIDHMQ-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[N@@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001755533570 1189138913 /nfs/dbraw/zinc/13/89/13/1189138913.db2.gz XDWDXKSJNJLRIH-UHFFFAOYSA-N 2 0 310.442 0.163 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001755573080 1189150736 /nfs/dbraw/zinc/15/07/36/1189150736.db2.gz MGSWSZBXPBFWLU-GJZGRUSLSA-N 2 0 322.453 0.067 20 30 DCEDRP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001755800372 1189220688 /nfs/dbraw/zinc/22/06/88/1189220688.db2.gz HLBJZKWETYALFZ-JKSUJKDBSA-N 2 0 307.438 0.103 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N(CC[NH3+])CC(F)(F)F)C2 ZINC001771874345 1190538311 /nfs/dbraw/zinc/53/83/11/1190538311.db2.gz HKIZQASOWZTMQG-SQLBVSGCSA-N 2 0 304.316 0.475 20 30 DCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001077553123 751441870 /nfs/dbraw/zinc/44/18/70/751441870.db2.gz BUCXWJJIQULMFA-BZUAXINKSA-N 2 0 309.454 0.846 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127690211 751638781 /nfs/dbraw/zinc/63/87/81/751638781.db2.gz HLTZSHFHRRZRBI-HUUCEWRRSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001206928775 747037408 /nfs/dbraw/zinc/03/74/08/747037408.db2.gz IQQPONIWCREWJL-UHFFFAOYSA-N 2 0 322.453 0.213 20 30 DCEDRP C#CCC[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083248267 747421841 /nfs/dbraw/zinc/42/18/41/747421841.db2.gz YLTGLFSINPBIIV-OWCLPIDISA-N 2 0 305.422 0.263 20 30 DCEDRP C=CCC[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083247827 747422179 /nfs/dbraw/zinc/42/21/79/747422179.db2.gz GMJHAMBZRJWKQI-OWCLPIDISA-N 2 0 307.438 0.816 20 30 DCEDRP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083248284 747422450 /nfs/dbraw/zinc/42/24/50/747422450.db2.gz YSQHZYVODXRWDS-HRCADAONSA-N 2 0 307.438 0.816 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)C[NH+](CC)CC)C1 ZINC001100769527 747900521 /nfs/dbraw/zinc/90/05/21/747900521.db2.gz OHSRXVQAENYPLG-UHFFFAOYSA-N 2 0 310.442 0.115 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168029150 749090032 /nfs/dbraw/zinc/09/00/32/749090032.db2.gz CWNCWWAMMRGHNW-CVEARBPZSA-N 2 0 307.438 0.749 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088172022 749276767 /nfs/dbraw/zinc/27/67/67/749276767.db2.gz RMYRMVIHLMHCNY-CVEARBPZSA-N 2 0 301.434 0.886 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3C)C[C@@H]2C1 ZINC001088202289 749286646 /nfs/dbraw/zinc/28/66/46/749286646.db2.gz TXRFCDPJFITJRN-CVEARBPZSA-N 2 0 300.406 0.995 20 30 DCEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001088427213 749436503 /nfs/dbraw/zinc/43/65/03/749436503.db2.gz PTXGYFFHASVVQG-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP C=C(C)CN1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001083460394 749799361 /nfs/dbraw/zinc/79/93/61/749799361.db2.gz FTSPONKSCVTULT-CABCVRRESA-N 2 0 309.454 0.988 20 30 DCEDRP C#CCCN1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001083460302 749799797 /nfs/dbraw/zinc/79/97/97/749799797.db2.gz AAHVZICJDANGBH-CABCVRRESA-N 2 0 307.438 0.436 20 30 DCEDRP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001120449966 750648638 /nfs/dbraw/zinc/64/86/38/750648638.db2.gz QSLYPAVWFCWZRO-SJORKVTESA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127317066 751093505 /nfs/dbraw/zinc/09/35/05/751093505.db2.gz HPUZYVQSCSOSCD-AWEZNQCLSA-N 2 0 324.469 0.647 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001046696918 753881170 /nfs/dbraw/zinc/88/11/70/753881170.db2.gz XXADVPBGKBFTOY-QGZVFWFLSA-N 2 0 317.437 0.662 20 30 DCEDRP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001047384327 754231796 /nfs/dbraw/zinc/23/17/96/754231796.db2.gz WJMNDLNKQLOQPI-JYJNAYRXSA-N 2 0 307.438 0.408 20 30 DCEDRP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001047408933 754256261 /nfs/dbraw/zinc/25/62/61/754256261.db2.gz KCASTXCYOFOGEL-ULQDDVLXSA-N 2 0 321.465 0.776 20 30 DCEDRP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001047408932 754257256 /nfs/dbraw/zinc/25/72/56/754257256.db2.gz KCASTXCYOFOGEL-IKGGRYGDSA-N 2 0 321.465 0.776 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001128782782 754282660 /nfs/dbraw/zinc/28/26/60/754282660.db2.gz BRGOJRJFNAYGAL-ZIAGYGMSSA-N 2 0 310.442 0.257 20 30 DCEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001047442501 754286960 /nfs/dbraw/zinc/28/69/60/754286960.db2.gz FLMVTCYYAAHPAX-GJZGRUSLSA-N 2 0 305.422 0.142 20 30 DCEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC001090353327 755655760 /nfs/dbraw/zinc/65/57/60/755655760.db2.gz BDMHNJSAGSAIMT-JKSUJKDBSA-N 2 0 321.465 0.990 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082202061 756975502 /nfs/dbraw/zinc/97/55/02/756975502.db2.gz CSGGQHKNBNTQKA-HZPDHXFCSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[NH+](CC#C)CC3)CC1 ZINC001050764586 758037863 /nfs/dbraw/zinc/03/78/63/758037863.db2.gz FFYHUSXWBLVZCD-UHFFFAOYSA-N 2 0 313.445 0.889 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147824503 767853238 /nfs/dbraw/zinc/85/32/38/767853238.db2.gz KHBJXHPCSDVAAC-ZIAGYGMSSA-N 2 0 310.442 0.115 20 30 DCEDRP N#Cc1nc(Br)cnc1-n1cncc1C[C@@H]([NH3+])CO ZINC001169073219 760572410 /nfs/dbraw/zinc/57/24/10/760572410.db2.gz CYDPXKZUXZQSRH-SSDOTTSWSA-N 2 0 323.154 0.159 20 30 DCEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H](Cn1cccn1)N(C)C ZINC001129386543 761316808 /nfs/dbraw/zinc/31/68/08/761316808.db2.gz MTQDQNUMFJLECJ-HUUCEWRRSA-N 2 0 307.442 0.874 20 30 DCEDRP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C1CCC1)C[C@@H](C)O2 ZINC001071175822 761684291 /nfs/dbraw/zinc/68/42/91/761684291.db2.gz LRGRSLKESKWJSK-CRAIPNDOSA-N 2 0 319.449 0.796 20 30 DCEDRP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@H](C)O2 ZINC001071227225 761724451 /nfs/dbraw/zinc/72/44/51/761724451.db2.gz BEBRBZCLTBPNLP-YJBOKZPZSA-N 2 0 319.449 0.960 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001130198192 763173280 /nfs/dbraw/zinc/17/32/80/763173280.db2.gz ZFJUAKXMDYQFDV-CQSZACIVSA-N 2 0 312.458 0.457 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130303937 763223234 /nfs/dbraw/zinc/22/32/34/763223234.db2.gz OLWTVWQQTGJXHY-HNNXBMFYSA-N 2 0 322.453 0.377 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1cn(C)cn1 ZINC001130708435 763455247 /nfs/dbraw/zinc/45/52/47/763455247.db2.gz POMASPDYJQLMQY-GOEBONIOSA-N 2 0 317.437 0.279 20 30 DCEDRP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](CC)CC)C[C@H](C)O2 ZINC001131691933 763951631 /nfs/dbraw/zinc/95/16/31/763951631.db2.gz BRBFLFHXBKNEHG-DOTOQJQBSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790771 764014422 /nfs/dbraw/zinc/01/44/22/764014422.db2.gz VKICSDKHSXJSJM-DZGCQCFKSA-N 2 0 322.453 0.257 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001098478865 764377366 /nfs/dbraw/zinc/37/73/66/764377366.db2.gz HVYBERRFPXAGHS-RDJZCZTQSA-N 2 0 321.465 0.493 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040409 764798184 /nfs/dbraw/zinc/79/81/84/764798184.db2.gz PVQKNFNZVVIOFB-UHFFFAOYSA-N 2 0 312.458 0.459 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133850093 765183346 /nfs/dbraw/zinc/18/33/46/765183346.db2.gz IXHABWJXBYNKTH-HNNXBMFYSA-N 2 0 322.453 0.235 20 30 DCEDRP C=C(Cl)C[NH2+]CCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134054472 765313958 /nfs/dbraw/zinc/31/39/58/765313958.db2.gz KTBPAOCUUDRTAC-CYBMUJFWSA-N 2 0 303.834 0.946 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCC)C[C@H]32)CC1 ZINC001115290429 765676899 /nfs/dbraw/zinc/67/68/99/765676899.db2.gz SRQTVFBJKZLUGG-FVQHAEBGSA-N 2 0 319.449 0.415 20 30 DCEDRP O=C(NCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1N=CC=CC1=O ZINC001116467134 765873980 /nfs/dbraw/zinc/87/39/80/765873980.db2.gz SKTRNLVPVPIXOL-MMEFHMBZSA-N 2 0 304.394 0.729 20 30 DCEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001086763201 766093003 /nfs/dbraw/zinc/09/30/03/766093003.db2.gz XPNXQESPCCPGTM-CLEAANHHSA-N 2 0 317.433 0.357 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]C[C@@H](C)O)C2)CC1 ZINC001091377157 767238756 /nfs/dbraw/zinc/23/87/56/767238756.db2.gz BTIGVMSVTOQYQP-VQCLRJIVSA-N 2 0 307.438 0.197 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150596040 769134624 /nfs/dbraw/zinc/13/46/24/769134624.db2.gz HBTFNDMABVGLPC-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(CCOC)(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001151175038 769283191 /nfs/dbraw/zinc/28/31/91/769283191.db2.gz VBVVUFPZXRATTG-OAHLLOKOSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001154381754 770162436 /nfs/dbraw/zinc/16/24/36/770162436.db2.gz STNJJDDXMMWNFN-CTMQZQKCSA-N 2 0 319.449 0.700 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001178985439 770922711 /nfs/dbraw/zinc/92/27/11/770922711.db2.gz JOHHGKAPTHHWJZ-ZQDZILKHSA-N 2 0 324.469 0.596 20 30 DCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001179799199 771016665 /nfs/dbraw/zinc/01/66/65/771016665.db2.gz NBOOROLEFCDTHS-HOCLYGCPSA-N 2 0 307.438 0.700 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179924680 771034781 /nfs/dbraw/zinc/03/47/81/771034781.db2.gz DWRPFGVPESTMNN-JYJNAYRXSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001179983353 771043715 /nfs/dbraw/zinc/04/37/15/771043715.db2.gz XOSADTORMJNILF-KKUMJFAQSA-N 2 0 324.469 0.598 20 30 DCEDRP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@@H]([NH2+]CC#CCOC)C1 ZINC001182965042 771583076 /nfs/dbraw/zinc/58/30/76/771583076.db2.gz RZBQSQQITGANHU-HUUCEWRRSA-N 2 0 313.417 0.507 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001158073071 771721455 /nfs/dbraw/zinc/72/14/55/771721455.db2.gz HBTGSFATIILMGT-UHFFFAOYSA-N 2 0 324.469 0.649 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001158073561 771722127 /nfs/dbraw/zinc/72/21/27/771722127.db2.gz PTIALQBRHDIFSP-UHFFFAOYSA-N 2 0 309.454 0.997 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001159356176 771900684 /nfs/dbraw/zinc/90/06/84/771900684.db2.gz UQYZOFKZFIDNFD-LSDHHAIUSA-N 2 0 324.469 0.647 20 30 DCEDRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC#CCOC)C1)[NH+](CC)CC ZINC001185610123 771935355 /nfs/dbraw/zinc/93/53/55/771935355.db2.gz ROVJIWSSHRZIGG-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC12CCOCC2 ZINC001186552716 772060037 /nfs/dbraw/zinc/06/00/37/772060037.db2.gz KUSOCBKSDOLKJR-HZPDHXFCSA-N 2 0 321.465 0.969 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001160862273 772127065 /nfs/dbraw/zinc/12/70/65/772127065.db2.gz KRVZFMRQDDGAGD-GJZGRUSLSA-N 2 0 322.453 0.401 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001160870522 772129528 /nfs/dbraw/zinc/12/95/28/772129528.db2.gz YQMREYXPVGYBGS-HOTGVXAUSA-N 2 0 307.438 0.749 20 30 DCEDRP COCC#CC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001161878863 772293983 /nfs/dbraw/zinc/29/39/83/772293983.db2.gz DAWBEXLZRGXUTC-UHFFFAOYSA-N 2 0 319.449 0.870 20 30 DCEDRP COCC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001163821871 772578352 /nfs/dbraw/zinc/57/83/52/772578352.db2.gz RCOYYWCADVLVKY-OAHLLOKOSA-N 2 0 307.438 0.607 20 30 DCEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001164596790 772686892 /nfs/dbraw/zinc/68/68/92/772686892.db2.gz RXDDUMCMEQDGTK-HOTGVXAUSA-N 2 0 319.449 0.749 20 30 DCEDRP C#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001166249042 772795962 /nfs/dbraw/zinc/79/59/62/772795962.db2.gz BARAJOWAHVDTJP-SWKXRBFHSA-N 2 0 317.433 0.359 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C[N@H+]2CC[C@H](C)C2)C1=O ZINC001166677125 772838215 /nfs/dbraw/zinc/83/82/15/772838215.db2.gz FVXYCLKVEVXFLX-LSDHHAIUSA-N 2 0 322.453 0.211 20 30 DCEDRP COCC#CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001205526100 772998126 /nfs/dbraw/zinc/99/81/26/772998126.db2.gz DDOXOYTZGQCGER-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001206794522 773107684 /nfs/dbraw/zinc/10/76/84/773107684.db2.gz NZWMQEFNMDJZTE-UHFFFAOYSA-N 2 0 324.469 0.459 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+]CC#CCOC)CC1 ZINC001206890417 773122114 /nfs/dbraw/zinc/12/21/14/773122114.db2.gz QOMOXQYQYNPUDO-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209304214 773587495 /nfs/dbraw/zinc/58/74/95/773587495.db2.gz OYTMVABFGVEQHV-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209408658 773603217 /nfs/dbraw/zinc/60/32/17/773603217.db2.gz VDUAQTCSNHONNH-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001197001323 773679384 /nfs/dbraw/zinc/67/93/84/773679384.db2.gz ZONVNKCVYYOIDU-HZPDHXFCSA-N 2 0 309.454 0.683 20 30 DCEDRP C=CCOCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001197158925 773707391 /nfs/dbraw/zinc/70/73/91/773707391.db2.gz YQGMWGFMJMACON-HZPDHXFCSA-N 2 0 309.454 0.921 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2ocnc2C)CC1 ZINC001152331085 773734854 /nfs/dbraw/zinc/73/48/54/773734854.db2.gz ZQLGUXSAKZOXSX-UHFFFAOYSA-N 2 0 304.394 0.534 20 30 DCEDRP C#CCN1CCCN(C(=O)CCCCN2CCOCC2)CC1 ZINC001197447689 773742884 /nfs/dbraw/zinc/74/28/84/773742884.db2.gz ISZQIMGSLVFPKJ-UHFFFAOYSA-N 2 0 307.438 0.656 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCOCC)C2)CC1 ZINC001216843139 774142196 /nfs/dbraw/zinc/14/21/96/774142196.db2.gz XRTQYSVLLIEMJH-NVXWUHKLSA-N 2 0 321.465 0.805 20 30 DCEDRP C[C@@]1(C(=O)Nc2sc3c(c2C#N)CC[NH2+]C3)CC[NH2+]C[C@H]1O ZINC001218553119 774246318 /nfs/dbraw/zinc/24/63/18/774246318.db2.gz NIUQZNOSLDEKJU-IUODEOHRSA-N 2 0 320.418 0.564 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCO1 ZINC001200479217 774360634 /nfs/dbraw/zinc/36/06/34/774360634.db2.gz OOHHRFJNTSYSCY-HOTGVXAUSA-N 2 0 307.438 0.700 20 30 DCEDRP CC#CC[NH2+]C1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001200628246 774379222 /nfs/dbraw/zinc/37/92/22/774379222.db2.gz IEXKVUHWTYONLD-UHFFFAOYSA-N 2 0 317.437 0.662 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001201149636 774455070 /nfs/dbraw/zinc/45/50/70/774455070.db2.gz DSRDNEMGIMDZTF-INIZCTEOSA-N 2 0 324.469 0.455 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCO1 ZINC001201246299 774470952 /nfs/dbraw/zinc/47/09/52/774470952.db2.gz RCRPGYOPZOXDCW-YESZJQIVSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)CCCO1 ZINC001201259632 774479038 /nfs/dbraw/zinc/47/90/38/774479038.db2.gz CHRFLIMXRPZRFU-OAHLLOKOSA-N 2 0 319.405 0.795 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CCCO1 ZINC001201405074 774502036 /nfs/dbraw/zinc/50/20/36/774502036.db2.gz ZUYVKXQKCXOLOJ-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001219614016 774557748 /nfs/dbraw/zinc/55/77/48/774557748.db2.gz YQPGGXPGVLFEOP-PMPSAXMXSA-N 2 0 309.454 0.987 20 30 DCEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)NC[C@]2(F)CCC[NH2+]C2)c1 ZINC001219768903 774601885 /nfs/dbraw/zinc/60/18/85/774601885.db2.gz QLLLXZSNBPOONN-HOCLYGCPSA-N 2 0 304.369 0.636 20 30 DCEDRP C=C(C)C(=O)NCCCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220043146 774678707 /nfs/dbraw/zinc/67/87/07/774678707.db2.gz GXPVFXUHCRPVEB-ZDUSSCGKSA-N 2 0 308.426 0.059 20 30 DCEDRP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230416 774740804 /nfs/dbraw/zinc/74/08/04/774740804.db2.gz DNVNITWOZINJIE-ZNMIVQPWSA-N 2 0 309.454 0.844 20 30 DCEDRP C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(=O)OCC ZINC001220570880 774847397 /nfs/dbraw/zinc/84/73/97/774847397.db2.gz CDZPQCYNWSNIQB-IIYDPXPESA-N 2 0 321.421 0.485 20 30 DCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001114466050 774885047 /nfs/dbraw/zinc/88/50/47/774885047.db2.gz MSRYQIUXZIPEJS-ZSHCYNCHSA-N 2 0 319.449 0.415 20 30 DCEDRP C=CCCCCC[C@H]([NH3+])C(=O)NC1=C(C(=O)OCC)C[NH2+]C1 ZINC001220827567 774926776 /nfs/dbraw/zinc/92/67/76/774926776.db2.gz SMTFNPGKDZDMKV-ZDUSSCGKSA-N 2 0 309.410 0.987 20 30 DCEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)NCCO[C@@H]2CC[NH2+]C2)cc1 ZINC001220937359 774957673 /nfs/dbraw/zinc/95/76/73/774957673.db2.gz PVGDLRUCWBDAKN-HUUCEWRRSA-N 2 0 302.378 0.443 20 30 DCEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(CC)CCO1 ZINC001115271345 775075896 /nfs/dbraw/zinc/07/58/96/775075896.db2.gz GVPSVAFOLHDTOB-XUWVNRHRSA-N 2 0 307.438 0.720 20 30 DCEDRP COCC#CC[NH+]1CCC(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001223494876 775495390 /nfs/dbraw/zinc/49/53/90/775495390.db2.gz DTOPAJSIBNUPTJ-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114745526 776093056 /nfs/dbraw/zinc/09/30/56/776093056.db2.gz BIXFOLLPXJEMOB-FICVDOATSA-N 2 0 305.422 0.024 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001230268061 776273323 /nfs/dbraw/zinc/27/33/23/776273323.db2.gz ZMEOUWPFBQWLPD-AWEZNQCLSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230374119 776288771 /nfs/dbraw/zinc/28/87/71/776288771.db2.gz JPZPSPJKKKHJLE-AWEZNQCLSA-N 2 0 324.469 0.598 20 30 DCEDRP C#CCC[NH+]1CCC2(CO[C@H](CNC(=O)CC[NH+](C)C)C2)CC1 ZINC001278101983 945138622 /nfs/dbraw/zinc/13/86/22/945138622.db2.gz MLFLHQQWLGMUPT-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317655274 945146967 /nfs/dbraw/zinc/14/69/67/945146967.db2.gz PAEAVNQSQSRHAB-UONOGXRCSA-N 2 0 310.442 0.067 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCN(C)C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001317823348 945199252 /nfs/dbraw/zinc/19/92/52/945199252.db2.gz UVRHDUDSQKHEIQ-INIZCTEOSA-N 2 0 310.486 0.979 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)Cc1ncc[nH]1)C1CCCC1 ZINC001278282982 945207711 /nfs/dbraw/zinc/20/77/11/945207711.db2.gz RIMZBHCLYGIQMA-OAHLLOKOSA-N 2 0 318.421 0.867 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CC#C)C1 ZINC001266459235 939124573 /nfs/dbraw/zinc/12/45/73/939124573.db2.gz MEXGZALJROFVBI-SJORKVTESA-N 2 0 301.434 0.888 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001266879732 939264314 /nfs/dbraw/zinc/26/43/14/939264314.db2.gz XFLARRNFHMPRGF-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001267055674 939325461 /nfs/dbraw/zinc/32/54/61/939325461.db2.gz KSPAJCHGUUQDFZ-HNNXBMFYSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)C[C@H]2CCCOC2)CC1 ZINC001480950010 939469057 /nfs/dbraw/zinc/46/90/57/939469057.db2.gz CLRLIMHGLZTLNH-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001279738893 939615388 /nfs/dbraw/zinc/61/53/88/939615388.db2.gz YPZPSBFEWPLPNY-CVEARBPZSA-N 2 0 307.438 0.437 20 30 DCEDRP CC[C@H](C(=O)NCC[C@H]1CC[N@H+](CC#CCOC)C1)[NH+](C)C ZINC001481440429 939792612 /nfs/dbraw/zinc/79/26/12/939792612.db2.gz ZJJZYHHYXIHEJN-JKSUJKDBSA-N 2 0 309.454 0.805 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC#CCOC)[C@@H](C)C1 ZINC001268141677 939957461 /nfs/dbraw/zinc/95/74/61/939957461.db2.gz MPXLVNPLRHBJAT-HOTGVXAUSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001268307536 940046555 /nfs/dbraw/zinc/04/65/55/940046555.db2.gz HGGNUZSSEBZNGC-JKSUJKDBSA-N 2 0 307.438 0.483 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001268317446 940055391 /nfs/dbraw/zinc/05/53/91/940055391.db2.gz XTFKTGGDLPQYIO-CQSZACIVSA-N 2 0 300.362 0.346 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CC[C@H](C)F)CC1 ZINC001268335815 940067449 /nfs/dbraw/zinc/06/74/49/940067449.db2.gz XHRPHJWZFBLVFE-ZFWWWQNUSA-N 2 0 313.417 0.146 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268697475 940333961 /nfs/dbraw/zinc/33/39/61/940333961.db2.gz DDDAKZIWBLEFEL-ZDUSSCGKSA-N 2 0 310.442 0.257 20 30 DCEDRP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001284518449 940714304 /nfs/dbraw/zinc/71/43/04/940714304.db2.gz CFCOAVYZDOVNBQ-JKSUJKDBSA-N 2 0 309.454 0.491 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001270497061 940911053 /nfs/dbraw/zinc/91/10/53/940911053.db2.gz SSOAQAJVZCUQDW-KKUMJFAQSA-N 2 0 324.469 0.361 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCOC)C1 ZINC001270737128 940978237 /nfs/dbraw/zinc/97/82/37/940978237.db2.gz GKRPTAQBAVDTJU-RDJZCZTQSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001270925212 941225657 /nfs/dbraw/zinc/22/56/57/941225657.db2.gz AVRIVQLVBKZTLT-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001482476357 941307616 /nfs/dbraw/zinc/30/76/16/941307616.db2.gz RYUXDBKDXLJODM-HUUCEWRRSA-N 2 0 324.469 0.457 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001271427463 941373434 /nfs/dbraw/zinc/37/34/34/941373434.db2.gz QMGOXVWZNBFQRS-WBVHZDCISA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001271711766 941427397 /nfs/dbraw/zinc/42/73/97/941427397.db2.gz LXWGOASCYFEAHZ-JKSUJKDBSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CC[NH2+][C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)C(C)C ZINC001271836855 941462423 /nfs/dbraw/zinc/46/24/23/941462423.db2.gz FYOVFARFJKWOFR-HNNXBMFYSA-N 2 0 305.426 0.422 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001271884557 941472757 /nfs/dbraw/zinc/47/27/57/941472757.db2.gz KGTIMDIKOLRKOZ-CVEARBPZSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001482564948 941506996 /nfs/dbraw/zinc/50/69/96/941506996.db2.gz IIFAPSCRZVRCON-HZPDHXFCSA-N 2 0 309.454 0.708 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001482675539 941619327 /nfs/dbraw/zinc/61/93/27/941619327.db2.gz DPWVGKNQNFZRJU-CABCVRRESA-N 2 0 317.437 0.566 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001482761592 941659642 /nfs/dbraw/zinc/65/96/42/941659642.db2.gz JJCNXCVBMCFLKI-DLBZAZTESA-N 2 0 321.465 0.874 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2cnn(C)c2)CC1 ZINC001483198742 941933230 /nfs/dbraw/zinc/93/32/30/941933230.db2.gz YHBCNHVSNIHREL-CQSZACIVSA-N 2 0 317.437 0.360 20 30 DCEDRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001272582918 942848686 /nfs/dbraw/zinc/84/86/86/942848686.db2.gz DCKYJNTWNGBLCJ-KRWDZBQOSA-N 2 0 317.433 0.445 20 30 DCEDRP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001272617571 942869744 /nfs/dbraw/zinc/86/97/44/942869744.db2.gz XIGOGTPUZBSNBU-IRXDYDNUSA-N 2 0 321.465 0.806 20 30 DCEDRP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001484225372 943220696 /nfs/dbraw/zinc/22/06/96/943220696.db2.gz XIRQMCJUQPZDFL-MRXNPFEDSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CC[NH2+]C1(C)CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001484916642 943620930 /nfs/dbraw/zinc/62/09/30/943620930.db2.gz YGYITHRUKKIXIS-UHFFFAOYSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001484954142 943636252 /nfs/dbraw/zinc/63/62/52/943636252.db2.gz GVZHZXPLVYUDTK-CQSZACIVSA-N 2 0 313.417 0.243 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001277087907 944657310 /nfs/dbraw/zinc/65/73/10/944657310.db2.gz SVEMMDBYSDQKEY-APIJFGDWSA-N 2 0 322.453 0.113 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@@H](C)CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001317266610 944888756 /nfs/dbraw/zinc/88/87/56/944888756.db2.gz SQYDFAJSVAOYJY-DZGCQCFKSA-N 2 0 322.453 0.209 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001317300926 944909946 /nfs/dbraw/zinc/90/99/46/944909946.db2.gz LBXJTIROFOBDMI-LSDHHAIUSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001317525233 945022412 /nfs/dbraw/zinc/02/24/12/945022412.db2.gz FMDGQYRAGKFTGC-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCN[C@H](C#N)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246683857 945459943 /nfs/dbraw/zinc/45/99/43/945459943.db2.gz UXYODPDRXYKMTN-JKQORVJESA-N 2 0 320.437 0.495 20 30 DCEDRP C[C@@H](Cc1ccc(C#N)cc1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246822008 945499043 /nfs/dbraw/zinc/49/90/43/945499043.db2.gz QFYJFORLRVXDSD-INIZCTEOSA-N 2 0 315.465 0.574 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001278599794 945675923 /nfs/dbraw/zinc/67/59/23/945675923.db2.gz BSKYCJIOAMTPLM-CVEARBPZSA-N 2 0 307.438 0.607 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001278652912 945873721 /nfs/dbraw/zinc/87/37/21/945873721.db2.gz GRXJJZHZJNDDKK-SJLPKXTDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001273261124 946336305 /nfs/dbraw/zinc/33/63/05/946336305.db2.gz PTQXTRUAVIWCQH-HZPDHXFCSA-N 2 0 305.422 0.169 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001273298023 946446406 /nfs/dbraw/zinc/44/64/06/946446406.db2.gz HDJVPRADKTXJFO-KBPBESRZSA-N 2 0 310.442 0.209 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001323111631 946936980 /nfs/dbraw/zinc/93/69/80/946936980.db2.gz COKSCGJPQJIKQH-KRWDZBQOSA-N 2 0 321.465 0.997 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001323530720 947118443 /nfs/dbraw/zinc/11/84/43/947118443.db2.gz PTEKVSTXJQEURY-CYBMUJFWSA-N 2 0 322.453 0.257 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001324096728 947313537 /nfs/dbraw/zinc/31/35/37/947313537.db2.gz DKXDVLZGDUKHFE-JKSUJKDBSA-N 2 0 309.454 0.946 20 30 DCEDRP CC#CC[NH+]1CCC(C)(NC(=O)CCN2CCOCC2)CC1 ZINC001324339758 947392108 /nfs/dbraw/zinc/39/21/08/947392108.db2.gz MPUDLPCOTGDKBC-UHFFFAOYSA-N 2 0 307.438 0.703 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001324456274 947431179 /nfs/dbraw/zinc/43/11/79/947431179.db2.gz UCZKJDBPDTZWJM-IAGOWNOFSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001327173496 948412457 /nfs/dbraw/zinc/41/24/57/948412457.db2.gz RQBFMNZFKMMGGH-MRXNPFEDSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001327564330 948552659 /nfs/dbraw/zinc/55/26/59/948552659.db2.gz QKEDNFSVSGHLAG-BFYDXBDKSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001327603292 948566887 /nfs/dbraw/zinc/56/68/87/948566887.db2.gz LXRRIFYWDRQUTJ-DOTOQJQBSA-N 2 0 309.454 0.539 20 30 DCEDRP C=CCC[NH2+]CC1(O)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001328197964 948740597 /nfs/dbraw/zinc/74/05/97/948740597.db2.gz GHISRCVHOPLUOM-OAHLLOKOSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001263820617 948766510 /nfs/dbraw/zinc/76/65/10/948766510.db2.gz CQVAVQARWJFJLG-HZPDHXFCSA-N 2 0 307.438 0.511 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001328284086 948805051 /nfs/dbraw/zinc/80/50/51/948805051.db2.gz NYLUJCNSDCYILK-GJZGRUSLSA-N 2 0 324.469 0.598 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1OCC ZINC001263971941 948819664 /nfs/dbraw/zinc/81/96/64/948819664.db2.gz KOPUBHQTSLRUEI-OWCLPIDISA-N 2 0 309.454 0.803 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1OCC ZINC001263966422 948820087 /nfs/dbraw/zinc/82/00/87/948820087.db2.gz IBNAMKYEHIFMBD-BRWVUGGUSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001264078921 948866363 /nfs/dbraw/zinc/86/63/63/948866363.db2.gz UKMBIAVURWLWMJ-CVEARBPZSA-N 2 0 309.454 0.635 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CC#CC)C2)CC1 ZINC001488880208 949345631 /nfs/dbraw/zinc/34/56/31/949345631.db2.gz OTFDLFSMPLSFTA-JCNLHEQBSA-N 2 0 301.434 0.839 20 30 DCEDRP CC#CCN1CC[NH+](CCCNC(=O)CCC[NH+](C)C)CC1 ZINC001265249592 949496499 /nfs/dbraw/zinc/49/64/99/949496499.db2.gz OYPSHJGMGRGUNB-UHFFFAOYSA-N 2 0 308.470 0.475 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001265265068 949516744 /nfs/dbraw/zinc/51/67/44/949516744.db2.gz OIWWVMVPUPTKGW-INIZCTEOSA-N 2 0 308.470 0.330 20 30 DCEDRP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001489160896 949569368 /nfs/dbraw/zinc/56/93/68/949569368.db2.gz PICBRRYIBAWPKG-IRXDYDNUSA-N 2 0 321.465 0.778 20 30 DCEDRP C#CCC[NH+]1CCN(CCCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001490475001 950715359 /nfs/dbraw/zinc/71/53/59/950715359.db2.gz KBNZDVVOLQOVII-MRXNPFEDSA-N 2 0 308.470 0.474 20 30 DCEDRP C=CC[NH+]1CCN(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001490517018 950843716 /nfs/dbraw/zinc/84/37/16/950843716.db2.gz VRUGXBDXIUVQLU-HZPDHXFCSA-N 2 0 308.470 0.779 20 30 DCEDRP C=CC[NH+]1CCN(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001490517016 950846125 /nfs/dbraw/zinc/84/61/25/950846125.db2.gz VRUGXBDXIUVQLU-HOTGVXAUSA-N 2 0 308.470 0.779 20 30 DCEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001331786306 951317893 /nfs/dbraw/zinc/31/78/93/951317893.db2.gz BNUWKGPYIAYHPS-CJNGLKHVSA-N 2 0 313.417 0.289 20 30 DCEDRP C=C(Cl)C[NH2+]CCOCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001333267296 951979345 /nfs/dbraw/zinc/97/93/45/951979345.db2.gz KDNLGWYKAYOXSL-UHFFFAOYSA-N 2 0 315.845 0.899 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)[C@@H](CC)C(N)=O)CC1 ZINC001275729040 952411328 /nfs/dbraw/zinc/41/13/28/952411328.db2.gz JKPOVHUIZQRCEX-ZFWWWQNUSA-N 2 0 322.453 0.032 20 30 DCEDRP C[NH+]1CCN(CCC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC001336729154 952758374 /nfs/dbraw/zinc/75/83/74/952758374.db2.gz ZJUULCICRNQXGH-INIZCTEOSA-N 2 0 324.469 0.285 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001283621486 954490003 /nfs/dbraw/zinc/49/00/03/954490003.db2.gz MDMQTUPJQWELMZ-KBPBESRZSA-N 2 0 322.453 0.045 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@H]1[NH+]1CCC(O)CC1 ZINC001348981285 954554118 /nfs/dbraw/zinc/55/41/18/954554118.db2.gz WYLPFHZUKSKWMK-JKSUJKDBSA-N 2 0 309.454 0.988 20 30 DCEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001283763267 954588552 /nfs/dbraw/zinc/58/85/52/954588552.db2.gz HDRBTUSJUXFWTD-ZBFHGGJFSA-N 2 0 307.438 0.483 20 30 DCEDRP N#CCCCC[C@H]([NH3+])C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001350405248 955085514 /nfs/dbraw/zinc/08/55/14/955085514.db2.gz MQKKTLBKWPRFHE-GJZGRUSLSA-N 2 0 308.426 0.767 20 30 DCEDRP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CN(CC)CCO1 ZINC001284520114 955153373 /nfs/dbraw/zinc/15/33/73/955153373.db2.gz OKWFWHYMURSCTL-CABCVRRESA-N 2 0 313.442 0.034 20 30 DCEDRP C#CC[NH2+]CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1 ZINC001354273579 956333411 /nfs/dbraw/zinc/33/34/11/956333411.db2.gz PBFHQYLASJAPMC-ZFWWWQNUSA-N 2 0 319.380 0.619 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]C[C@H]2CCCCO2)CC1 ZINC001491682244 959042422 /nfs/dbraw/zinc/04/24/22/959042422.db2.gz JHIPIUZZYZLDPE-DOTOQJQBSA-N 2 0 321.465 0.995 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001491857665 959312299 /nfs/dbraw/zinc/31/22/99/959312299.db2.gz XGVIRJNUONFNSQ-HOTGVXAUSA-N 2 0 307.438 0.416 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001492077559 959556396 /nfs/dbraw/zinc/55/63/96/959556396.db2.gz GDHZHTHTZHUGRD-UONOGXRCSA-N 2 0 324.469 0.503 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](CC)CCO)C2)CC1 ZINC001316746312 960361369 /nfs/dbraw/zinc/36/13/69/960361369.db2.gz AKZRVKCWGZAEPR-QGZVFWFLSA-N 2 0 321.465 0.637 20 30 DCEDRP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001316749198 960361477 /nfs/dbraw/zinc/36/14/77/960361477.db2.gz SQFHBXKDVUHYEL-HZPDHXFCSA-N 2 0 307.438 0.247 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001369487827 965065345 /nfs/dbraw/zinc/06/53/45/965065345.db2.gz SIWOOLZFFCZOPZ-LBPRGKRZSA-N 2 0 303.834 0.490 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001502869398 1016110857 /nfs/dbraw/zinc/11/08/57/1016110857.db2.gz ODWXYBBORQVLRO-HNNXBMFYSA-N 2 0 307.438 0.436 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001503003910 1016145721 /nfs/dbraw/zinc/14/57/21/1016145721.db2.gz UFBXVABOARCHOU-HUUCEWRRSA-N 2 0 307.438 0.700 20 30 DCEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001419423026 1001039630 /nfs/dbraw/zinc/03/96/30/1001039630.db2.gz LTUDWMNPIQVRIB-UBHSHLNASA-N 2 0 315.845 0.944 20 30 DCEDRP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001507727949 1016556249 /nfs/dbraw/zinc/55/62/49/1016556249.db2.gz LEKBOJLCBYZUDZ-HZPDHXFCSA-N 2 0 309.454 0.635 20 30 DCEDRP C=C(Cl)CN[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001403665293 1002304910 /nfs/dbraw/zinc/30/49/10/1002304910.db2.gz BYFJYXFLLLXLQR-QWHCGFSZSA-N 2 0 303.834 0.680 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001508136138 1016667780 /nfs/dbraw/zinc/66/77/80/1016667780.db2.gz UKTQLWQJEZRPIB-HSBZDZAISA-N 2 0 310.442 0.208 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001438987823 1006321477 /nfs/dbraw/zinc/32/14/77/1006321477.db2.gz ARPIMSSUHHNECW-CHWSQXEVSA-N 2 0 301.818 0.147 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001422393861 1010011930 /nfs/dbraw/zinc/01/19/30/1010011930.db2.gz MWLZQEUSJMOAKN-CQSZACIVSA-N 2 0 317.861 0.926 20 30 DCEDRP CSC1(CNC(=O)NCC#CC[NH+](C)C)CC[NH+](C)CC1 ZINC001564863256 1012533640 /nfs/dbraw/zinc/53/36/40/1012533640.db2.gz VCOLWWNVOVIGLE-UHFFFAOYSA-N 2 0 312.483 0.678 20 30 DCEDRP C#CC[NH2+]CC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC001521477489 1017384776 /nfs/dbraw/zinc/38/47/76/1017384776.db2.gz RPLFQDOYDWHJOZ-UHFFFAOYSA-N 2 0 303.406 0.856 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1OCC ZINC001479547255 1017580092 /nfs/dbraw/zinc/58/00/92/1017580092.db2.gz CFFKLGZCJLYVKG-HZPDHXFCSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001479931791 1017994595 /nfs/dbraw/zinc/99/45/95/1017994595.db2.gz MEXAINBZFBVTME-UHFFFAOYSA-N 2 0 306.454 0.228 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]C[C@H](C)OC)C2CC2)CC1 ZINC001480067229 1018178609 /nfs/dbraw/zinc/17/86/09/1018178609.db2.gz YHNINIIHATWYSX-YOEHRIQHSA-N 2 0 321.465 0.851 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001480080889 1018188706 /nfs/dbraw/zinc/18/87/06/1018188706.db2.gz ADEXMYOKNJGXCF-DLBZAZTESA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001500550936 1018491012 /nfs/dbraw/zinc/49/10/12/1018491012.db2.gz SFYUOQZRGKZNEC-AEFFLSMTSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001498044297 1018609821 /nfs/dbraw/zinc/60/98/21/1018609821.db2.gz SQNLLSUUFAHOLN-AWEZNQCLSA-N 2 0 324.469 0.647 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001480568373 1018666179 /nfs/dbraw/zinc/66/61/79/1018666179.db2.gz DINDRHGSTBVEDL-HNNXBMFYSA-N 2 0 321.465 0.853 20 30 DCEDRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC#CCOC)C1)[NH+](CC)CC ZINC001480620151 1018713934 /nfs/dbraw/zinc/71/39/34/1018713934.db2.gz ROVJIWSSHRZIGG-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH2+]C1CCN(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001501285800 1019010846 /nfs/dbraw/zinc/01/08/46/1019010846.db2.gz KCLVDBBGBFJDCM-HNNXBMFYSA-N 2 0 306.454 0.132 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001496206343 1019163026 /nfs/dbraw/zinc/16/30/26/1019163026.db2.gz IIJFEPNLEXXLNL-KGLIPLIRSA-N 2 0 322.453 0.209 20 30 DCEDRP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001501569030 1019298983 /nfs/dbraw/zinc/29/89/83/1019298983.db2.gz RNUYGEILXQXCIU-IXDOHACOSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001501647259 1019354746 /nfs/dbraw/zinc/35/47/46/1019354746.db2.gz FGYCYAOIQSVPOP-IRXDYDNUSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001662919023 1174252139 /nfs/dbraw/zinc/25/21/39/1174252139.db2.gz NRXARFCHMNRNDR-MGPQQGTHSA-N 2 0 310.442 0.113 20 30 DCEDRP CC(C)(C#N)C[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000598721352 397284513 /nfs/dbraw/zinc/28/45/13/397284513.db2.gz VMTONIIXBWFBQL-KGLIPLIRSA-N 2 0 310.442 0.464 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000343308247 415548829 /nfs/dbraw/zinc/54/88/29/415548829.db2.gz LHPWUDIVRSZOAZ-UHFFFAOYSA-N 2 0 322.453 0.354 20 30 DCEDRP C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N1CCN(c2ncccn2)CC1 ZINC000114067122 415721952 /nfs/dbraw/zinc/72/19/52/415721952.db2.gz LXUFEJSLGUURPY-CQSZACIVSA-N 2 0 317.441 0.268 20 30 DCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)C(C)C ZINC000419566547 416404149 /nfs/dbraw/zinc/40/41/49/416404149.db2.gz GQHVKUOMFCOIKO-LSDHHAIUSA-N 2 0 322.453 0.361 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000419723946 416406385 /nfs/dbraw/zinc/40/63/85/416406385.db2.gz GJJBGRZBYCGVOC-HNNXBMFYSA-N 2 0 322.453 0.387 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000419727856 416406933 /nfs/dbraw/zinc/40/69/33/416406933.db2.gz LZBKXEZGRGCVIC-HNNXBMFYSA-N 2 0 322.453 0.483 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330516 416418742 /nfs/dbraw/zinc/41/87/42/416418742.db2.gz PZMCXCFMZJOWDF-MJBXVCDLSA-N 2 0 308.426 0.708 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)CC1 ZINC000491516485 416603625 /nfs/dbraw/zinc/60/36/25/416603625.db2.gz UMCBPVGLEANIKW-DZGCQCFKSA-N 2 0 311.376 0.741 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](CCOC)CC1 ZINC000491662127 416612094 /nfs/dbraw/zinc/61/20/94/416612094.db2.gz LNTTXTIZLSOWQA-UHFFFAOYSA-N 2 0 310.442 0.352 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000491802324 416630254 /nfs/dbraw/zinc/63/02/54/416630254.db2.gz GCODBYOEJWMBNC-JKSUJKDBSA-N 2 0 321.465 0.493 20 30 DCEDRP C#CCNC(=O)CC[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000491810343 416632046 /nfs/dbraw/zinc/63/20/46/416632046.db2.gz ZGNWKFVLSDAQLD-QGZVFWFLSA-N 2 0 315.417 0.482 20 30 DCEDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(C#N)o1 ZINC000568861549 417184232 /nfs/dbraw/zinc/18/42/32/417184232.db2.gz NOSGWGWZSYNRKJ-UHFFFAOYSA-N 2 0 314.411 0.265 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000570028656 417304805 /nfs/dbraw/zinc/30/48/05/417304805.db2.gz FDMQSPLNMXNABO-HNNXBMFYSA-N 2 0 310.442 0.705 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652690954 417944875 /nfs/dbraw/zinc/94/48/75/417944875.db2.gz RGJZRQQFLMAUIE-UHFFFAOYSA-N 2 0 322.453 0.259 20 30 DCEDRP Cc1nc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1C#N ZINC000531357342 287775546 /nfs/dbraw/zinc/77/55/46/287775546.db2.gz YCQDFTNBVVWPQB-UHFFFAOYSA-N 2 0 303.410 0.827 20 30 DCEDRP C[NH+](C)[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000330249313 336129568 /nfs/dbraw/zinc/12/95/68/336129568.db2.gz ZTMHIRAUFPCYAE-OAGGEKHMSA-N 2 0 324.469 0.914 20 30 DCEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])C(C)C ZINC000565962477 341543782 /nfs/dbraw/zinc/54/37/82/341543782.db2.gz RALALGDMUAKEEZ-HNNXBMFYSA-N 2 0 324.469 0.608 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1 ZINC001447302971 1159612791 /nfs/dbraw/zinc/61/27/91/1159612791.db2.gz IVYJCEBXMLXVJW-ZDUSSCGKSA-N 2 0 303.834 0.898 20 30 DCEDRP C[NH+]=C(NCC1(CO)CCOCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262017265 526350621 /nfs/dbraw/zinc/35/06/21/526350621.db2.gz YBBNLFDCMCVLLU-UKRRQHHQSA-N 2 0 324.469 0.423 20 30 DCEDRP C[NH+]=C(NCC[NH+]1CCCC1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261678812 526357060 /nfs/dbraw/zinc/35/70/60/526357060.db2.gz CVTOFTNMFAFEQZ-HNNXBMFYSA-N 2 0 320.441 0.465 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](C)CCCC)CC1 ZINC000358123624 526417413 /nfs/dbraw/zinc/41/74/13/526417413.db2.gz GSKBYMORTCVXQF-UHFFFAOYSA-N 2 0 324.469 0.601 20 30 DCEDRP C=CCN1CC[C@H]([N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1=O ZINC000366851487 526511686 /nfs/dbraw/zinc/51/16/86/526511686.db2.gz NKHFALHADOBSDX-IRXDYDNUSA-N 2 0 320.481 0.874 20 30 DCEDRP CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000185531004 527386222 /nfs/dbraw/zinc/38/62/22/527386222.db2.gz KWNPULSNMXIVFW-CHWSQXEVSA-N 2 0 309.458 0.643 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cnc(N(C)C)n1C ZINC000267475318 529074590 /nfs/dbraw/zinc/07/45/90/529074590.db2.gz ZFMCDZLVSIJKIM-GFCCVEGCSA-N 2 0 307.446 0.375 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C(N)=O)c1 ZINC000264078888 529074852 /nfs/dbraw/zinc/07/48/52/529074852.db2.gz GTOPIFCCKIFQFD-CQSZACIVSA-N 2 0 303.410 0.674 20 30 DCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001673675678 1175221693 /nfs/dbraw/zinc/22/16/93/1175221693.db2.gz FRVMNVWPNDRPCA-DOTOQJQBSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)C[C@H](C)O)C2)CC1 ZINC001027693570 660626127 /nfs/dbraw/zinc/62/61/27/660626127.db2.gz GAGXEKWZSJXFSF-RDJZCZTQSA-N 2 0 321.465 0.635 20 30 DCEDRP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001028094276 661154068 /nfs/dbraw/zinc/15/40/68/661154068.db2.gz WJWKACRCKRMIDD-JKSUJKDBSA-N 2 0 307.438 0.700 20 30 DCEDRP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC000981784721 661216072 /nfs/dbraw/zinc/21/60/72/661216072.db2.gz PTAOWHVWRYWTHW-HOTGVXAUSA-N 2 0 319.449 0.960 20 30 DCEDRP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001023447345 657874552 /nfs/dbraw/zinc/87/45/52/657874552.db2.gz LMSLBWAANCUEGI-HUUCEWRRSA-N 2 0 300.406 0.907 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+]([C@@H](C)COC)C2)CC1 ZINC000970922633 658085085 /nfs/dbraw/zinc/08/50/85/658085085.db2.gz ZUIBSEJTMCEVCX-LSDHHAIUSA-N 2 0 321.465 0.803 20 30 DCEDRP CC#CCN1CCO[C@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000972638895 658140057 /nfs/dbraw/zinc/14/00/57/658140057.db2.gz OPSZIUYEHOQIKQ-SJLPKXTDSA-N 2 0 319.449 0.655 20 30 DCEDRP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000972674775 658226181 /nfs/dbraw/zinc/22/61/81/658226181.db2.gz SLGBUYCHFGFZGX-QGZVFWFLSA-N 2 0 307.438 0.962 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001021904674 658638324 /nfs/dbraw/zinc/63/83/24/658638324.db2.gz BPHLZGKCHJWRRH-LXTVHRRPSA-N 2 0 320.437 0.104 20 30 DCEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000970192191 658720363 /nfs/dbraw/zinc/72/03/63/658720363.db2.gz YDEWCYMDJWKCRL-KKVZTGDRSA-N 2 0 305.422 0.472 20 30 DCEDRP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCN3CCOCC3)C[C@@H]21 ZINC001026378174 659259856 /nfs/dbraw/zinc/25/98/56/659259856.db2.gz UMERZQJUFXWDPO-HRCADAONSA-N 2 0 307.438 0.721 20 30 DCEDRP C#CC[NH2+]C1CCC(NC(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC001026610727 659411456 /nfs/dbraw/zinc/41/14/56/659411456.db2.gz UFGSDHWOBQXIJI-UHFFFAOYSA-N 2 0 301.434 0.982 20 30 DCEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001027413956 659424910 /nfs/dbraw/zinc/42/49/10/659424910.db2.gz BQYDIOIFJTVLSH-OAHLLOKOSA-N 2 0 317.437 0.614 20 30 DCEDRP C=CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000046866 665729823 /nfs/dbraw/zinc/72/98/23/665729823.db2.gz WREPQAYWMVUXGF-UKRRQHHQSA-N 2 0 318.425 0.279 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841906368 662341601 /nfs/dbraw/zinc/34/16/01/662341601.db2.gz AOXQVQXIHQBZSP-UHFFFAOYSA-N 2 0 302.422 0.942 20 30 DCEDRP [NH2+]=C(NC[C@H]1C[NH+]2CCN1CC2)N[C@@H]1CCOc2ccccc21 ZINC000262798455 662582379 /nfs/dbraw/zinc/58/23/79/662582379.db2.gz PZOUZCPEZDQWGX-DZGCQCFKSA-N 2 0 315.421 0.414 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C ZINC000987164197 662650142 /nfs/dbraw/zinc/65/01/42/662650142.db2.gz AMPSZJUZVKSGSZ-HIFRSBDPSA-N 2 0 303.410 0.271 20 30 DCEDRP C#CCC[N@H+]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000989672840 662971115 /nfs/dbraw/zinc/97/11/15/662971115.db2.gz AQPLGSCXLPWRGP-MRXNPFEDSA-N 2 0 307.438 0.512 20 30 DCEDRP C#CCC[N@H+]1CCCN(C(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC000989735240 662974904 /nfs/dbraw/zinc/97/49/04/662974904.db2.gz VFNPBUBTBSHIAF-UHFFFAOYSA-N 2 0 301.434 0.889 20 30 DCEDRP C#CCC[NH+]1CCC(NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900797935 663281000 /nfs/dbraw/zinc/28/10/00/663281000.db2.gz JLOWMEKIWYBDLY-QGZVFWFLSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001000975432 665969415 /nfs/dbraw/zinc/96/94/15/665969415.db2.gz IFRROHVMYVCJOQ-PQUAAJSLSA-N 2 0 317.433 0.784 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000911236414 664008903 /nfs/dbraw/zinc/00/89/03/664008903.db2.gz QTACHEFJWZTUMB-CXAGYDPISA-N 2 0 320.437 0.093 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000911235829 664009036 /nfs/dbraw/zinc/00/90/36/664009036.db2.gz ITAVXYFFFDWSNQ-KBPBESRZSA-N 2 0 322.453 0.196 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC1 ZINC000917829101 665146948 /nfs/dbraw/zinc/14/69/48/665146948.db2.gz MNOGRFPJJYUMIZ-INIZCTEOSA-N 2 0 322.453 0.494 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000941553609 666019440 /nfs/dbraw/zinc/01/94/40/666019440.db2.gz PQGMDZSUTZOLJN-QGZVFWFLSA-N 2 0 322.497 0.977 20 30 DCEDRP C#CCN(C(=O)N[C@@H]1CCn2ccnc2C1)C1CC[NH+](C)CC1 ZINC000922076595 666246179 /nfs/dbraw/zinc/24/61/79/666246179.db2.gz INHKFJUCAHYESU-CQSZACIVSA-N 2 0 315.421 0.937 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000922630598 666498815 /nfs/dbraw/zinc/49/88/15/666498815.db2.gz QIEAVBPYAYZOEQ-UHFFFAOYSA-N 2 0 303.410 0.902 20 30 DCEDRP C#CC[NH2+]C1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000996713617 666871139 /nfs/dbraw/zinc/87/11/39/666871139.db2.gz CWOSCECXPFDGDH-UHFFFAOYSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CCOC)C2)CC1 ZINC001034538560 667064752 /nfs/dbraw/zinc/06/47/52/667064752.db2.gz PNVVVVRHOBVIQN-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCO)[C@H](C)C2)CC1 ZINC001036300596 667434899 /nfs/dbraw/zinc/43/48/99/667434899.db2.gz BSSOPMXSWYXHRX-ZBFHGGJFSA-N 2 0 307.438 0.151 20 30 DCEDRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884192990 667494669 /nfs/dbraw/zinc/49/46/69/667494669.db2.gz SQXNFMRFZWUOOP-GJEMEMOUSA-N 2 0 304.438 0.926 20 30 DCEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000923329519 667506123 /nfs/dbraw/zinc/50/61/23/667506123.db2.gz VHUJODLMEIJSDX-JYJNAYRXSA-N 2 0 309.454 0.894 20 30 DCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cnc3c(c1)C[NH2+]CC3)C2 ZINC000884243920 667508308 /nfs/dbraw/zinc/50/83/08/667508308.db2.gz SIFVUKGJXUHNOI-JZLYGMAVSA-N 2 0 311.389 0.805 20 30 DCEDRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884313868 667522132 /nfs/dbraw/zinc/52/21/32/667522132.db2.gz RICYMBXZRCZUNI-GWUWNPHMSA-N 2 0 304.438 0.924 20 30 DCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000867983552 667523669 /nfs/dbraw/zinc/52/36/69/667523669.db2.gz PRDNIOLZOIQVCL-VXGBXAGGSA-N 2 0 312.295 0.751 20 30 DCEDRP C#CCN1CCC[C@@H](NC(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000884373549 667533766 /nfs/dbraw/zinc/53/37/66/667533766.db2.gz PXNNTOXIFHYGIY-OAHLLOKOSA-N 2 0 308.426 0.106 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CC[NH2+]C13CCCC3)C2 ZINC000884376735 667534242 /nfs/dbraw/zinc/53/42/42/667534242.db2.gz PLEWCFBHJLUZTF-IQXANGCESA-N 2 0 302.422 0.917 20 30 DCEDRP CN1CCN(C(=O)C[N@H+](C)C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886309084 667754327 /nfs/dbraw/zinc/75/43/27/667754327.db2.gz SWQRLCLACZMYLX-CQSZACIVSA-N 2 0 308.426 0.137 20 30 DCEDRP C#CC[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000886353191 667759039 /nfs/dbraw/zinc/75/90/39/667759039.db2.gz DFAKUXFOKMPBQU-IAGOWNOFSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000889775207 667995900 /nfs/dbraw/zinc/99/59/00/667995900.db2.gz UNMIXIAMIYIFNA-IRXDYDNUSA-N 2 0 319.449 0.389 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000876737028 668499339 /nfs/dbraw/zinc/49/93/39/668499339.db2.gz OHEBRSSLDJQWCE-AWEZNQCLSA-N 2 0 316.877 0.846 20 30 DCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000876863462 668522691 /nfs/dbraw/zinc/52/26/91/668522691.db2.gz GDKAPZMFAZMGKA-STQMWFEESA-N 2 0 308.332 0.844 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000928649521 668611771 /nfs/dbraw/zinc/61/17/71/668611771.db2.gz OQRBMFGITHCRLV-UHFFFAOYSA-N 2 0 303.410 0.272 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000928648686 668611786 /nfs/dbraw/zinc/61/17/86/668611786.db2.gz QBGPMSYJKRJZGB-UHFFFAOYSA-N 2 0 305.422 0.311 20 30 DCEDRP C#CC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](CC#C)CC3)CC[C@H]21 ZINC001036902550 670270752 /nfs/dbraw/zinc/27/07/52/670270752.db2.gz MERPQXUMOIFURZ-ZWKOTPCHSA-N 2 0 313.445 0.888 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H](CC)[NH+](C)C)CCO2 ZINC000949191291 670284314 /nfs/dbraw/zinc/28/43/14/670284314.db2.gz HYRIWBFPNFAVDH-HNNXBMFYSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](CC#C)CC2)CC1 ZINC001006446047 670405257 /nfs/dbraw/zinc/40/52/57/670405257.db2.gz SJOWDORJJQGWJT-UHFFFAOYSA-N 2 0 301.434 0.888 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1CNC(NCCN1CCOCC1)=[NH+]C ZINC000849028001 670751445 /nfs/dbraw/zinc/75/14/45/670751445.db2.gz UVNJZYKZUYAZLY-HNNXBMFYSA-N 2 0 311.474 0.358 20 30 DCEDRP C[N@@H+]1CC[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)CC1(C)C ZINC000858136990 670974168 /nfs/dbraw/zinc/97/41/68/670974168.db2.gz BZMWRSXEYDFOOZ-XROPSADXSA-N 2 0 306.410 0.975 20 30 DCEDRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852883794 671184618 /nfs/dbraw/zinc/18/46/18/671184618.db2.gz NXWRNEJWEONNQP-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000303881350 685208356 /nfs/dbraw/zinc/20/83/56/685208356.db2.gz KVCLVIOTZNQSDE-HOTGVXAUSA-N 3 0 324.517 0.259 20 30 DCEDRP C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000958717105 687870812 /nfs/dbraw/zinc/87/08/12/687870812.db2.gz PFBHXVWDNCGBAN-SJORKVTESA-N 2 0 315.417 0.404 20 30 DCEDRP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COC1CC[NH+](C)CC1 ZINC001018111188 693044363 /nfs/dbraw/zinc/04/43/63/693044363.db2.gz AOBFIEPPKNEOHK-IYBDPMFKSA-N 2 0 319.449 0.796 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)C1=O ZINC001020028524 693654143 /nfs/dbraw/zinc/65/41/43/693654143.db2.gz BPHLZGKCHJWRRH-AJNGGQMLSA-N 2 0 320.437 0.104 20 30 DCEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760947 694661613 /nfs/dbraw/zinc/66/16/13/694661613.db2.gz WGYHBRCYBMZVQM-CVEARBPZSA-N 2 0 317.433 0.407 20 30 DCEDRP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073861508 694793594 /nfs/dbraw/zinc/79/35/94/694793594.db2.gz DNOCVEQVLPLVGT-OAHLLOKOSA-N 2 0 307.438 0.865 20 30 DCEDRP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001076987210 695118249 /nfs/dbraw/zinc/11/82/49/695118249.db2.gz GTICDSQTXFZQQF-OWCLPIDISA-N 2 0 309.454 0.987 20 30 DCEDRP C=C(C)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001570414474 1162508445 /nfs/dbraw/zinc/50/84/45/1162508445.db2.gz XZALDLHTRKFDNQ-MRXNPFEDSA-N 2 0 321.465 0.847 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#CCOC)[C@H](C)C1 ZINC001570446878 1162520144 /nfs/dbraw/zinc/52/01/44/1162520144.db2.gz ZTIZIKPMMKVNFY-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CC[NH2+][C@H](CO)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001571443903 1162759438 /nfs/dbraw/zinc/75/94/38/1162759438.db2.gz AOYSPLPUZBSXHK-INIZCTEOSA-N 2 0 307.438 0.198 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001571487616 1162779026 /nfs/dbraw/zinc/77/90/26/1162779026.db2.gz UUUJYYHNAHZWEY-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001571565854 1162812045 /nfs/dbraw/zinc/81/20/45/1162812045.db2.gz HGQZKWMFVDQJPD-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CCOC)C(C)C)CC1 ZINC001571642053 1162873190 /nfs/dbraw/zinc/87/31/90/1162873190.db2.gz DTVWMXSCUNZKHC-UHFFFAOYSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001691146245 1157595457 /nfs/dbraw/zinc/59/54/57/1157595457.db2.gz QJYYVCWOIAFNJP-HOCLYGCPSA-N 2 0 324.469 0.313 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1cnn(C)c1 ZINC001691283859 1157629823 /nfs/dbraw/zinc/62/98/23/1157629823.db2.gz RKGSKZYFVJEYRZ-JKSUJKDBSA-N 2 0 317.437 0.279 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001691352523 1157651040 /nfs/dbraw/zinc/65/10/40/1157651040.db2.gz ZNVGYCPJCWEXGS-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001691887343 1158915618 /nfs/dbraw/zinc/91/56/18/1158915618.db2.gz HLKOIHVSZPJMBB-BRWVUGGUSA-N 2 0 321.465 0.805 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001447277682 1159609425 /nfs/dbraw/zinc/60/94/25/1159609425.db2.gz HJXFUYHOBVREDK-ZDUSSCGKSA-N 2 0 303.834 0.898 20 30 DCEDRP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001565845511 1159910242 /nfs/dbraw/zinc/91/02/42/1159910242.db2.gz OEYVRGRWQBEJPW-IYBDPMFKSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCCOC)C1 ZINC001566872162 1160174099 /nfs/dbraw/zinc/17/40/99/1160174099.db2.gz SJKGUEMBFDXLRP-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH2+][C@H](C)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001567215198 1160275329 /nfs/dbraw/zinc/27/53/29/1160275329.db2.gz PVBGWYWREKWPBX-CQSZACIVSA-N 2 0 305.426 0.566 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001568205398 1160598906 /nfs/dbraw/zinc/59/89/06/1160598906.db2.gz MWHWOXFRKLSDAX-PBHICJAKSA-N 2 0 322.453 0.116 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001569432078 1161057905 /nfs/dbraw/zinc/05/79/05/1161057905.db2.gz MCICEHRJJHPYAG-INIZCTEOSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001569522861 1161086190 /nfs/dbraw/zinc/08/61/90/1161086190.db2.gz OXFKKOULIRTOEE-CABCVRRESA-N 2 0 324.469 0.600 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC#CCOC)C[C@@H]1C ZINC001569526748 1161087120 /nfs/dbraw/zinc/08/71/20/1161087120.db2.gz LVBWGWRNCXVBMO-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001569829339 1161279007 /nfs/dbraw/zinc/27/90/07/1161279007.db2.gz XHNPMTMHMQTMEO-CVEARBPZSA-N 2 0 309.454 0.803 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001570285836 1161543311 /nfs/dbraw/zinc/54/33/11/1161543311.db2.gz OFMRSYNDGQRKDY-WMZOPIPTSA-N 2 0 321.465 0.827 20 30 DCEDRP CCC1([NH+]2CCC2)CCN(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC001577230536 1164645495 /nfs/dbraw/zinc/64/54/95/1164645495.db2.gz OHEJUHXCSFWBCB-UONOGXRCSA-N 2 0 305.426 0.758 20 30 DCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1Cc3ccccc3C[NH2+]1)C2 ZINC001649976575 1173354709 /nfs/dbraw/zinc/35/47/09/1173354709.db2.gz IRHXDSRUVIXPJT-VIHIWDAPSA-N 2 0 324.428 0.956 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)CCO1 ZINC001673278517 1173922025 /nfs/dbraw/zinc/92/20/25/1173922025.db2.gz KCFWCTVCEIJYDO-LSDHHAIUSA-N 2 0 313.417 0.507 20 30 DCEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC#CCOC)C1 ZINC001662792114 1174242353 /nfs/dbraw/zinc/24/23/53/1174242353.db2.gz VIDJHLUQTYUMMN-JKSUJKDBSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001663628416 1174336073 /nfs/dbraw/zinc/33/60/73/1174336073.db2.gz AIWREKBNEBQSMG-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001663645458 1174337984 /nfs/dbraw/zinc/33/79/84/1174337984.db2.gz VHOVIGYCBCNYQV-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]CC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001668233989 1174770848 /nfs/dbraw/zinc/77/08/48/1174770848.db2.gz APNHTDYWWJVJPD-HNNXBMFYSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001669139436 1174899319 /nfs/dbraw/zinc/89/93/19/1174899319.db2.gz ONHUMHSOVLMKTD-ZRUQZJFASA-N 2 0 320.437 0.035 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC[C@H]2CCCO2)CC1 ZINC001669751031 1174947028 /nfs/dbraw/zinc/94/70/28/1174947028.db2.gz WCSJGDFZTUJIRR-DOTOQJQBSA-N 2 0 321.465 0.995 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001672663996 1175140478 /nfs/dbraw/zinc/14/04/78/1175140478.db2.gz DNAHNDZRNGFNTK-INIZCTEOSA-N 2 0 309.454 0.542 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001674324098 1175269800 /nfs/dbraw/zinc/26/98/00/1175269800.db2.gz ADBDCEAJZVZSSL-UHFFFAOYSA-N 2 0 309.454 0.541 20 30 DCEDRP C=C(C)C[NH+]1CCC(CO)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001674330258 1175271077 /nfs/dbraw/zinc/27/10/77/1175271077.db2.gz KPFXZPHSMURLBW-UHFFFAOYSA-N 2 0 307.438 0.601 20 30 DCEDRP C#CCNC(=O)C[N@@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001676063945 1175417928 /nfs/dbraw/zinc/41/79/28/1175417928.db2.gz PUISIIMQZJDICP-UHFFFAOYSA-N 2 0 322.453 0.000 20 30 DCEDRP C#CC[NH2+]CCCOCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001676183100 1175427149 /nfs/dbraw/zinc/42/71/49/1175427149.db2.gz GJEXTBSKQZAACN-HOTGVXAUSA-N 2 0 307.438 0.749 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]CC#CCOC)C1 ZINC001690614198 1177281838 /nfs/dbraw/zinc/28/18/38/1177281838.db2.gz FLSSDUNADCFEBQ-JKSUJKDBSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@H+](C)CCCO)C2)CC1 ZINC001691999331 1177399547 /nfs/dbraw/zinc/39/95/47/1177399547.db2.gz RZTBHNSZOCYONP-INIZCTEOSA-N 2 0 321.465 0.494 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001699669760 1178246493 /nfs/dbraw/zinc/24/64/93/1178246493.db2.gz KVYRGGVCGPEUAO-ZIAGYGMSSA-N 2 0 322.453 0.257 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+]CC#CCOC)C1 ZINC001699854524 1178319090 /nfs/dbraw/zinc/31/90/90/1178319090.db2.gz SPGNDJGKTSYTCD-KRWDZBQOSA-N 2 0 309.454 0.806 20 30 DCEDRP C=CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001700001143 1178419879 /nfs/dbraw/zinc/41/98/79/1178419879.db2.gz FXIHEBQQCVTJBX-UXLLHSPISA-N 2 0 309.454 0.846 20 30 DCEDRP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001700243701 1178551658 /nfs/dbraw/zinc/55/16/58/1178551658.db2.gz XKPOQAKHWRRJJX-DOTOQJQBSA-N 2 0 309.454 0.847 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001700297122 1178570025 /nfs/dbraw/zinc/57/00/25/1178570025.db2.gz XPEXCJHJAKDZMZ-UHFFFAOYSA-N 2 0 308.470 0.733 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001700301391 1178572107 /nfs/dbraw/zinc/57/21/07/1178572107.db2.gz MPLKPSHJQCDXGH-OAHLLOKOSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001700753036 1178731612 /nfs/dbraw/zinc/73/16/12/1178731612.db2.gz SIGSJDNTJOCSSU-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001700788782 1178745277 /nfs/dbraw/zinc/74/52/77/1178745277.db2.gz APGYBXFVFSPDFI-HUUCEWRRSA-N 2 0 307.438 0.341 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001700843127 1178775152 /nfs/dbraw/zinc/77/51/52/1178775152.db2.gz SWEVRRARRVRFIQ-HIFRSBDPSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001700939790 1178816464 /nfs/dbraw/zinc/81/64/64/1178816464.db2.gz URBHPCFLRDJGPQ-IRXDYDNUSA-N 2 0 321.465 0.826 20 30 DCEDRP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001707070161 1180410151 /nfs/dbraw/zinc/41/01/51/1180410151.db2.gz DGWPMQJTBGXUPF-FZNQNYSPSA-N 2 0 317.437 0.566 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001713074724 1180667516 /nfs/dbraw/zinc/66/75/16/1180667516.db2.gz GLIFVDOBLDHCLG-UHFFFAOYSA-N 2 0 308.470 0.781 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]C[C@@H](CC)OC)C2)CC1 ZINC001713151728 1180697719 /nfs/dbraw/zinc/69/77/19/1180697719.db2.gz FBPAHMCUJSBWAL-DLBZAZTESA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001713151693 1180698101 /nfs/dbraw/zinc/69/81/01/1180698101.db2.gz ATNXSLDNBRTEGO-HNNXBMFYSA-N 2 0 322.453 0.355 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001713667189 1181007629 /nfs/dbraw/zinc/00/76/29/1181007629.db2.gz BRPLOTSXZJEDQL-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCN1CC[NH+](CCCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001713801523 1181077466 /nfs/dbraw/zinc/07/74/66/1181077466.db2.gz ODNCZRRFQKJPAO-UHFFFAOYSA-N 2 0 308.470 0.638 20 30 DCEDRP C=CCC[NH+]1CCN(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001713809023 1181084095 /nfs/dbraw/zinc/08/40/95/1181084095.db2.gz KZINVPJAOPXXFU-MRXNPFEDSA-N 2 0 308.470 0.781 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CC#CCOC)CC[N@@H+]1C ZINC001714392022 1181347775 /nfs/dbraw/zinc/34/77/75/1181347775.db2.gz YZYKNYHFHJBMGE-OWCLPIDISA-N 2 0 309.454 0.708 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001715432945 1181812292 /nfs/dbraw/zinc/81/22/92/1181812292.db2.gz VQOOCUQMUSAPBY-LSDHHAIUSA-N 2 0 324.469 0.457 20 30 DCEDRP COCC#CC[NH2+]C/C=C/CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001715830545 1182036180 /nfs/dbraw/zinc/03/61/80/1182036180.db2.gz BDYKVWOJXAUUPL-NSCUHMNNSA-N 2 0 319.449 0.774 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001716092881 1182186507 /nfs/dbraw/zinc/18/65/07/1182186507.db2.gz FTKNWGXORPCAMN-OAHLLOKOSA-N 2 0 309.454 0.729 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001716112482 1182197490 /nfs/dbraw/zinc/19/74/90/1182197490.db2.gz NURVKTCJRDOHES-INIZCTEOSA-N 2 0 303.406 0.452 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)COC2CC[NH+](C)CC2)CCC1 ZINC001717160290 1182699504 /nfs/dbraw/zinc/69/95/04/1182699504.db2.gz NCMUUEVAUMMQGO-UHFFFAOYSA-N 2 0 307.438 0.749 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001717286407 1182766816 /nfs/dbraw/zinc/76/68/16/1182766816.db2.gz UGCRUGQVGGPMJR-KGLIPLIRSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CC[NH2+]CC1CC(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001717383977 1182814406 /nfs/dbraw/zinc/81/44/06/1182814406.db2.gz BJARCFADJBPZFV-UHFFFAOYSA-N 2 0 303.410 0.176 20 30 DCEDRP COCC#CC[NH2+]CC1CC(NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001717393036 1182818737 /nfs/dbraw/zinc/81/87/37/1182818737.db2.gz OSWVVQWZQVLDSZ-HTWSVDAQSA-N 2 0 319.449 0.607 20 30 DCEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001717615510 1182925552 /nfs/dbraw/zinc/92/55/52/1182925552.db2.gz LJMADLPILUWPRD-GJZGRUSLSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001717918384 1183059556 /nfs/dbraw/zinc/05/95/56/1183059556.db2.gz KQNHBZVYEIMGHP-HZPDHXFCSA-N 2 0 307.438 0.436 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001717921384 1183061915 /nfs/dbraw/zinc/06/19/15/1183061915.db2.gz NYLKFBAARTVWGG-HNNXBMFYSA-N 2 0 314.389 0.689 20 30 DCEDRP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001717939330 1183077044 /nfs/dbraw/zinc/07/70/44/1183077044.db2.gz FDMXJLSLJKEBNE-CVEARBPZSA-N 2 0 309.454 0.635 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C ZINC001717967688 1183091355 /nfs/dbraw/zinc/09/13/55/1183091355.db2.gz KLUPXFPGAJUTQL-KBPBESRZSA-N 2 0 324.469 0.197 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001724014041 1184369223 /nfs/dbraw/zinc/36/92/23/1184369223.db2.gz HWPVPGAOKFVHEA-AWEZNQCLSA-N 2 0 324.469 0.600 20 30 DCEDRP COCC#CC[N@H+]1C[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C1 ZINC001724625998 1184479850 /nfs/dbraw/zinc/47/98/50/1184479850.db2.gz ODGBAXBKENULCR-CALCHBBNSA-N 2 0 321.465 0.758 20 30 DCEDRP C=CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001724641940 1184493044 /nfs/dbraw/zinc/49/30/44/1184493044.db2.gz QGEDUCLDQWXZTE-YQQAZPJKSA-N 2 0 309.454 0.846 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001724973364 1184639308 /nfs/dbraw/zinc/63/93/08/1184639308.db2.gz XATMCXGAZSSMNH-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001724985108 1184644916 /nfs/dbraw/zinc/64/49/16/1184644916.db2.gz DPZQFKOZHUCJII-JKSUJKDBSA-N 2 0 321.465 0.683 20 30 DCEDRP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001725102363 1184684159 /nfs/dbraw/zinc/68/41/59/1184684159.db2.gz XJXWLGHJGHCABO-CABCVRRESA-N 2 0 309.454 0.851 20 30 DCEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001725529065 1184861620 /nfs/dbraw/zinc/86/16/20/1184861620.db2.gz BGJVXCVIICPXCJ-JKSUJKDBSA-N 2 0 321.465 0.731 20 30 DCEDRP COCC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001725593042 1184903211 /nfs/dbraw/zinc/90/32/11/1184903211.db2.gz WCPJYNLNGSKFFN-DLBZAZTESA-N 2 0 321.465 0.947 20 30 DCEDRP C[NH+]=C(NCC(=O)N1CCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262483634 1185168350 /nfs/dbraw/zinc/16/83/50/1185168350.db2.gz SBPFDFWMASYECI-OAHLLOKOSA-N 2 0 321.469 0.744 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001731727322 1185460343 /nfs/dbraw/zinc/46/03/43/1185460343.db2.gz HVVIVMYMHJMEPX-ZBFHGGJFSA-N 2 0 307.438 0.462 20 30 DCEDRP C=CCC[NH+]1CCN(CCN(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001732065300 1185656231 /nfs/dbraw/zinc/65/62/31/1185656231.db2.gz SBEDSCSMIYYIGX-UHFFFAOYSA-N 2 0 322.497 0.980 20 30 DCEDRP COCC#CC[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001732088368 1185665349 /nfs/dbraw/zinc/66/53/49/1185665349.db2.gz ULTXJYDADBEZMC-UHFFFAOYSA-N 2 0 309.454 0.758 20 30 DCEDRP C=CCCC[NH+]1CC(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001732139097 1185694303 /nfs/dbraw/zinc/69/43/03/1185694303.db2.gz SHOMOHUAGBYEAY-HNNXBMFYSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001732419357 1185810294 /nfs/dbraw/zinc/81/02/94/1185810294.db2.gz LRJLSOVWFUUKSI-LSDHHAIUSA-N 2 0 324.469 0.598 20 30 DCEDRP COCC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001732463444 1185827092 /nfs/dbraw/zinc/82/70/92/1185827092.db2.gz MIVYSMYKCDHRSW-HOTGVXAUSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001732493616 1185835351 /nfs/dbraw/zinc/83/53/51/1185835351.db2.gz DPWPHXGXLJOTPL-LSDHHAIUSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCO)C2CCCC2)CC1 ZINC001733386093 1186248807 /nfs/dbraw/zinc/24/88/07/1186248807.db2.gz BHTAZIUWQBVTQS-QGZVFWFLSA-N 2 0 321.465 0.589 20 30 DCEDRP C=C(C)CC[N@@H+]1CCC[C@@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001733594248 1186352001 /nfs/dbraw/zinc/35/20/01/1186352001.db2.gz WKATTWSWWDPNER-GOSISDBHSA-N 2 0 321.465 0.992 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CCOCC1 ZINC001733828892 1186465668 /nfs/dbraw/zinc/46/56/68/1186465668.db2.gz MOCSFAZYEWFQEB-OAHLLOKOSA-N 2 0 307.438 0.747 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001733860418 1186478549 /nfs/dbraw/zinc/47/85/49/1186478549.db2.gz WDIHTNONYREOAV-GJZGRUSLSA-N 2 0 305.422 0.169 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001733885190 1186485900 /nfs/dbraw/zinc/48/59/00/1186485900.db2.gz GSSUZNNJFQLZDP-INIZCTEOSA-N 2 0 321.465 0.827 20 30 DCEDRP C=C(C)CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001733888161 1186487515 /nfs/dbraw/zinc/48/75/15/1186487515.db2.gz CTRBYZLUKGRUGO-HNNXBMFYSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001734202218 1186578057 /nfs/dbraw/zinc/57/80/57/1186578057.db2.gz RJRDRUZMTYYDKK-INIZCTEOSA-N 2 0 319.449 0.703 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001734482081 1186663253 /nfs/dbraw/zinc/66/32/53/1186663253.db2.gz HWYFUWIAJQTMDJ-GDBMZVCRSA-N 2 0 317.437 0.566 20 30 DCEDRP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001734547443 1186687833 /nfs/dbraw/zinc/68/78/33/1186687833.db2.gz UASWPZSFCKVMTO-CVEARBPZSA-N 2 0 309.454 0.635 20 30 DCEDRP CC#CC[NH2+]CCOCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001734612798 1186703529 /nfs/dbraw/zinc/70/35/29/1186703529.db2.gz XBPJINTWPCLMFG-INIZCTEOSA-N 2 0 307.438 0.416 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001752775532 1188438365 /nfs/dbraw/zinc/43/83/65/1188438365.db2.gz NDQMKKYTPJQMJM-ZNMIVQPWSA-N 2 0 322.453 0.400 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001752997708 1188474411 /nfs/dbraw/zinc/47/44/11/1188474411.db2.gz XUYZPDHLTYCKEG-IRXDYDNUSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001753354669 1188571767 /nfs/dbraw/zinc/57/17/67/1188571767.db2.gz IQLSCFWTKXFHDL-CQSZACIVSA-N 2 0 310.442 0.021 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]CC#CCOC)CC1 ZINC001753644559 1188629222 /nfs/dbraw/zinc/62/92/22/1188629222.db2.gz IZAJBBOXCCXPKB-MRXNPFEDSA-N 2 0 319.449 0.323 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001754244659 1188797302 /nfs/dbraw/zinc/79/73/02/1188797302.db2.gz IUHGHSAYSLHQNO-ZIAGYGMSSA-N 2 0 324.469 0.197 20 30 DCEDRP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001754857293 1188951331 /nfs/dbraw/zinc/95/13/31/1188951331.db2.gz DHSZKDWKYOPMSN-XYJFISCASA-N 2 0 321.465 0.683 20 30 DCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001755087732 1189017832 /nfs/dbraw/zinc/01/78/32/1189017832.db2.gz HBPZBIHTXUUUFX-ZOBUZTSGSA-N 2 0 309.454 0.846 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001755473227 1189121487 /nfs/dbraw/zinc/12/14/87/1189121487.db2.gz JBWAMAOZEFTRLE-BZUAXINKSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127706545 751713076 /nfs/dbraw/zinc/71/30/76/751713076.db2.gz MNPBUFGEXNRYID-MELADBBJSA-N 2 0 310.442 0.113 20 30 DCEDRP C=CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@H]2C1 ZINC001083192573 746970318 /nfs/dbraw/zinc/97/03/18/746970318.db2.gz HGNZNJFFYIMZML-HRCADAONSA-N 2 0 307.438 0.816 20 30 DCEDRP CC#CC[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104908041 747978578 /nfs/dbraw/zinc/97/85/78/747978578.db2.gz GHZDKMZUAOAFDA-HZPDHXFCSA-N 2 0 309.454 0.662 20 30 DCEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001088335941 749380309 /nfs/dbraw/zinc/38/03/09/749380309.db2.gz QZOCCVGLEPUVGX-BZUAXINKSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+]CCO)CC2)CC1 ZINC001168320643 749915722 /nfs/dbraw/zinc/91/57/22/749915722.db2.gz ICWYCWXBFPODFQ-UHFFFAOYSA-N 2 0 307.438 0.200 20 30 DCEDRP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077219027 750275750 /nfs/dbraw/zinc/27/57/50/750275750.db2.gz GTBUVFXRYWQPOT-HUUCEWRRSA-N 2 0 307.438 0.600 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001046039412 750854182 /nfs/dbraw/zinc/85/41/82/750854182.db2.gz XWJZLHPEQUQTGI-HZPDHXFCSA-N 2 0 306.454 0.178 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001106246528 751063434 /nfs/dbraw/zinc/06/34/34/751063434.db2.gz NAUASBBHQVRVMS-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1 ZINC001106783837 751276639 /nfs/dbraw/zinc/27/66/39/751276639.db2.gz XRYKVMWTXSZGEP-HZPDHXFCSA-N 2 0 309.454 0.662 20 30 DCEDRP C=CCCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001113126680 762152880 /nfs/dbraw/zinc/15/28/80/762152880.db2.gz RQRRBEZNTDZWRI-UPTPFMHGSA-N 2 0 319.449 0.960 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=C)C)C[C@H]2O)CC1 ZINC001078227218 753122705 /nfs/dbraw/zinc/12/27/05/753122705.db2.gz OLYMIYVOJDCHFG-HZPDHXFCSA-N 2 0 305.422 0.069 20 30 DCEDRP C=C(C)C[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001046010131 753413985 /nfs/dbraw/zinc/41/39/85/753413985.db2.gz JALBDZPRZPLNOC-IRXDYDNUSA-N 2 0 320.481 0.875 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001046058149 753453787 /nfs/dbraw/zinc/45/37/87/753453787.db2.gz CYVUPJCFGHSTKT-QGZVFWFLSA-N 2 0 320.481 0.733 20 30 DCEDRP C=CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC001046064348 753458378 /nfs/dbraw/zinc/45/83/78/753458378.db2.gz LKNCGBWXKQQODZ-IRXDYDNUSA-N 2 0 320.481 0.733 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081904 753472111 /nfs/dbraw/zinc/47/21/11/753472111.db2.gz LRLPFBFTIYOGBZ-IAGOWNOFSA-N 2 0 318.465 0.180 20 30 DCEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001047472398 754312076 /nfs/dbraw/zinc/31/20/76/754312076.db2.gz JXRSMLMIBUNYOJ-ULQDDVLXSA-N 2 0 319.449 0.388 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](O)C1 ZINC001090261823 754831056 /nfs/dbraw/zinc/83/10/56/754831056.db2.gz PGSPVWDKIVJHRJ-JKSUJKDBSA-N 2 0 321.465 0.826 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN(C)CCO1 ZINC001049391855 755247217 /nfs/dbraw/zinc/24/72/17/755247217.db2.gz RRQJGNISQOHMPP-OAGGEKHMSA-N 2 0 305.422 0.406 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCO)CC2)CC1 ZINC001052953707 755884382 /nfs/dbraw/zinc/88/43/82/755884382.db2.gz GNDGHZIUCRMLLL-MRXNPFEDSA-N 2 0 307.438 0.295 20 30 DCEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080161388 756117947 /nfs/dbraw/zinc/11/79/47/756117947.db2.gz ZUWZASKRZXMFLA-HCBPCCMXSA-N 2 0 319.449 0.862 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOC)C[C@H]2C)CC1 ZINC001080992742 756415950 /nfs/dbraw/zinc/41/59/50/756415950.db2.gz XJWSBINQPGQYQB-GDBMZVCRSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001098368497 758793480 /nfs/dbraw/zinc/79/34/80/758793480.db2.gz QXLJNHDCAGKPTR-KRWDZBQOSA-N 2 0 319.449 0.247 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H](C[NH2+]C(C)C)C2)CC1 ZINC001051943680 759052474 /nfs/dbraw/zinc/05/24/74/759052474.db2.gz NYVGDKKTPLZGGW-INIZCTEOSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2[C@H](C)COC)CC1 ZINC001085986628 759547445 /nfs/dbraw/zinc/54/74/45/759547445.db2.gz JCGCBQNUVYVBSX-NVXWUHKLSA-N 2 0 321.465 0.899 20 30 DCEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001086432345 760184957 /nfs/dbraw/zinc/18/49/57/760184957.db2.gz RXLOYOHLIOZGJA-GZOJWHRLSA-N 2 0 319.449 0.910 20 30 DCEDRP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343685 760417732 /nfs/dbraw/zinc/41/77/32/760417732.db2.gz XPYIMYYTKSDXJH-INIZCTEOSA-N 2 0 313.442 0.348 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169799645 760848803 /nfs/dbraw/zinc/84/88/03/760848803.db2.gz WPNQRUGLUOTVKH-HUUCEWRRSA-N 2 0 324.469 0.647 20 30 DCEDRP C=CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001070435233 761236908 /nfs/dbraw/zinc/23/69/08/761236908.db2.gz AFEPOKCUCDYEQD-UONOGXRCSA-N 2 0 317.437 0.953 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148604224 768018311 /nfs/dbraw/zinc/01/83/11/768018311.db2.gz ACTRPPYYCLSRCU-MRXNPFEDSA-N 2 0 319.449 0.512 20 30 DCEDRP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C1CCC1)C[C@@H](C)O2 ZINC001071175824 761684697 /nfs/dbraw/zinc/68/46/97/761684697.db2.gz LRGRSLKESKWJSK-QAPCUYQASA-N 2 0 319.449 0.796 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CC[N@H+](C)C1)C[C@H](C)O2 ZINC001098662958 762706151 /nfs/dbraw/zinc/70/61/51/762706151.db2.gz RETOSUDHKGICQY-HOTGVXAUSA-N 2 0 319.449 0.653 20 30 DCEDRP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001114290118 762922500 /nfs/dbraw/zinc/92/25/00/762922500.db2.gz BHSDIFYKXCNUEK-MWDXBVQZSA-N 2 0 319.449 0.577 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001086970859 768106290 /nfs/dbraw/zinc/10/62/90/768106290.db2.gz KSXLNSGPICQYLS-ARFHVFGLSA-N 2 0 317.437 0.584 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1=O ZINC001129950464 763055331 /nfs/dbraw/zinc/05/53/31/763055331.db2.gz VGUQBPZUBPMFHS-KBPBESRZSA-N 2 0 310.442 0.065 20 30 DCEDRP C=CCCC[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074273 763284516 /nfs/dbraw/zinc/28/45/16/763284516.db2.gz KUCMSFXJBIXGFW-HUUCEWRRSA-N 2 0 313.442 0.082 20 30 DCEDRP C=CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100114332 763324169 /nfs/dbraw/zinc/32/41/69/763324169.db2.gz LSXVXQMCNZHBIJ-JKSUJKDBSA-N 2 0 309.454 0.990 20 30 DCEDRP CC#CC[NH2+]C1CC(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001100443419 763581800 /nfs/dbraw/zinc/58/18/00/763581800.db2.gz GPCPLDPYBYJLMX-UHFFFAOYSA-N 2 0 321.465 0.853 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001100674051 763715760 /nfs/dbraw/zinc/71/57/60/763715760.db2.gz KRYRSAJWKBAXOQ-WLYUNCDWSA-N 2 0 322.453 0.257 20 30 DCEDRP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001098479015 764437475 /nfs/dbraw/zinc/43/74/75/764437475.db2.gz OBZFHFOLKJVILF-ZBFHGGJFSA-N 2 0 307.438 0.103 20 30 DCEDRP C=CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001098479286 764524266 /nfs/dbraw/zinc/52/42/66/764524266.db2.gz ZPCBKEZHKYWBQW-GOEBONIOSA-N 2 0 309.454 0.655 20 30 DCEDRP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580577 764711954 /nfs/dbraw/zinc/71/19/54/764711954.db2.gz COIWAICZJMCOJJ-OWCLPIDISA-N 2 0 307.438 0.272 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[C@H]1C ZINC001133199323 764866119 /nfs/dbraw/zinc/86/61/19/764866119.db2.gz DJENSFVILFMYCX-CVEARBPZSA-N 2 0 321.465 0.805 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001133242528 764890064 /nfs/dbraw/zinc/89/00/64/764890064.db2.gz UHRAVPBCOQGFSB-CVEARBPZSA-N 2 0 309.454 0.662 20 30 DCEDRP C=C(Br)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285674 764906013 /nfs/dbraw/zinc/90/60/13/764906013.db2.gz COEVDIGBAAFQJZ-UHFFFAOYSA-N 2 0 304.232 0.943 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H](CC)[NH+](CC)CC)C1=O ZINC001133690759 765095200 /nfs/dbraw/zinc/09/52/00/765095200.db2.gz VPMVZHQPANYAHD-LSDHHAIUSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133967863 765260587 /nfs/dbraw/zinc/26/05/87/765260587.db2.gz GNAMULZEMBELMR-AWEZNQCLSA-N 2 0 310.442 0.233 20 30 DCEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001115245209 765660405 /nfs/dbraw/zinc/66/04/05/765660405.db2.gz NMIVUOVNAMECSF-WCVJEAGWSA-N 2 0 307.438 0.577 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001115299654 765680738 /nfs/dbraw/zinc/68/07/38/765680738.db2.gz CSALKWRNSJUZCR-TTZDDIAXSA-N 2 0 322.453 0.064 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001090525366 766153197 /nfs/dbraw/zinc/15/31/97/766153197.db2.gz KWKZADZICWNVOT-GJZGRUSLSA-N 2 0 319.405 0.530 20 30 DCEDRP C=C(Cl)CN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090540501 766302492 /nfs/dbraw/zinc/30/24/92/766302492.db2.gz PGFFUTVKIKBYAZ-UONOGXRCSA-N 2 0 315.845 0.632 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC)C[C@H]2O)CC1 ZINC001090830878 766649057 /nfs/dbraw/zinc/64/90/57/766649057.db2.gz QDYQWSVSYNJVDP-HZPDHXFCSA-N 2 0 307.438 0.293 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146591377 767484501 /nfs/dbraw/zinc/48/45/01/767484501.db2.gz GKTCRYYMOVKYLI-UONOGXRCSA-N 2 0 312.458 0.502 20 30 DCEDRP C=CCCN1CC(n2cc(CNC(=O)[C@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001094338149 768997176 /nfs/dbraw/zinc/99/71/76/768997176.db2.gz ANNZOCLYQVRJDE-ZDUSSCGKSA-N 2 0 318.425 0.279 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606318 769137525 /nfs/dbraw/zinc/13/75/25/769137525.db2.gz FJCKPXDAKOASMH-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001151048735 769245488 /nfs/dbraw/zinc/24/54/88/769245488.db2.gz FDZSZNIDRRXWTQ-OAHLLOKOSA-N 2 0 303.381 0.835 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001206642099 769435307 /nfs/dbraw/zinc/43/53/07/769435307.db2.gz RUNTZXOELKJCPI-UHFFFAOYSA-N 2 0 324.469 0.459 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H]2CCCCO2)CC1 ZINC001152330458 769529815 /nfs/dbraw/zinc/52/98/15/769529815.db2.gz NQFNHGSHCGRZHT-INIZCTEOSA-N 2 0 307.438 0.607 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)c1ccccc1C[NH+](C)C ZINC001152393213 769545959 /nfs/dbraw/zinc/54/59/59/769545959.db2.gz HQZSOVSYAXOCGS-UHFFFAOYSA-N 2 0 318.421 0.370 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152472028 769571259 /nfs/dbraw/zinc/57/12/59/769571259.db2.gz PRHGHYZWCXERAC-HUUCEWRRSA-N 2 0 324.469 0.503 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC#CCOC)CC1 ZINC001176926603 770227302 /nfs/dbraw/zinc/22/73/02/770227302.db2.gz QCJBEBSBYJWVFJ-UHFFFAOYSA-N 2 0 305.422 0.077 20 30 DCEDRP C#CCCN1CCO[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@H]21 ZINC001177124356 770327963 /nfs/dbraw/zinc/32/79/63/770327963.db2.gz JNUIYFAVOMAMRP-HZPDHXFCSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[NH+](CC)CC)[C@H]1C ZINC001179744553 771009729 /nfs/dbraw/zinc/00/97/29/771009729.db2.gz VUNHZRSUIGKHEQ-ILXRZTDVSA-N 2 0 324.469 0.598 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001182473107 771497297 /nfs/dbraw/zinc/49/72/97/771497297.db2.gz OIRJWUIWUCHQPS-HUUCEWRRSA-N 2 0 322.453 0.352 20 30 DCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001182623227 771514984 /nfs/dbraw/zinc/51/49/84/771514984.db2.gz HPPNXTXSAIOFGQ-CVEARBPZSA-N 2 0 307.438 0.721 20 30 DCEDRP N#CCCN(Cc1cccnc1)C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001157730710 771660042 /nfs/dbraw/zinc/66/00/42/771660042.db2.gz QXUBKABKYCUROC-HNNXBMFYSA-N 2 0 301.394 0.651 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001157899799 771688945 /nfs/dbraw/zinc/68/89/45/771688945.db2.gz VTALKFRMMLJQLI-HUUCEWRRSA-N 2 0 324.469 0.646 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001157899798 771689216 /nfs/dbraw/zinc/68/92/16/771689216.db2.gz VTALKFRMMLJQLI-GJZGRUSLSA-N 2 0 324.469 0.646 20 30 DCEDRP C#C[C@](C)([NH3+])C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159157100 771867755 /nfs/dbraw/zinc/86/77/55/771867755.db2.gz CUFBZIQQWPXYQC-KRWDZBQOSA-N 2 0 315.421 0.214 20 30 DCEDRP C[C@H](Nc1ncc2c(c1C#N)CCC[NH2+]C2)[C@H]1C[NH2+]CCO1 ZINC001159488477 771918094 /nfs/dbraw/zinc/91/80/94/771918094.db2.gz DKCGAVXGCLFJMA-XHDPSFHLSA-N 2 0 301.394 0.778 20 30 DCEDRP C#C[C@](C)([NH3+])C(=O)N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001159632835 771937582 /nfs/dbraw/zinc/93/75/82/771937582.db2.gz ATUHPDDTTYFMDP-GUYCJALGSA-N 2 0 317.437 0.977 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001185722885 771949136 /nfs/dbraw/zinc/94/91/36/771949136.db2.gz DNCKPTKRVKTWDJ-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001159854210 771968533 /nfs/dbraw/zinc/96/85/33/771968533.db2.gz MMPXMZCIXWNIQP-CQSZACIVSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1=O ZINC001159932754 771979909 /nfs/dbraw/zinc/97/99/09/771979909.db2.gz USLHPXRUYDDGTG-LSDHHAIUSA-N 2 0 322.453 0.209 20 30 DCEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)N2C[C@H]([NH3+])CC(F)(F)C2)c1 ZINC001160967185 772144132 /nfs/dbraw/zinc/14/41/32/772144132.db2.gz KIBDJEIUUZFYFD-OLZOCXBDSA-N 2 0 308.332 0.623 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)C[N@@H+]2CCC[C@@H]2C)(COC)CC1 ZINC001162482988 772378818 /nfs/dbraw/zinc/37/88/18/772378818.db2.gz ZPWAKTDIUVVAAY-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)(COC)CC1 ZINC001162481795 772378939 /nfs/dbraw/zinc/37/89/39/772378939.db2.gz FTWCOMRKJVZNHD-HZPDHXFCSA-N 2 0 321.465 0.662 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)(COC)CC1 ZINC001162576323 772394265 /nfs/dbraw/zinc/39/42/65/772394265.db2.gz CZSPHCBUHAHRDV-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872585 772427971 /nfs/dbraw/zinc/42/79/71/772427971.db2.gz XCZHOJFUEHIBIB-ISXOHVOVSA-N 2 0 307.438 0.912 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC#CCOC)C2)CC[N@@H+]1C ZINC001190247343 772610402 /nfs/dbraw/zinc/61/04/02/772610402.db2.gz OUGNQJUTBIUXCK-IXDOHACOSA-N 2 0 321.465 0.899 20 30 DCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001191431954 772768347 /nfs/dbraw/zinc/76/83/47/772768347.db2.gz XJJRJDYAUACXFH-BNQMIIOLSA-N 2 0 317.433 0.406 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152724 772875713 /nfs/dbraw/zinc/87/57/13/772875713.db2.gz HWLQXNVWHMKPCO-UONOGXRCSA-N 2 0 310.442 0.162 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001204798527 772962390 /nfs/dbraw/zinc/96/23/90/772962390.db2.gz KHKPQTJIIQEQBV-HNNXBMFYSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001205345570 772988089 /nfs/dbraw/zinc/98/80/89/772988089.db2.gz RCGMWXHFHVQMAF-SJORKVTESA-N 2 0 319.449 0.701 20 30 DCEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001193078420 773001202 /nfs/dbraw/zinc/00/12/02/773001202.db2.gz SOQLHIWHRDXVSC-OAHLLOKOSA-N 2 0 307.438 0.653 20 30 DCEDRP COCC#CC[NH2+]CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001206079809 773045510 /nfs/dbraw/zinc/04/55/10/773045510.db2.gz RKBRDLWGMJZWSZ-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP COCC#CC[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001206273834 773060665 /nfs/dbraw/zinc/06/06/65/773060665.db2.gz AMPRNQFMKMDUCK-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194293830 773178596 /nfs/dbraw/zinc/17/85/96/773178596.db2.gz JNGGHBYJOZRGIT-CABCVRRESA-N 2 0 324.469 0.550 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207568296 773238650 /nfs/dbraw/zinc/23/86/50/773238650.db2.gz ZQSDAIKHSZNBMS-GDBMZVCRSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001209951458 773662154 /nfs/dbraw/zinc/66/21/54/773662154.db2.gz LICFMLYLHKOREH-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001210773444 773735328 /nfs/dbraw/zinc/73/53/28/773735328.db2.gz JKQTUPHCCXRFDH-OAHLLOKOSA-N 2 0 322.453 0.048 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2conc2CC)CC1 ZINC001152334686 773739261 /nfs/dbraw/zinc/73/92/61/773739261.db2.gz OAGYOMSZPOCTAX-UHFFFAOYSA-N 2 0 318.421 0.788 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+][C@H](C)COC)C2)CC1 ZINC001211233689 773784442 /nfs/dbraw/zinc/78/44/42/773784442.db2.gz LUPXAJUKTPFOKS-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](OC)C1 ZINC001213434521 773846980 /nfs/dbraw/zinc/84/69/80/773846980.db2.gz FRPRHNDXHHSGTQ-BZUAXINKSA-N 2 0 309.454 0.946 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215413387 774071004 /nfs/dbraw/zinc/07/10/04/774071004.db2.gz DXLVVQZHQHVCLU-ZIAGYGMSSA-N 2 0 322.453 0.067 20 30 DCEDRP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001217555351 774184685 /nfs/dbraw/zinc/18/46/85/774184685.db2.gz TYTLBSICLZCTIR-OWCLPIDISA-N 2 0 307.438 0.958 20 30 DCEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)Nc2cnn(C3C[NH2+]C3)c2)c1 ZINC001218641835 774271417 /nfs/dbraw/zinc/27/14/17/774271417.db2.gz XBFZISALTFKAKJ-HNNXBMFYSA-N 2 0 310.361 0.408 20 30 DCEDRP CNC(=O)c1cc(C#N)cc(C)c1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001219161301 774393757 /nfs/dbraw/zinc/39/37/57/774393757.db2.gz ASFSSPYBBADZPE-LBPRGKRZSA-N 2 0 303.366 0.231 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCCO1 ZINC001200736759 774403278 /nfs/dbraw/zinc/40/32/78/774403278.db2.gz FCHKUEVPROMJRC-CVEARBPZSA-N 2 0 309.454 0.803 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCCO1 ZINC001200737094 774403594 /nfs/dbraw/zinc/40/35/94/774403594.db2.gz KCTCZFVQFZFXKM-HOTGVXAUSA-N 2 0 309.454 0.803 20 30 DCEDRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])Cc2cccc(C#N)c2)C1 ZINC001219641968 774569969 /nfs/dbraw/zinc/56/99/69/774569969.db2.gz NHHMXULEZWKHAL-RCBQFDQVSA-N 2 0 300.406 0.790 20 30 DCEDRP C=C[C@H]1C[C@@]1(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C(=O)OCC ZINC001220571304 774847971 /nfs/dbraw/zinc/84/79/71/774847971.db2.gz OFCYWRXTRFFWCG-XEZPLFJOSA-N 2 0 311.426 0.670 20 30 DCEDRP C=C(C)CN1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091737 774992291 /nfs/dbraw/zinc/99/22/91/774992291.db2.gz WFSGPBSEEZGIBH-OWCLPIDISA-N 2 0 309.454 0.844 20 30 DCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091394 774993114 /nfs/dbraw/zinc/99/31/14/774993114.db2.gz MWVCSTFYBWLCNM-PMPSAXMXSA-N 2 0 309.454 0.844 20 30 DCEDRP COCC#CC[NH+]1CCC(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001223472851 775494005 /nfs/dbraw/zinc/49/40/05/775494005.db2.gz WQFSGVNGDPXAIT-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC001223604454 775504324 /nfs/dbraw/zinc/50/43/24/775504324.db2.gz IQMBLBRCCJNKIQ-UHFFFAOYSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224346904 775562094 /nfs/dbraw/zinc/56/20/94/775562094.db2.gz RLQJDJBWZKXLTP-CQSZACIVSA-N 2 0 324.469 0.457 20 30 DCEDRP COCC#CC[NH2+]CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001266739198 939225147 /nfs/dbraw/zinc/22/51/47/939225147.db2.gz XFIUGUJTNKDFKB-UHFFFAOYSA-N 2 0 307.438 0.560 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001266822527 939246347 /nfs/dbraw/zinc/24/63/47/939246347.db2.gz ACJLNMLLHFUTRU-CVEARBPZSA-N 2 0 307.438 0.416 20 30 DCEDRP C=CCN1CC[C@H]([N@H+](CC)CCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001267247167 939401601 /nfs/dbraw/zinc/40/16/01/939401601.db2.gz BOUKEZFZTLQTEP-CABCVRRESA-N 2 0 322.453 0.306 20 30 DCEDRP C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001279738896 939615346 /nfs/dbraw/zinc/61/53/46/939615346.db2.gz YPZPSBFEWPLPNY-JKSUJKDBSA-N 2 0 307.438 0.437 20 30 DCEDRP COCC#CCN1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001318159450 945277610 /nfs/dbraw/zinc/27/76/10/945277610.db2.gz REXWUDZNAINCTP-QGZVFWFLSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCC[C@H](C)O)C2)CC1 ZINC001318176869 945281687 /nfs/dbraw/zinc/28/16/87/945281687.db2.gz RQXDSLUQRGASFB-HNNXBMFYSA-N 2 0 321.465 0.541 20 30 DCEDRP COCC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268116712 939950733 /nfs/dbraw/zinc/95/07/33/939950733.db2.gz TWUVEKCKAQJIQI-CVEARBPZSA-N 2 0 309.454 0.708 20 30 DCEDRP C#CCC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001268373777 940086740 /nfs/dbraw/zinc/08/67/40/940086740.db2.gz FCKDGLQXFNMKLU-OAHLLOKOSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268450677 940127350 /nfs/dbraw/zinc/12/73/50/940127350.db2.gz PTBKGVPVKCUZJV-OAHLLOKOSA-N 2 0 322.453 0.069 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268471152 940164504 /nfs/dbraw/zinc/16/45/04/940164504.db2.gz BWQVURYUWKXPRC-GJZGRUSLSA-N 2 0 324.469 0.600 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001279878697 940337378 /nfs/dbraw/zinc/33/73/78/940337378.db2.gz JGCLVGAINORQFS-UHFFFAOYSA-N 2 0 309.454 0.541 20 30 DCEDRP C#CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001270345631 940884900 /nfs/dbraw/zinc/88/49/00/940884900.db2.gz ISWNXAOFHZBHNZ-HZPDHXFCSA-N 2 0 321.465 0.635 20 30 DCEDRP C#CCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001270364294 940888027 /nfs/dbraw/zinc/88/80/27/940888027.db2.gz OPWFDXFHYCIZHW-HNNXBMFYSA-N 2 0 307.438 0.389 20 30 DCEDRP C=CCC[C@@H](C)[NH+]1CC(O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001271298193 941343732 /nfs/dbraw/zinc/34/37/32/941343732.db2.gz VYAGHKNLLAMQCB-CQSZACIVSA-N 2 0 309.454 0.988 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001271428453 941373438 /nfs/dbraw/zinc/37/34/38/941373438.db2.gz WDFIUDWEFGCPJQ-ZIAGYGMSSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CCC[NH2+]C1CCN(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001271912187 941478267 /nfs/dbraw/zinc/47/82/67/941478267.db2.gz PNIPSFOGXOORRK-MRXNPFEDSA-N 2 0 308.470 0.520 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001482564946 941506690 /nfs/dbraw/zinc/50/66/90/941506690.db2.gz IIFAPSCRZVRCON-CVEARBPZSA-N 2 0 309.454 0.708 20 30 DCEDRP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001484121985 943156094 /nfs/dbraw/zinc/15/60/94/943156094.db2.gz NGUYOXVEAYDSTB-AEFFLSMTSA-N 2 0 321.465 0.806 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001484243193 943249515 /nfs/dbraw/zinc/24/95/15/943249515.db2.gz UDQOFSNUWJCIOL-KRWDZBQOSA-N 2 0 309.454 0.847 20 30 DCEDRP CC#CC[NH2+]C1CCN(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001484424075 943369446 /nfs/dbraw/zinc/36/94/46/943369446.db2.gz XUFLXJAKGYFHNE-UHFFFAOYSA-N 2 0 318.465 0.276 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001484573614 943455749 /nfs/dbraw/zinc/45/57/49/943455749.db2.gz UPEVDYBLLVWYNT-BRWVUGGUSA-N 2 0 321.465 0.853 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001485154349 943721472 /nfs/dbraw/zinc/72/14/72/943721472.db2.gz DESBLBMPRUGEJQ-STQMWFEESA-N 2 0 310.442 0.256 20 30 DCEDRP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001485580282 944014104 /nfs/dbraw/zinc/01/41/04/944014104.db2.gz FMKYWOJTWYIVRY-LSDHHAIUSA-N 2 0 309.454 0.967 20 30 DCEDRP CC[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CC#CCOC)C2)[NH+](C)C ZINC001485663765 944067259 /nfs/dbraw/zinc/06/72/59/944067259.db2.gz FAMQPHRBASODJL-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001485997792 944472098 /nfs/dbraw/zinc/47/20/98/944472098.db2.gz RQYKHODUADNXSK-HOTGVXAUSA-N 2 0 321.465 0.731 20 30 DCEDRP C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001486027916 944508789 /nfs/dbraw/zinc/50/87/89/944508789.db2.gz QDSRZZYQSALSTC-ZBFHGGJFSA-N 2 0 307.438 0.483 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001277087906 944657655 /nfs/dbraw/zinc/65/76/55/944657655.db2.gz SVEMMDBYSDQKEY-AJNGGQMLSA-N 2 0 322.453 0.113 20 30 DCEDRP C#CCC[NH+]1CCN(CCCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001316959141 944682835 /nfs/dbraw/zinc/68/28/35/944682835.db2.gz SSMVMBBKGPSGAU-KRWDZBQOSA-N 2 0 322.497 0.720 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[NH2+]CCC=C)CC1 ZINC001486317431 944762774 /nfs/dbraw/zinc/76/27/74/944762774.db2.gz IMIBZTMUOZVBMV-MRXNPFEDSA-N 2 0 307.438 0.317 20 30 DCEDRP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001486341684 944822009 /nfs/dbraw/zinc/82/20/09/944822009.db2.gz TWAHIHDERATCPC-INIZCTEOSA-N 2 0 321.465 0.637 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CCCOC)C2)CC1 ZINC001317346321 944934491 /nfs/dbraw/zinc/93/44/91/944934491.db2.gz SAZXHOWUAYYJTO-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC#CCOC)C1)[NH+](C)C ZINC001317374889 944943884 /nfs/dbraw/zinc/94/38/84/944943884.db2.gz GWTZMCSGWDCVJQ-HZPDHXFCSA-N 2 0 309.454 0.899 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001317396769 944953844 /nfs/dbraw/zinc/95/38/44/944953844.db2.gz QESKXMNZKGXNJL-HZPDHXFCSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCN1CC[C@@H](N(C)CCNC(=O)C[N@@H+](C)C(C)C)C1=O ZINC001317471189 944989299 /nfs/dbraw/zinc/98/92/99/944989299.db2.gz DQZYJNGYDCOTTN-CQSZACIVSA-N 2 0 310.442 0.162 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]C[C@@H]2CCOC2)CC1 ZINC001318608790 945412308 /nfs/dbraw/zinc/41/23/08/945412308.db2.gz YUUZXSGZDNFOFO-DOTOQJQBSA-N 2 0 321.465 0.853 20 30 DCEDRP C[C@H](Cc1cccc(C#N)c1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246819787 945496289 /nfs/dbraw/zinc/49/62/89/945496289.db2.gz IYKJNQJJESQTCL-MRXNPFEDSA-N 2 0 315.465 0.574 20 30 DCEDRP C=CCOC1CCC([NH+]2CCNCC[NH2+]CCNCC2)CC1 ZINC001246823468 945498824 /nfs/dbraw/zinc/49/88/24/945498824.db2.gz VKLXWSGMGVSMJZ-UHFFFAOYSA-N 2 0 310.486 0.585 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]C[C@@H](C)O)CC(C)C)CC1 ZINC001319641702 945637719 /nfs/dbraw/zinc/63/77/19/945637719.db2.gz AMUCCXUHXZVINB-WBVHZDCISA-N 2 0 323.481 0.833 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001273180581 945678394 /nfs/dbraw/zinc/67/83/94/945678394.db2.gz SWCRCQMLPSICJK-CQSZACIVSA-N 2 0 322.453 0.259 20 30 DCEDRP C=CCC[NH2+]C[C@@H](O)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001320240678 945783000 /nfs/dbraw/zinc/78/30/00/945783000.db2.gz BPKHABLSJRAIJP-CQSZACIVSA-N 2 0 302.378 0.899 20 30 DCEDRP C#CCOC[C@@H](O)C[NH2+]CC1CC[NH+](Cc2cccnc2)CC1 ZINC001251897489 945814795 /nfs/dbraw/zinc/81/47/95/945814795.db2.gz YYZTZNMSJHRVTP-SFHVURJKSA-N 2 0 317.433 0.894 20 30 DCEDRP C=CCOC[C@@H](O)C[NH+]1CCN(CC[NH+](CC=C)CC=C)CC1 ZINC001252473449 945946450 /nfs/dbraw/zinc/94/64/50/945946450.db2.gz LNIUOVPPJRPQAF-SFHVURJKSA-N 2 0 323.481 0.842 20 30 DCEDRP C=CCC[C@@H](O)C[NH+]1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001252595554 945967968 /nfs/dbraw/zinc/96/79/68/945967968.db2.gz IQTZJBBEZZUQKK-BRWVUGGUSA-N 2 0 312.454 0.983 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)CCO1 ZINC001273316635 946495561 /nfs/dbraw/zinc/49/55/61/946495561.db2.gz UJBXJIMYFNEHHW-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CC[N@@H+](CCOC)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001323748439 947188751 /nfs/dbraw/zinc/18/87/51/947188751.db2.gz ISRKNXKPUPGVLE-UHFFFAOYSA-N 2 0 309.454 0.901 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001411109016 947343970 /nfs/dbraw/zinc/34/39/70/947343970.db2.gz ZJEIJBUUODAGKH-DGCLKSJQSA-N 2 0 303.834 0.490 20 30 DCEDRP C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001325161010 947687763 /nfs/dbraw/zinc/68/77/63/947687763.db2.gz LGNDDHRAVRPXCY-NVXWUHKLSA-N 2 0 309.454 0.846 20 30 DCEDRP C=CCOCC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001325778648 947921072 /nfs/dbraw/zinc/92/10/72/947921072.db2.gz IWUAFIHOBPYHRX-IYBDPMFKSA-N 2 0 307.438 0.675 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]CC#CCOC)C1 ZINC001326418887 948156280 /nfs/dbraw/zinc/15/62/80/948156280.db2.gz MHSONZKMUHPEAQ-INIZCTEOSA-N 2 0 309.454 0.806 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001327111479 948400165 /nfs/dbraw/zinc/40/01/65/948400165.db2.gz RVNNOWJOMHYSAI-GJZGRUSLSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001328197988 948739921 /nfs/dbraw/zinc/73/99/21/948739921.db2.gz HDXZPOJMZFSMSZ-OAHLLOKOSA-N 2 0 309.454 0.683 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001263865824 948789482 /nfs/dbraw/zinc/78/94/82/948789482.db2.gz VLIPDRASETXDKG-RBSFLKMASA-N 2 0 300.406 0.953 20 30 DCEDRP C#CC[NH2+]CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390912045 949117445 /nfs/dbraw/zinc/11/74/45/949117445.db2.gz XRXRCWCQWPFVES-KRWDZBQOSA-N 2 0 315.417 0.617 20 30 DCEDRP COCC#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001329473977 949623792 /nfs/dbraw/zinc/62/37/92/949623792.db2.gz GHSAJCYHDDSAQM-HUUCEWRRSA-N 2 0 318.421 0.532 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265491786 949724270 /nfs/dbraw/zinc/72/42/70/949724270.db2.gz CKOQRQAXPSILHF-MGPQQGTHSA-N 2 0 322.453 0.256 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266012962 950253749 /nfs/dbraw/zinc/25/37/49/950253749.db2.gz OFOXFSXXPZJPGE-JKSUJKDBSA-N 2 0 309.454 0.661 20 30 DCEDRP C=C(Cl)CN(C)CCOCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001331161245 950978864 /nfs/dbraw/zinc/97/88/64/950978864.db2.gz NNYHSXRVYXKIDS-ZDUSSCGKSA-N 2 0 303.834 0.755 20 30 DCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001281194270 951363206 /nfs/dbraw/zinc/36/32/06/951363206.db2.gz XQJGRWNHMOMQKJ-QGZVFWFLSA-N 2 0 309.454 0.992 20 30 DCEDRP C=CCOC(=O)[C@@H](N)CC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC001331968232 951414822 /nfs/dbraw/zinc/41/48/22/951414822.db2.gz GDOZUVQHASGQRY-BLLLJJGKSA-N 2 0 311.426 0.657 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001281612579 951561379 /nfs/dbraw/zinc/56/13/79/951561379.db2.gz CBILAXPOCWICJC-INIZCTEOSA-N 2 0 321.465 0.826 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001332341504 951596278 /nfs/dbraw/zinc/59/62/78/951596278.db2.gz PYEQCXFMYODUJU-HOTGVXAUSA-N 2 0 309.454 0.851 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC#CCOC)C(C)(C)C1 ZINC001332438384 951646567 /nfs/dbraw/zinc/64/65/67/951646567.db2.gz RZGKMCWKMFEGMA-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001332649157 951743831 /nfs/dbraw/zinc/74/38/31/951743831.db2.gz ZDZZTPQIKQWDHG-OAHLLOKOSA-N 2 0 307.438 0.389 20 30 DCEDRP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001332649152 951744905 /nfs/dbraw/zinc/74/49/05/951744905.db2.gz YYTFGXQQZWEBAR-HNNXBMFYSA-N 2 0 309.454 0.942 20 30 DCEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C(C)(C)C ZINC001332900223 951842807 /nfs/dbraw/zinc/84/28/07/951842807.db2.gz SSAZZAQKVBYUAM-HUUCEWRRSA-N 2 0 309.454 0.708 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)CCNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC001340077472 953142686 /nfs/dbraw/zinc/14/26/86/953142686.db2.gz QDCBBRXYROPPBK-HNNXBMFYSA-N 2 0 310.442 0.243 20 30 DCEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001341664738 953243959 /nfs/dbraw/zinc/24/39/59/953243959.db2.gz DZMDJIZWDOSFKL-NWDGAFQWSA-N 2 0 322.375 0.622 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001282203531 953522476 /nfs/dbraw/zinc/52/24/76/953522476.db2.gz OMNYOKWBJHRESM-HUUCEWRRSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001282885309 953719341 /nfs/dbraw/zinc/71/93/41/953719341.db2.gz KGXZBDIXRAOXEZ-LUKYLMHMSA-N 2 0 321.465 0.825 20 30 DCEDRP C[NH+]1CCN(CC[NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC001346136582 953808465 /nfs/dbraw/zinc/80/84/65/953808465.db2.gz LKNHOJHKRFSOJW-MRXNPFEDSA-N 2 0 318.421 0.135 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CCC(=C)C)CC1 ZINC001283832797 954644105 /nfs/dbraw/zinc/64/41/05/954644105.db2.gz XOGMPTMPBAREIV-MRXNPFEDSA-N 2 0 307.438 0.365 20 30 DCEDRP N#CCCCC[C@H]([NH3+])C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001350405247 955085083 /nfs/dbraw/zinc/08/50/83/955085083.db2.gz MQKKTLBKWPRFHE-CABCVRRESA-N 2 0 308.426 0.767 20 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/nfs/dbraw/zinc/10/20/46/958102046.db2.gz KPHZYXPDFVYNRR-GHMZBOCLSA-N 2 0 320.231 0.056 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001316665533 958734435 /nfs/dbraw/zinc/73/44/35/958734435.db2.gz ZCECDEPSZBZNEF-JKSUJKDBSA-N 2 0 319.449 0.607 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001376871018 959024904 /nfs/dbraw/zinc/02/49/04/959024904.db2.gz ZEHCFWKSVUMAIV-STQMWFEESA-N 2 0 301.818 0.508 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001491830891 959279973 /nfs/dbraw/zinc/27/99/73/959279973.db2.gz AYJZWTYZPFBHPG-ZIAGYGMSSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1OCC ZINC001316691378 960044250 /nfs/dbraw/zinc/04/42/50/960044250.db2.gz DFLBNCUWMBEJJM-ARFHVFGLSA-N 2 0 307.438 0.415 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001316846037 960107574 /nfs/dbraw/zinc/10/75/74/960107574.db2.gz VANYPTIBFDMTIC-CQSZACIVSA-N 2 0 324.469 0.457 20 30 DCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC001379217171 962388056 /nfs/dbraw/zinc/38/80/56/962388056.db2.gz ANCBUZMRNCZYTM-HZPDHXFCSA-N 2 0 316.405 0.219 20 30 DCEDRP C=C(Cl)C[NH2+][C@H](C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001369159858 964469118 /nfs/dbraw/zinc/46/91/18/964469118.db2.gz YDRYMWODFMCJKC-CHWSQXEVSA-N 2 0 303.834 0.896 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001502573350 1015979031 /nfs/dbraw/zinc/97/90/31/1015979031.db2.gz NFERXSUNWYAXDU-RDJZCZTQSA-N 2 0 307.438 0.437 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001565497380 1012174428 /nfs/dbraw/zinc/17/44/28/1012174428.db2.gz LIIDXNYNYGPOFC-MRXNPFEDSA-N 2 0 306.454 0.973 20 30 DCEDRP C#CC[NH2+]CC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001521954615 1017422992 /nfs/dbraw/zinc/42/29/92/1017422992.db2.gz FVFFTHKZMKDKKM-UHFFFAOYSA-N 2 0 300.406 0.633 20 30 DCEDRP COCC#CCN1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001506656279 1017441348 /nfs/dbraw/zinc/44/13/48/1017441348.db2.gz RLMSOZUANWPBDA-LSDHHAIUSA-N 2 0 307.438 0.415 20 30 DCEDRP C=CCNC(=O)C[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001479778086 1017740602 /nfs/dbraw/zinc/74/06/02/1017740602.db2.gz LSSRPYAOEFGELF-CQSZACIVSA-N 2 0 310.442 0.211 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC#CCOC)C1CC1 ZINC001480064832 1018175009 /nfs/dbraw/zinc/17/50/09/1018175009.db2.gz DDPDANJFYDOHFH-IAGOWNOFSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001500106679 1018225614 /nfs/dbraw/zinc/22/56/14/1018225614.db2.gz JLJTVXRCMFVZJB-MRXNPFEDSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001500715204 1018606293 /nfs/dbraw/zinc/60/62/93/1018606293.db2.gz TVFHFZPWESPKEW-WBVHZDCISA-N 2 0 307.438 0.295 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001480708871 1018793371 /nfs/dbraw/zinc/79/33/71/1018793371.db2.gz HYKYVTDPCRFUEF-GJZGRUSLSA-N 2 0 324.469 0.646 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001498306485 1018929961 /nfs/dbraw/zinc/92/99/61/1018929961.db2.gz QMDOYOVBTJKNRM-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCC[NH+]1CCC[C@](CO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001501359494 1019093838 /nfs/dbraw/zinc/09/38/38/1019093838.db2.gz DKNBPXOLCOSLQF-RDJZCZTQSA-N 2 0 309.454 0.847 20 30 DCEDRP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001501369862 1019104502 /nfs/dbraw/zinc/10/45/02/1019104502.db2.gz SSYDWVFDXAHOQB-QGZVFWFLSA-N 2 0 309.454 0.992 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001493211633 1019207581 /nfs/dbraw/zinc/20/75/81/1019207581.db2.gz RRTDGLOIEHSHLM-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001493380516 1019376640 /nfs/dbraw/zinc/37/66/40/1019376640.db2.gz SXPDZRXZPNRJHX-INIZCTEOSA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001501898603 1019543707 /nfs/dbraw/zinc/54/37/07/1019543707.db2.gz VWUXIVILKYDREF-OAHLLOKOSA-N 2 0 322.453 0.355 20 30 DCEDRP C#CCC[NH+]1CCN(CCN(C)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001494108096 1019986899 /nfs/dbraw/zinc/98/68/99/1019986899.db2.gz GGXNQAMSYKNDHE-UHFFFAOYSA-N 2 0 308.470 0.426 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CCOC)CC1 ZINC001494198121 1020066709 /nfs/dbraw/zinc/06/67/09/1020066709.db2.gz MSZMXQUGAKNEPZ-KRWDZBQOSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CCNC(=O)CC[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000491697931 241132491 /nfs/dbraw/zinc/13/24/91/241132491.db2.gz RWNYJZABNFOWFI-UHFFFAOYSA-N 2 0 303.406 0.856 20 30 DCEDRP C#CCCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000265034759 204356070 /nfs/dbraw/zinc/35/60/70/204356070.db2.gz GXQXQPFBNHNGPQ-UHFFFAOYSA-N 2 0 315.421 0.916 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000601317426 397052848 /nfs/dbraw/zinc/05/28/48/397052848.db2.gz LFOCSXKSZAULJV-OAHLLOKOSA-N 2 0 309.458 0.182 20 30 DCEDRP C[C@H](C(=O)N(C)CCC#N)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000126411138 415874616 /nfs/dbraw/zinc/87/46/16/415874616.db2.gz QHNGNGXTBOMNQE-OAHLLOKOSA-N 2 0 323.485 0.705 20 30 DCEDRP CN1CCC([NH+]2CCC(NC(=O)NCC[NH+]3CCC3)CC2)CC1 ZINC000328732918 416128612 /nfs/dbraw/zinc/12/86/12/416128612.db2.gz XTQKLULXRYLRTG-UHFFFAOYSA-N 2 0 323.485 0.754 20 30 DCEDRP C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329476552 416172040 /nfs/dbraw/zinc/17/20/40/416172040.db2.gz UDVUHTFETACHJQ-OAHLLOKOSA-N 2 0 323.485 0.753 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000419725695 416406411 /nfs/dbraw/zinc/40/64/11/416406411.db2.gz IWMWDGWUFSUJDP-KBPBESRZSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000491375150 416597192 /nfs/dbraw/zinc/59/71/92/416597192.db2.gz URUDICBEAOZAJX-HNNXBMFYSA-N 2 0 310.442 0.088 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@@H+](C)[C@]2(CO)CC[C@@H](C)C2)CC1 ZINC000491040033 416583021 /nfs/dbraw/zinc/58/30/21/416583021.db2.gz RTJJGNYFLUCUAF-NVXWUHKLSA-N 2 0 307.438 0.247 20 30 DCEDRP C#CCNC(=O)CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000491714878 416618182 /nfs/dbraw/zinc/61/81/82/416618182.db2.gz HZJCMKZOQBTLOO-HZPDHXFCSA-N 2 0 307.438 0.483 20 30 DCEDRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424154722 416619118 /nfs/dbraw/zinc/61/91/18/416619118.db2.gz LTUULTHHNOOUJG-ZIAGYGMSSA-N 2 0 323.441 0.066 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000491802314 416630811 /nfs/dbraw/zinc/63/08/11/416630811.db2.gz GCODBYOEJWMBNC-CVEARBPZSA-N 2 0 321.465 0.493 20 30 DCEDRP C#CCNC(=O)CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000491817981 416632637 /nfs/dbraw/zinc/63/26/37/416632637.db2.gz WPFFAQBHJOUAJI-UHFFFAOYSA-N 2 0 307.438 0.703 20 30 DCEDRP CN1CCN(c2cc[nH+]cc2NC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000564572832 416893046 /nfs/dbraw/zinc/89/30/46/416893046.db2.gz VTEJJMHKHKTVNX-ZDUSSCGKSA-N 2 0 316.409 0.793 20 30 DCEDRP C=CC[C@]1(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)CCC[NH2+]1 ZINC000662746773 417882276 /nfs/dbraw/zinc/88/22/76/417882276.db2.gz ROUMZUQITAIXFC-DOTOQJQBSA-N 2 0 307.438 0.865 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001263930654 1159145902 /nfs/dbraw/zinc/14/59/02/1159145902.db2.gz VSNVGURYOQWUKS-JKSUJKDBSA-N 2 0 307.438 0.607 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000125830667 340811056 /nfs/dbraw/zinc/81/10/56/340811056.db2.gz AVJPROMWXHHOBN-MRXNPFEDSA-N 2 0 312.458 0.639 20 30 DCEDRP C[C@H]1C[NH+]=C(NCc2cccc(C(=O)NCC[NH+](C)C)c2)N1 ZINC000262644692 533990577 /nfs/dbraw/zinc/99/05/77/533990577.db2.gz IUFPKBHIBNEZGK-LBPRGKRZSA-N 2 0 303.410 0.415 20 30 DCEDRP C[NH+]=C(NCC(=O)NC(C)C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262494965 526347432 /nfs/dbraw/zinc/34/74/32/526347432.db2.gz WCPGJHSKKMFESN-CQSZACIVSA-N 2 0 309.458 0.647 20 30 DCEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCc2ccccc2C1 ZINC000262793678 526373029 /nfs/dbraw/zinc/37/30/29/526373029.db2.gz SHMQTAWQSCTULH-QGZVFWFLSA-N 2 0 313.449 0.620 20 30 DCEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000264132733 527811403 /nfs/dbraw/zinc/81/14/03/527811403.db2.gz YJYKLNWRUJBONV-CQSZACIVSA-N 2 0 317.441 0.255 20 30 DCEDRP C=C(C)C[NH2+]C1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001672451576 1175109223 /nfs/dbraw/zinc/10/92/23/1175109223.db2.gz NWSLBXWHAXVOLG-INIZCTEOSA-N 2 0 308.470 0.827 20 30 DCEDRP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4nccn4C3)[C@@H]2C1 ZINC000978411285 660534961 /nfs/dbraw/zinc/53/49/61/660534961.db2.gz QKLZDHFMJPFSMV-FPCVCCKLSA-N 2 0 312.417 0.763 20 30 DCEDRP C=CC[NH+]1CC([C@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000970557072 657631602 /nfs/dbraw/zinc/63/16/02/657631602.db2.gz JVRVDFFYSWCQEL-ZDUSSCGKSA-N 2 0 305.426 0.681 20 30 DCEDRP C#CC[NH2+][C@H]1CN(C(=O)c2cc(CN3CCCC3)on2)C[C@@H]1C ZINC000939147978 665502855 /nfs/dbraw/zinc/50/28/55/665502855.db2.gz QKLHNTTWTMLLRQ-BBRMVZONSA-N 2 0 316.405 0.954 20 30 DCEDRP CC#CCN1CCO[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC000972553045 657766741 /nfs/dbraw/zinc/76/67/41/657766741.db2.gz XVCYOAZPPISLDA-SJLPKXTDSA-N 2 0 319.449 0.797 20 30 DCEDRP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001023448911 657875989 /nfs/dbraw/zinc/87/59/89/657875989.db2.gz BEIZIOPLGNONCS-HUUCEWRRSA-N 2 0 300.406 0.907 20 30 DCEDRP CC#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000972673246 658220486 /nfs/dbraw/zinc/22/04/86/658220486.db2.gz GECWVAXKQXSTSQ-NVXWUHKLSA-N 2 0 305.422 0.265 20 30 DCEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000970192194 658720566 /nfs/dbraw/zinc/72/05/66/658720566.db2.gz YDEWCYMDJWKCRL-XOSUWLCWSA-N 2 0 305.422 0.472 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](C[C@@H](C)O)CC2(C)C)CC1 ZINC000977635294 659791927 /nfs/dbraw/zinc/79/19/27/659791927.db2.gz AJCFZGRWJNHIOM-ZBFHGGJFSA-N 2 0 321.465 0.539 20 30 DCEDRP C=CC[N@H+]1CC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001028545508 661604771 /nfs/dbraw/zinc/60/47/71/661604771.db2.gz HQWQOJSADGTSDH-CQSZACIVSA-N 2 0 305.426 0.682 20 30 DCEDRP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N(C)Cc1cccn1C ZINC000262017924 661961582 /nfs/dbraw/zinc/96/15/82/661961582.db2.gz YEYPDFFIZRNLSA-MRXNPFEDSA-N 2 0 320.485 0.668 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)COC ZINC001029342539 662111533 /nfs/dbraw/zinc/11/15/33/662111533.db2.gz SZQZSPYFHBMPGR-NXOAAHMSSA-N 2 0 319.449 0.794 20 30 DCEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001000431492 665839017 /nfs/dbraw/zinc/83/90/17/665839017.db2.gz JDGWNKKZBMJCRN-OAHLLOKOSA-N 2 0 305.426 0.825 20 30 DCEDRP Cc1c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cnn1CCC#N ZINC000896682454 662304505 /nfs/dbraw/zinc/30/45/05/662304505.db2.gz TYZUWLUYINOCHW-UHFFFAOYSA-N 2 0 320.441 0.671 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCOC)C2)CC1 ZINC000729979240 662914767 /nfs/dbraw/zinc/91/47/67/662914767.db2.gz CHYCOQRNUSKTDZ-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000901272579 663334358 /nfs/dbraw/zinc/33/43/58/663334358.db2.gz MSQCQIZPQGCIFN-DLBZAZTESA-N 2 0 322.497 0.979 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000911236416 664008945 /nfs/dbraw/zinc/00/89/45/664008945.db2.gz QTACHEFJWZTUMB-DYVFJYSZSA-N 2 0 320.437 0.093 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CC[NH2+]C)C(C)C)CC1 ZINC000911235441 664012522 /nfs/dbraw/zinc/01/25/22/664012522.db2.gz DVHOGXDGUDLVQL-UHFFFAOYSA-N 2 0 324.469 0.600 20 30 DCEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001672004040 1157405953 /nfs/dbraw/zinc/40/59/53/1157405953.db2.gz RLHFBZKMDNYWOH-RDJZCZTQSA-N 2 0 307.438 0.437 20 30 DCEDRP CN(CCC[NH+](C)C)CCNC(=O)c1cccc(C#CCO)c1 ZINC000912387061 664166176 /nfs/dbraw/zinc/16/61/76/664166176.db2.gz NGGHEMKTVQNUCA-UHFFFAOYSA-N 2 0 317.433 0.644 20 30 DCEDRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCC#CC[NH+](C)C)cn1 ZINC000913523650 664335016 /nfs/dbraw/zinc/33/50/16/664335016.db2.gz HKPFTNIYPKKGBB-JKSUJKDBSA-N 2 0 317.437 0.137 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CCOCC1(C)C ZINC000170914953 664595533 /nfs/dbraw/zinc/59/55/33/664595533.db2.gz KRJZVFJLPPGZKN-CQSZACIVSA-N 2 0 311.474 0.486 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)NCCC[N@@H+](C)CCOC)CC1 ZINC000914176267 664762390 /nfs/dbraw/zinc/76/23/90/664762390.db2.gz BTKNVPXNRBMFKR-UHFFFAOYSA-N 2 0 310.442 0.352 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001691085360 1157575325 /nfs/dbraw/zinc/57/53/25/1157575325.db2.gz DKSWSTJTXGSFIL-HOTGVXAUSA-N 2 0 309.454 0.803 20 30 DCEDRP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942056437 666103695 /nfs/dbraw/zinc/10/36/95/666103695.db2.gz HCHFMNDTDPKBDO-LSDHHAIUSA-N 2 0 317.437 0.518 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2COCCN2CC2CCC2)CC1 ZINC001003378997 666303132 /nfs/dbraw/zinc/30/31/32/666303132.db2.gz YGXWQECEIMFFNK-QGZVFWFLSA-N 2 0 319.449 0.701 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+]([C@H](C)COC)CC2)CC1 ZINC001004201965 666475952 /nfs/dbraw/zinc/47/59/52/666475952.db2.gz UAKNUDLIPHPILJ-OAHLLOKOSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+](C[C@H](C)O)C2)CC1 ZINC001034044713 666906394 /nfs/dbraw/zinc/90/63/94/666906394.db2.gz DMWWKTDOASENOX-RDJZCZTQSA-N 2 0 321.465 0.635 20 30 DCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001034693577 667111734 /nfs/dbraw/zinc/11/17/34/667111734.db2.gz DKWNNIVBZYGRCN-BFKWJSRZSA-N 2 0 317.433 0.500 20 30 DCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(C#N)cn1 ZINC000889232686 667302303 /nfs/dbraw/zinc/30/23/03/667302303.db2.gz DBKNXJVJIUESFR-UHFFFAOYSA-N 2 0 304.398 0.910 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001036211216 667430166 /nfs/dbraw/zinc/43/01/66/667430166.db2.gz JDELJFGIZCKGHL-ZBFHGGJFSA-N 2 0 317.437 0.518 20 30 DCEDRP C#CCCCS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867589009 667472788 /nfs/dbraw/zinc/47/27/88/667472788.db2.gz BGNOXJLGWQYBCN-HUUCEWRRSA-N 2 0 315.483 0.401 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CC[N@@H+]3CCCC[C@@H]13)C2 ZINC000884195687 667495015 /nfs/dbraw/zinc/49/50/15/667495015.db2.gz WGZPQVAXNMHVGV-QJNCVLDKSA-N 2 0 302.422 0.869 20 30 DCEDRP N#Cc1cc(F)ccc1N1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923416743 667527576 /nfs/dbraw/zinc/52/75/76/667527576.db2.gz YQCKLPLUEPFPOV-BPUTZDHNSA-N 2 0 304.369 0.670 20 30 DCEDRP C[C@@H]1C[C@H](C)N(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[C@@H]1C[NH3+] ZINC000884348064 667529394 /nfs/dbraw/zinc/52/93/94/667529394.db2.gz MUCOGTKTYFQQGN-RYNCHKNESA-N 2 0 304.438 0.958 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923454162 667537008 /nfs/dbraw/zinc/53/70/08/667537008.db2.gz OUXJUBASBDKCKR-OLZOCXBDSA-N 2 0 324.425 0.217 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000884643172 667581297 /nfs/dbraw/zinc/58/12/97/667581297.db2.gz YWMMXPGNDQAAFJ-HDJSIYSDSA-N 2 0 322.453 0.387 20 30 DCEDRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccnc(C#N)c2)C[C@H]1C[NH+](C)C ZINC000870018565 667698454 /nfs/dbraw/zinc/69/84/54/667698454.db2.gz DESAPXZSBIMIRN-HUUCEWRRSA-N 2 0 315.421 0.765 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000838621766 667701430 /nfs/dbraw/zinc/70/14/30/667701430.db2.gz AYFDAOLQURRASC-UHFFFAOYSA-N 2 0 310.442 0.040 20 30 DCEDRP C#CC[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000886353190 667758949 /nfs/dbraw/zinc/75/89/49/667758949.db2.gz DFAKUXFOKMPBQU-DLBZAZTESA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCN1CCC[C@H](NC(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000890362629 668120221 /nfs/dbraw/zinc/12/02/21/668120221.db2.gz FXBMQZSOYINFLV-HRCADAONSA-N 2 0 320.437 0.246 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000876783572 668510506 /nfs/dbraw/zinc/51/05/06/668510506.db2.gz HFZXCHVYBOOQDI-UONOGXRCSA-N 2 0 314.861 0.695 20 30 DCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000876865877 668523688 /nfs/dbraw/zinc/52/36/88/668523688.db2.gz JLCSIONPVNPSRG-ZIAGYGMSSA-N 2 0 320.343 0.858 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000877115764 668564243 /nfs/dbraw/zinc/56/42/43/668564243.db2.gz HGARHCXAFOHHGL-QGZVFWFLSA-N 2 0 319.449 0.607 20 30 DCEDRP CN(C)c1cc[nH+]cc1C=NNC(=S)NCCC[NH+](C)C ZINC000776185709 668872521 /nfs/dbraw/zinc/87/25/21/668872521.db2.gz FJFPBBSXVNPVSM-UHFFFAOYSA-N 2 0 308.455 0.897 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000855345499 670700610 /nfs/dbraw/zinc/70/06/10/670700610.db2.gz CBBUQTHVLTZWHU-INIZCTEOSA-N 2 0 322.497 0.720 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNc1ncccc1C#N ZINC000848989424 670746099 /nfs/dbraw/zinc/74/60/99/670746099.db2.gz HUWYUWWFZPADHY-CQSZACIVSA-N 2 0 315.425 0.963 20 30 DCEDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000852791071 671160767 /nfs/dbraw/zinc/16/07/67/671160767.db2.gz CKCSVNRYMXXISW-KRWDZBQOSA-N 2 0 314.433 0.872 20 30 DCEDRP [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852891624 671188135 /nfs/dbraw/zinc/18/81/35/671188135.db2.gz UOSBRPUXFHMVKC-WMZOPIPTSA-N 2 0 319.449 0.734 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2C[C@@H](C)O)CC1 ZINC001024812400 693836084 /nfs/dbraw/zinc/83/60/84/693836084.db2.gz OJHNPWQBAFMATF-NVXWUHKLSA-N 2 0 321.465 0.683 20 30 DCEDRP C[C@@H]1C[NH+](CCCNC(=[NH2+])N2CCSCC2)C[C@@H](C)O1 ZINC000303786551 685207220 /nfs/dbraw/zinc/20/72/20/685207220.db2.gz RNTFJVXAOYCNRT-CHWSQXEVSA-N 2 0 300.472 0.849 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOC[C@@H]1CCOC1 ZINC000304761833 685211632 /nfs/dbraw/zinc/21/16/32/685211632.db2.gz UYSGLZSNGIUSKL-GJZGRUSLSA-N 2 0 312.458 0.818 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)CN1CCOCC1 ZINC000304741357 685212140 /nfs/dbraw/zinc/21/21/40/685212140.db2.gz CBDJKTVQQZYJAP-LSDHHAIUSA-N 2 0 311.474 0.343 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC(=C)C)C[C@@H]2O)CC1 ZINC000958724590 687877332 /nfs/dbraw/zinc/87/73/32/687877332.db2.gz QMQMDYXJNNMNSC-SJORKVTESA-N 2 0 319.449 0.317 20 30 DCEDRP C=CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000958729880 687882849 /nfs/dbraw/zinc/88/28/49/687882849.db2.gz YZLJVMGIMVKFFU-WBVHZDCISA-N 2 0 317.433 0.957 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2C[C@H](CC)OC)CC1 ZINC001039042866 694284510 /nfs/dbraw/zinc/28/45/10/694284510.db2.gz YHPRRXATQMMBQM-SJORKVTESA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](C(C)C)CCCO2)CC1 ZINC001073899068 694798528 /nfs/dbraw/zinc/79/85/28/694798528.db2.gz KONLYOBXERQSDL-KRWDZBQOSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC#CC)C[C@H]32)CC1 ZINC001076605469 695032293 /nfs/dbraw/zinc/03/22/93/695032293.db2.gz BPFKXTQFXXINCL-ZWKOTPCHSA-N 2 0 313.445 0.888 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001570952547 1162653689 /nfs/dbraw/zinc/65/36/89/1162653689.db2.gz OSVHZNHFALSLBB-OSYLJGHBSA-N 2 0 319.449 0.272 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001571545484 1162802541 /nfs/dbraw/zinc/80/25/41/1162802541.db2.gz CFXCSNFQPYESEX-CABCVRRESA-N 2 0 307.438 0.605 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]C[C@H]2CCCOC2)CC1 ZINC001772517043 1157408709 /nfs/dbraw/zinc/40/87/09/1157408709.db2.gz JXZHYMSTFFNVNJ-HZPDHXFCSA-N 2 0 321.465 0.853 20 30 DCEDRP C=CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001691106038 1157583026 /nfs/dbraw/zinc/58/30/26/1157583026.db2.gz PHZQJOHXGVAXQE-OAHLLOKOSA-N 2 0 307.438 0.865 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001691145854 1157594406 /nfs/dbraw/zinc/59/44/06/1157594406.db2.gz IWXVCPCMJHNYCY-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[N@H+]1CC=C(CNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001571698631 1162912080 /nfs/dbraw/zinc/91/20/80/1162912080.db2.gz MCWZJRGXDYTOBX-QGZVFWFLSA-N 2 0 319.449 0.726 20 30 DCEDRP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001691535294 1158317026 /nfs/dbraw/zinc/31/70/26/1158317026.db2.gz DOVILJFGADSACY-KRWDZBQOSA-N 2 0 321.465 0.637 20 30 DCEDRP C#CCC[N@@H+](C)CCOCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001691606325 1158354331 /nfs/dbraw/zinc/35/43/31/1158354331.db2.gz AUOJNZSICISURX-UHFFFAOYSA-N 2 0 307.438 0.512 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001565867438 1159917703 /nfs/dbraw/zinc/91/77/03/1159917703.db2.gz SEIRLQDGKKOHEO-BZUAXINKSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001566036068 1159950275 /nfs/dbraw/zinc/95/02/75/1159950275.db2.gz UCKLZCTZYNEQIX-CVEARBPZSA-N 2 0 309.454 0.491 20 30 DCEDRP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+](CC#CCOC)CC1 ZINC001566613840 1160092656 /nfs/dbraw/zinc/09/26/56/1160092656.db2.gz RGVUWUPNVMFZIB-UHFFFAOYSA-N 2 0 309.454 0.901 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001566890459 1160177826 /nfs/dbraw/zinc/17/78/26/1160177826.db2.gz RRFPJILZMWLISF-GJZGRUSLSA-N 2 0 322.453 0.211 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001566965968 1160196701 /nfs/dbraw/zinc/19/67/01/1160196701.db2.gz PHDPIAXKLGUQRJ-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]C[C@H]2CC[C@@H](C)O2)CC1 ZINC001567611543 1160440966 /nfs/dbraw/zinc/44/09/66/1160440966.db2.gz LNYYCEHVUZWYBE-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001568274177 1160618540 /nfs/dbraw/zinc/61/85/40/1160618540.db2.gz SMJLMTSNNQEDAH-UKRRQHHQSA-N 2 0 322.453 0.067 20 30 DCEDRP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001569950666 1161344405 /nfs/dbraw/zinc/34/44/05/1161344405.db2.gz QKCQWFXJSIOESR-CVEARBPZSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001570285178 1161541534 /nfs/dbraw/zinc/54/15/34/1161541534.db2.gz AKJQFEQLOZZDGX-WMZOPIPTSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001570291194 1161548447 /nfs/dbraw/zinc/54/84/47/1161548447.db2.gz MPNPKZFGDAIBJN-NVXWUHKLSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CC[C@@]1(C(=O)NC2CC[NH+](C3CCOCC3)CC2)CCC[NH2+]1 ZINC001574517380 1163730219 /nfs/dbraw/zinc/73/02/19/1163730219.db2.gz NJIHSANTZNVVAB-SFHVURJKSA-N 2 0 319.449 0.892 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)c2ncoc2C2CC[NH2+]CC2)CC1 ZINC001574672493 1163739746 /nfs/dbraw/zinc/73/97/46/1163739746.db2.gz AVMYNADJKGUVPV-UHFFFAOYSA-N 2 0 316.405 0.969 20 30 DCEDRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001646149803 1172274243 /nfs/dbraw/zinc/27/42/43/1172274243.db2.gz CEOHBKHUMOTOGV-GQGDVANPSA-N 2 0 304.438 0.924 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC#CCOC)C1 ZINC001656201154 1173851284 /nfs/dbraw/zinc/85/12/84/1173851284.db2.gz QRERSSIHNHGMLZ-ULQDDVLXSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001664869287 1174468264 /nfs/dbraw/zinc/46/82/64/1174468264.db2.gz VMNCBGUXVLMEQN-QGZVFWFLSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001664946624 1174471309 /nfs/dbraw/zinc/47/13/09/1174471309.db2.gz DYQASEQRDLMDFV-KKUMJFAQSA-N 2 0 322.453 0.045 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001669981172 1174966763 /nfs/dbraw/zinc/96/67/63/1174966763.db2.gz NXVARDYLIRVHBZ-IAGOWNOFSA-N 2 0 321.465 0.997 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](CC[NH2+]C[C@@H](C)O)C2)CC1 ZINC001672914994 1175161128 /nfs/dbraw/zinc/16/11/28/1175161128.db2.gz CHKWKRWBMWYKCO-CVEARBPZSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001673700454 1175225964 /nfs/dbraw/zinc/22/59/64/1175225964.db2.gz XWKSUDJEGGLLSI-NVXWUHKLSA-N 2 0 307.438 0.295 20 30 DCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001674085194 1175251489 /nfs/dbraw/zinc/25/14/89/1175251489.db2.gz MEJDHFDQOAURQX-UHFFFAOYSA-N 2 0 307.438 0.744 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001676423835 1175445140 /nfs/dbraw/zinc/44/51/40/1175445140.db2.gz KJPKOGYGRDNUBH-KGLIPLIRSA-N 2 0 310.442 0.067 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001677004322 1175512676 /nfs/dbraw/zinc/51/26/76/1175512676.db2.gz SMBNQOTYNHPMRA-HZPDHXFCSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC1(C)C ZINC001677043722 1175514622 /nfs/dbraw/zinc/51/46/22/1175514622.db2.gz UMBJIMOOVPWEOH-AWEZNQCLSA-N 2 0 324.469 0.455 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001688900419 1176650922 /nfs/dbraw/zinc/65/09/22/1176650922.db2.gz JDJMPWLAPSQVQA-KBXIAJHMSA-N 2 0 322.453 0.256 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001688900420 1176651273 /nfs/dbraw/zinc/65/12/73/1176651273.db2.gz JDJMPWLAPSQVQA-XQLPTFJDSA-N 2 0 322.453 0.256 20 30 DCEDRP C=CCNC(=O)C[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001689834654 1177085068 /nfs/dbraw/zinc/08/50/68/1177085068.db2.gz SEDKLGWMZGQVKG-UHFFFAOYSA-N 2 0 310.442 0.069 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001690027242 1177145675 /nfs/dbraw/zinc/14/56/75/1177145675.db2.gz FDPCQBAPEAVISD-AWEZNQCLSA-N 2 0 324.469 0.552 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001690628485 1177286817 /nfs/dbraw/zinc/28/68/17/1177286817.db2.gz OHTACZVPUHAZFF-HOTGVXAUSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2conc2C)CC1 ZINC001690650222 1177295284 /nfs/dbraw/zinc/29/52/84/1177295284.db2.gz HOVOJCOZBWXQSC-ZDUSSCGKSA-N 2 0 318.421 0.923 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001692221478 1177449522 /nfs/dbraw/zinc/44/95/22/1177449522.db2.gz QSEGMHKSCSGPQD-PMPSAXMXSA-N 2 0 307.438 0.557 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001692232815 1177452864 /nfs/dbraw/zinc/45/28/64/1177452864.db2.gz XIDBRHUYYHBHTA-XHSDSOJGSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001698931131 1177727329 /nfs/dbraw/zinc/72/73/29/1177727329.db2.gz GJWDXIBZMJSAJJ-HOTGVXAUSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001699047438 1177796337 /nfs/dbraw/zinc/79/63/37/1177796337.db2.gz LKHTWXRLFIGPOA-NVXWUHKLSA-N 2 0 321.465 0.731 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([C@@H](C)[NH2+]CCOC)C2)CC1 ZINC001699956764 1178396356 /nfs/dbraw/zinc/39/63/56/1178396356.db2.gz RHCPIUCOODMJAM-WBVHZDCISA-N 2 0 321.465 0.805 20 30 DCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001699971386 1178402562 /nfs/dbraw/zinc/40/25/62/1178402562.db2.gz PKKCCWJUIBPBGF-CABCVRRESA-N 2 0 319.453 0.928 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC001700159554 1178506837 /nfs/dbraw/zinc/50/68/37/1178506837.db2.gz IFVDTPDVJIYPMS-HRCADAONSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001700231961 1178542795 /nfs/dbraw/zinc/54/27/95/1178542795.db2.gz KLBIWUXUTHWGMQ-RDJZCZTQSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CC[NH+]1CCC(CO)(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001700342628 1178587908 /nfs/dbraw/zinc/58/79/08/1178587908.db2.gz XDOFSCRGSLSMPJ-UHFFFAOYSA-N 2 0 309.454 0.992 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001700610717 1178679486 /nfs/dbraw/zinc/67/94/86/1178679486.db2.gz NIUUYTSSYMJGOY-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001700762382 1178733261 /nfs/dbraw/zinc/73/32/61/1178733261.db2.gz WSYHSUNZHJZOAY-AWEZNQCLSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CCOCC)CC1 ZINC001700781723 1178739963 /nfs/dbraw/zinc/73/99/63/1178739963.db2.gz ZLCLFPMZCSQAOT-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCC[NH2+][C@H](CO)CNC(=O)c1sccc1C[NH+](C)C ZINC001700790727 1178746263 /nfs/dbraw/zinc/74/62/63/1178746263.db2.gz LBWYXAOHOGRYIC-ZDUSSCGKSA-N 2 0 309.435 0.513 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[NH2+]CC2CCC2)CC1 ZINC001700982028 1178858871 /nfs/dbraw/zinc/85/88/71/1178858871.db2.gz WYTKUOCKUNAIID-KRWDZBQOSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CC[NH2+][C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)C1CC1 ZINC001713108525 1180684774 /nfs/dbraw/zinc/68/47/74/1180684774.db2.gz MJDJFQKVAQAGNY-HNNXBMFYSA-N 2 0 303.410 0.176 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001713134870 1180691871 /nfs/dbraw/zinc/69/18/71/1180691871.db2.gz WJTYBGRNEBFQSJ-INIZCTEOSA-N 2 0 309.454 0.758 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001713293509 1180754122 /nfs/dbraw/zinc/75/41/22/1180754122.db2.gz ZNZVZQYOPBVGMP-NFOMZHRRSA-N 2 0 322.453 0.257 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001713321449 1180767964 /nfs/dbraw/zinc/76/79/64/1180767964.db2.gz PFIPBLMLNMNNDI-CVEARBPZSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]C[C@@H](C)O)C2)CC1 ZINC001713364061 1180786762 /nfs/dbraw/zinc/78/67/62/1180786762.db2.gz HOWTUOBQVNNSMH-CABCVRRESA-N 2 0 307.438 0.151 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)C[C@H](C)OC)CC1 ZINC001713497118 1180871386 /nfs/dbraw/zinc/87/13/86/1180871386.db2.gz DVNRSZXCHZWNQS-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001713873831 1181124393 /nfs/dbraw/zinc/12/43/93/1181124393.db2.gz CKUGWGHFKCFZTR-OAHLLOKOSA-N 2 0 307.438 0.462 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001714093208 1181240512 /nfs/dbraw/zinc/24/05/12/1181240512.db2.gz CMHLFNSGBLXORH-LSDHHAIUSA-N 2 0 322.453 0.069 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001714610993 1181440244 /nfs/dbraw/zinc/44/02/44/1181440244.db2.gz VPHVZARVOOEKQA-JKSUJKDBSA-N 2 0 309.454 0.946 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001714668395 1181467838 /nfs/dbraw/zinc/46/78/38/1181467838.db2.gz CWKJNPFLQFPVPA-ZIAGYGMSSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001715073930 1181682579 /nfs/dbraw/zinc/68/25/79/1181682579.db2.gz STSIBPPBNJQATA-AWEZNQCLSA-N 2 0 310.442 0.115 20 30 DCEDRP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001715333482 1181777097 /nfs/dbraw/zinc/77/70/97/1181777097.db2.gz UNXKTQQTTHDYCB-CQSZACIVSA-N 2 0 305.426 0.518 20 30 DCEDRP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001715714983 1181953349 /nfs/dbraw/zinc/95/33/49/1181953349.db2.gz OSHXXPWUOPJISL-LSDHHAIUSA-N 2 0 322.453 0.095 20 30 DCEDRP COCC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001715832796 1182038087 /nfs/dbraw/zinc/03/80/87/1182038087.db2.gz JYJIWJBSYLLIFC-DSLCMKTCSA-N 2 0 319.449 0.915 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001716224382 1182265080 /nfs/dbraw/zinc/26/50/80/1182265080.db2.gz DPWONVOYVACYCA-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001716920538 1182574075 /nfs/dbraw/zinc/57/40/75/1182574075.db2.gz XRXHEHWDGKVYQR-FUHWJXTLSA-N 2 0 319.449 0.580 20 30 DCEDRP COCC#CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001717014550 1182622571 /nfs/dbraw/zinc/62/25/71/1182622571.db2.gz WQRZEDPNVVIUTO-IYBDPMFKSA-N 2 0 305.422 0.122 20 30 DCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001717353147 1182797368 /nfs/dbraw/zinc/79/73/68/1182797368.db2.gz CPIZHUJPWWYLBT-AWEZNQCLSA-N 2 0 318.421 0.555 20 30 DCEDRP CC#CC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001717520271 1182879181 /nfs/dbraw/zinc/87/91/81/1182879181.db2.gz HSSJCBIQIRRWHY-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001717939738 1183077231 /nfs/dbraw/zinc/07/72/31/1183077231.db2.gz NGPLCZKXSXETFQ-INIZCTEOSA-N 2 0 321.465 0.637 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001723514531 1184321797 /nfs/dbraw/zinc/32/17/97/1184321797.db2.gz HVHLXAOAWBGVKN-AWEZNQCLSA-N 2 0 322.453 0.400 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#CCOC)C[C@H]1C ZINC001723874544 1184357411 /nfs/dbraw/zinc/35/74/11/1184357411.db2.gz LTGZHZJFIVATLX-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001724401194 1184432573 /nfs/dbraw/zinc/43/25/73/1184432573.db2.gz IZGHMFAMBFXFDM-SFHVURJKSA-N 2 0 319.449 0.439 20 30 DCEDRP C=CC[N@H+]1CC[C@@](O)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001724430634 1184441251 /nfs/dbraw/zinc/44/12/51/1184441251.db2.gz QDNOKWXCACIEEV-QGZVFWFLSA-N 2 0 309.454 0.992 20 30 DCEDRP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001724552657 1184462635 /nfs/dbraw/zinc/46/26/35/1184462635.db2.gz DVHZFIYHNIOXLC-HOTGVXAUSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C2(CNC(=O)CC[NH+](C)C)CCC2)C1=O ZINC001724794682 1184558225 /nfs/dbraw/zinc/55/82/25/1184558225.db2.gz XWBULHUKZUPINZ-AWEZNQCLSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001724901931 1184610440 /nfs/dbraw/zinc/61/04/40/1184610440.db2.gz GVUMCJXKCLGHIW-AEFFLSMTSA-N 2 0 319.449 0.295 20 30 DCEDRP C=CCC[C@H](C)[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001725206965 1184724795 /nfs/dbraw/zinc/72/47/95/1184724795.db2.gz GAMQMWHOBABPJW-GJZGRUSLSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CC#CCOC)CC1 ZINC001725519857 1184855158 /nfs/dbraw/zinc/85/51/58/1184855158.db2.gz BTHQKOGKVKUBCK-INIZCTEOSA-N 2 0 319.449 0.418 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001731390572 1185313720 /nfs/dbraw/zinc/31/37/20/1185313720.db2.gz ADCVOVJNZKVQKD-IAGOWNOFSA-N 2 0 319.449 0.462 20 30 DCEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001731508662 1185367661 /nfs/dbraw/zinc/36/76/61/1185367661.db2.gz OXUPUUJIVCPKNB-DLBZAZTESA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001731508663 1185368152 /nfs/dbraw/zinc/36/81/52/1185368152.db2.gz OXUPUUJIVCPKNB-IAGOWNOFSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCn2cccn2)CC1 ZINC001731640304 1185423296 /nfs/dbraw/zinc/42/32/96/1185423296.db2.gz MFWQOFVMJFYKMJ-HNNXBMFYSA-N 2 0 317.437 0.323 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CC[C@H]2CCCO2)CC1 ZINC001731640930 1185423862 /nfs/dbraw/zinc/42/38/62/1185423862.db2.gz QMVOCJJDMBNICB-DOTOQJQBSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)CN(CCNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001731877891 1185544970 /nfs/dbraw/zinc/54/49/70/1185544970.db2.gz OCSUUNYGZRZROM-OAHLLOKOSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CCn2cccn2)CC1 ZINC001731987263 1185627253 /nfs/dbraw/zinc/62/72/53/1185627253.db2.gz DBXXWORWMVMAJU-UHFFFAOYSA-N 2 0 317.437 0.276 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001732419353 1185809548 /nfs/dbraw/zinc/80/95/48/1185809548.db2.gz LRJLSOVWFUUKSI-GJZGRUSLSA-N 2 0 324.469 0.598 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CCOCC=C)CC1 ZINC001733237888 1186197114 /nfs/dbraw/zinc/19/71/14/1186197114.db2.gz QBJLLYGYHYCGJK-QGZVFWFLSA-N 2 0 319.449 0.725 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001733342217 1186234371 /nfs/dbraw/zinc/23/43/71/1186234371.db2.gz PGZPAGAPOPHJCM-AWEZNQCLSA-N 2 0 303.410 0.272 20 30 DCEDRP C#CCN(C(=O)CC[N@@H+](C)CC)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001733373793 1186245099 /nfs/dbraw/zinc/24/50/99/1186245099.db2.gz JUQVUZDMPQSLDE-OAHLLOKOSA-N 2 0 309.454 0.635 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001733481154 1186288242 /nfs/dbraw/zinc/28/82/42/1186288242.db2.gz ZPOHJYILAXYGGS-DOTOQJQBSA-N 2 0 307.438 0.457 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001733822547 1186462239 /nfs/dbraw/zinc/46/22/39/1186462239.db2.gz MHGYURKGXWPSQT-KRWDZBQOSA-N 2 0 305.422 0.049 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001734347586 1186620285 /nfs/dbraw/zinc/62/02/85/1186620285.db2.gz SUXAHSWJOZJHEA-AWEZNQCLSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001734482089 1186663353 /nfs/dbraw/zinc/66/33/53/1186663353.db2.gz HWYFUWIAJQTMDJ-ZBFHGGJFSA-N 2 0 317.437 0.566 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC001734494700 1186666464 /nfs/dbraw/zinc/66/64/64/1186666464.db2.gz JMPOPRIMAUGQHZ-HNNXBMFYSA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001734520579 1186674242 /nfs/dbraw/zinc/67/42/42/1186674242.db2.gz BZWVRMGVLKSEHG-OAHLLOKOSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCOCC)C2)CC1 ZINC001752774984 1188438804 /nfs/dbraw/zinc/43/88/04/1188438804.db2.gz CPEFBJNIGBQTPE-IYBDPMFKSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001752790408 1188441420 /nfs/dbraw/zinc/44/14/20/1188441420.db2.gz XXHREWLKOXRJPF-CVEARBPZSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C)C1=O ZINC001752921486 1188462392 /nfs/dbraw/zinc/46/23/92/1188462392.db2.gz SKYWHRNETBIVAB-ZIAGYGMSSA-N 2 0 310.442 0.208 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001752997824 1188475370 /nfs/dbraw/zinc/47/53/70/1188475370.db2.gz YEMVYAKPPBERFT-KRWDZBQOSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001753340167 1188567454 /nfs/dbraw/zinc/56/74/54/1188567454.db2.gz ZAMPSWVHIKABLC-JKSUJKDBSA-N 2 0 307.438 0.416 20 30 DCEDRP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001753917884 1188681536 /nfs/dbraw/zinc/68/15/36/1188681536.db2.gz PKZREMVXJQGCJQ-CQSZACIVSA-N 2 0 302.378 0.899 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+][C@H](C)COC)CC1 ZINC001754025083 1188713666 /nfs/dbraw/zinc/71/36/66/1188713666.db2.gz DMPLTKUDMSJZKY-HUUCEWRRSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001754414323 1188849684 /nfs/dbraw/zinc/84/96/84/1188849684.db2.gz ZZKCACFMTDBPLG-ZIAGYGMSSA-N 2 0 310.442 0.067 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001754568510 1188881366 /nfs/dbraw/zinc/88/13/66/1188881366.db2.gz FYXVXJUKMRQETB-SFHVURJKSA-N 2 0 319.449 0.656 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)CCc2cncn2C)C1 ZINC001754758991 1188924885 /nfs/dbraw/zinc/92/48/85/1188924885.db2.gz GYAOJWPVPQFLDJ-INIZCTEOSA-N 2 0 306.410 0.482 20 30 DCEDRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CC#CCOC)C2 ZINC001754784033 1188935798 /nfs/dbraw/zinc/93/57/98/1188935798.db2.gz WYFIPOADCRUCFO-BBWFWOEESA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001755570060 1189149900 /nfs/dbraw/zinc/14/99/00/1189149900.db2.gz TXVKKVFKGBFXSE-MRXNPFEDSA-N 2 0 317.437 0.518 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001755663536 1189178142 /nfs/dbraw/zinc/17/81/42/1189178142.db2.gz LUYOHORMBBELJY-HUUCEWRRSA-N 2 0 305.422 0.311 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001771872861 1190537494 /nfs/dbraw/zinc/53/74/94/1190537494.db2.gz HHGOBVFYABHGPM-MPYGWLSYSA-N 2 0 302.422 0.773 20 30 DCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001124873210 751728875 /nfs/dbraw/zinc/72/88/75/751728875.db2.gz SIXWEYVLTJNHHJ-OAHLLOKOSA-N 2 0 304.369 0.997 20 30 DCEDRP C#CCC[NH+](CCO)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001098532970 747020997 /nfs/dbraw/zinc/02/09/97/747020997.db2.gz NBBNJRMWJDUMHS-INIZCTEOSA-N 2 0 321.465 0.637 20 30 DCEDRP CC#CC[NH+](CCO)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001098540470 747111033 /nfs/dbraw/zinc/11/10/33/747111033.db2.gz NMMQBVRRDLXAHD-UHFFFAOYSA-N 2 0 309.454 0.637 20 30 DCEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001098570845 747435459 /nfs/dbraw/zinc/43/54/59/747435459.db2.gz IOWHIBARARYMCY-HZPDHXFCSA-N 2 0 321.465 0.778 20 30 DCEDRP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3ccnc3C)[C@H]2C1 ZINC001083275910 747725495 /nfs/dbraw/zinc/72/54/95/747725495.db2.gz CCOBUXJOFMMTKX-LSDHHAIUSA-N 2 0 302.378 0.126 20 30 DCEDRP C=C(Cl)C[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168042720 749168213 /nfs/dbraw/zinc/16/82/13/749168213.db2.gz BCBDPDSIVKLPEB-UHFFFAOYSA-N 2 0 313.833 0.907 20 30 DCEDRP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(CC)CCO3)C[C@@H]2C1 ZINC001088208319 749290074 /nfs/dbraw/zinc/29/00/74/749290074.db2.gz UZHQHMYWTDXBKO-IKGGRYGDSA-N 2 0 319.449 0.511 20 30 DCEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001088427216 749436779 /nfs/dbraw/zinc/43/67/79/749436779.db2.gz PTXGYFFHASVVQG-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+]CC1(CCNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001168154094 749521250 /nfs/dbraw/zinc/52/12/50/749521250.db2.gz SKPKIOADPYBRQO-OAHLLOKOSA-N 2 0 307.438 0.464 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105945294 750595661 /nfs/dbraw/zinc/59/56/61/750595661.db2.gz SDOANFUUVKFYDF-KFWWJZLASA-N 2 0 322.453 0.067 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001106149415 750986378 /nfs/dbraw/zinc/98/63/78/750986378.db2.gz JQXWXCAUXDVEQP-QBPKDAKJSA-N 2 0 321.465 0.661 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874644 751335830 /nfs/dbraw/zinc/33/58/30/751335830.db2.gz OFPSHDRBABCKFM-BRWVUGGUSA-N 2 0 321.465 0.662 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](C[C@H]3CCOC3)C2)CC1 ZINC001044335280 752696163 /nfs/dbraw/zinc/69/61/63/752696163.db2.gz GKQAIDBWMHFIQQ-OAHLLOKOSA-N 2 0 319.449 0.511 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001078224598 753129468 /nfs/dbraw/zinc/12/94/68/753129468.db2.gz PNNKRESLKJYMSH-IAGOWNOFSA-N 2 0 315.417 0.546 20 30 DCEDRP C#CC[NH+]1CCC(C)(NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001045584168 753248923 /nfs/dbraw/zinc/24/89/23/753248923.db2.gz PYENFPQZVDRLHB-UHFFFAOYSA-N 2 0 317.437 0.662 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001046035405 753438950 /nfs/dbraw/zinc/43/89/50/753438950.db2.gz LDMGQAQNYIFFKV-SJORKVTESA-N 2 0 320.481 0.731 20 30 DCEDRP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001046035460 753439560 /nfs/dbraw/zinc/43/95/60/753439560.db2.gz METLLYYFZNCSLW-INIZCTEOSA-N 2 0 320.481 0.875 20 30 DCEDRP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001046038313 753441625 /nfs/dbraw/zinc/44/16/25/753441625.db2.gz KEQVIEOQIREKHB-JKSUJKDBSA-N 2 0 308.470 0.731 20 30 DCEDRP C#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC001046064023 753457335 /nfs/dbraw/zinc/45/73/35/753457335.db2.gz CLHRKETVKXWEEO-SJORKVTESA-N 2 0 318.465 0.322 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001128551527 754085382 /nfs/dbraw/zinc/08/53/82/754085382.db2.gz DMAOXBWXTRZISO-CHWSQXEVSA-N 2 0 316.421 0.063 20 30 DCEDRP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001047424134 754269785 /nfs/dbraw/zinc/26/97/85/754269785.db2.gz ACHNZJDNCAPOTO-HOTGVXAUSA-N 2 0 321.465 0.942 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001128782778 754282345 /nfs/dbraw/zinc/28/23/45/754282345.db2.gz BRGOJRJFNAYGAL-KGLIPLIRSA-N 2 0 310.442 0.257 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](O)C1 ZINC001090260642 754821932 /nfs/dbraw/zinc/82/19/32/754821932.db2.gz IVHWHFOYJLBUJY-HZPDHXFCSA-N 2 0 321.465 0.826 20 30 DCEDRP C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001090261122 754825332 /nfs/dbraw/zinc/82/53/32/754825332.db2.gz MPBUKKMRKBBYTK-GJZGRUSLSA-N 2 0 309.454 0.988 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCO)C2)CC1 ZINC001072095015 762352894 /nfs/dbraw/zinc/35/28/94/762352894.db2.gz DZJDDCHFCOTPED-GDBMZVCRSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCO)CC1 ZINC001049921507 755448013 /nfs/dbraw/zinc/44/80/13/755448013.db2.gz WSMTXAJMSZIFJO-IAGOWNOFSA-N 2 0 319.449 0.389 20 30 DCEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001082923725 757331764 /nfs/dbraw/zinc/33/17/64/757331764.db2.gz ZCWFKVCTAJWRIS-BZUAXINKSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@H](C)O)C2)CC1 ZINC001082941523 757339445 /nfs/dbraw/zinc/33/94/45/757339445.db2.gz VMRHGEBDGUEOSC-IJEWVQPXSA-N 2 0 307.438 0.149 20 30 DCEDRP C[NH+](C)CCOCC(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001147841289 767857505 /nfs/dbraw/zinc/85/75/05/767857505.db2.gz CYNVIWFLPNGZDY-UHFFFAOYSA-N 2 0 322.384 0.481 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001086088925 759700613 /nfs/dbraw/zinc/70/06/13/759700613.db2.gz YDYYFGVTXMBMKO-OKILXGFUSA-N 2 0 303.410 0.176 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100124446 760437393 /nfs/dbraw/zinc/43/73/93/760437393.db2.gz IDTDMWYTOINXKR-HZPDHXFCSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169134280 760590753 /nfs/dbraw/zinc/59/07/53/760590753.db2.gz GWMCGXNQAKLPME-OAHLLOKOSA-N 2 0 324.469 0.505 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001070505852 761281145 /nfs/dbraw/zinc/28/11/45/761281145.db2.gz LTNWURYYWQELNR-NUEKZKHPSA-N 2 0 319.453 0.830 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC#CCOC)C2 ZINC001148651998 768024427 /nfs/dbraw/zinc/02/44/27/768024427.db2.gz VOBHRCPDAIVBAG-UHFFFAOYSA-N 2 0 307.438 0.512 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)CC[NH+](C)C)C[C@@H](C)O2 ZINC001111549408 761413524 /nfs/dbraw/zinc/41/35/24/761413524.db2.gz QGARMANSMYRHEB-OAHLLOKOSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001123694273 768045464 /nfs/dbraw/zinc/04/54/64/768045464.db2.gz JCBPQDGGQBUXDC-HOCLYGCPSA-N 2 0 321.469 0.018 20 30 DCEDRP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@@H](C)O2 ZINC001071228430 761724188 /nfs/dbraw/zinc/72/41/88/761724188.db2.gz UPOOMACJGUQZHJ-CRAIPNDOSA-N 2 0 317.433 0.407 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129449873 762938105 /nfs/dbraw/zinc/93/81/05/762938105.db2.gz QUFMOLAVYSLQAA-MRXNPFEDSA-N 2 0 322.453 0.233 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129856201 763026798 /nfs/dbraw/zinc/02/67/98/763026798.db2.gz OGBJCLWUJQNZFL-KGLIPLIRSA-N 2 0 310.442 0.257 20 30 DCEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100013312 763217071 /nfs/dbraw/zinc/21/70/71/763217071.db2.gz LGDDIQPATHVBCW-LSDHHAIUSA-N 2 0 309.454 0.539 20 30 DCEDRP COCC#CC[NH2+]CCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130556610 763381791 /nfs/dbraw/zinc/38/17/91/763381791.db2.gz PADDYVFGMITFSF-UHFFFAOYSA-N 2 0 304.394 0.264 20 30 DCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131067986 763627844 /nfs/dbraw/zinc/62/78/44/763627844.db2.gz GEDJSUHKWKJOJU-HUUCEWRRSA-N 2 0 317.437 0.279 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1c1cncn1C ZINC001131115738 763651692 /nfs/dbraw/zinc/65/16/92/763651692.db2.gz YHRCBOBCJACJCZ-HUUCEWRRSA-N 2 0 319.453 0.832 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC#CCOC)C1 ZINC001101035908 763930760 /nfs/dbraw/zinc/93/07/60/763930760.db2.gz DMCVRXRBSHWUSY-JCYILVPMSA-N 2 0 321.465 0.995 20 30 DCEDRP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432213 764094700 /nfs/dbraw/zinc/09/47/00/764094700.db2.gz HTZTVNVCXOJTNI-WBVHZDCISA-N 2 0 309.454 0.921 20 30 DCEDRP C=CC[NH+](CCO)C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001098478760 764324721 /nfs/dbraw/zinc/32/47/21/764324721.db2.gz CJAIKGOHQRQGPT-OAHLLOKOSA-N 2 0 309.454 0.942 20 30 DCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102489160 764663939 /nfs/dbraw/zinc/66/39/39/764663939.db2.gz VYIKGZZTWNSOGO-HUUCEWRRSA-N 2 0 307.438 0.415 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1=O ZINC001132886327 764707562 /nfs/dbraw/zinc/70/75/62/764707562.db2.gz JKWLVPBZSUXYKZ-KKUMJFAQSA-N 2 0 322.453 0.209 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132994862 764781878 /nfs/dbraw/zinc/78/18/78/764781878.db2.gz FHIFXUBJNDAKMU-UHFFFAOYSA-N 2 0 322.453 0.235 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001133242530 764889319 /nfs/dbraw/zinc/88/93/19/764889319.db2.gz UHRAVPBCOQGFSB-HZPDHXFCSA-N 2 0 309.454 0.662 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001133242529 764889600 /nfs/dbraw/zinc/88/96/00/764889600.db2.gz UHRAVPBCOQGFSB-HOTGVXAUSA-N 2 0 309.454 0.662 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134613100 765590534 /nfs/dbraw/zinc/59/05/34/765590534.db2.gz SDAGUAJJMXNRSQ-LSDHHAIUSA-N 2 0 309.454 0.993 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135093862 765800228 /nfs/dbraw/zinc/80/02/28/765800228.db2.gz UJAGJHRDJHEIMQ-UONOGXRCSA-N 2 0 308.426 0.011 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135743904 766085071 /nfs/dbraw/zinc/08/50/71/766085071.db2.gz RHDAZSBXPKHJSU-KGLIPLIRSA-N 2 0 312.458 0.503 20 30 DCEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001086763200 766093253 /nfs/dbraw/zinc/09/32/53/766093253.db2.gz XPNXQESPCCPGTM-CFFMVQJASA-N 2 0 317.433 0.357 20 30 DCEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001135805310 766124741 /nfs/dbraw/zinc/12/47/41/766124741.db2.gz XPFSRNNGDPJOPD-HUUCEWRRSA-N 2 0 309.454 0.993 20 30 DCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092842834 768402630 /nfs/dbraw/zinc/40/26/30/768402630.db2.gz RMCCFSFBKZEWLP-MYPHYYIGSA-N 2 0 317.433 0.167 20 30 DCEDRP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001092910687 768414164 /nfs/dbraw/zinc/41/41/64/768414164.db2.gz IRVUMHFOJIQQKH-BRWVUGGUSA-N 2 0 321.465 0.803 20 30 DCEDRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC001151049747 769245468 /nfs/dbraw/zinc/24/54/68/769245468.db2.gz YFRJPYHQMAJQSJ-HNNXBMFYSA-N 2 0 316.405 0.746 20 30 DCEDRP C#CC[NH+]1CCC(CCOC)(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001151387516 769328592 /nfs/dbraw/zinc/32/85/92/769328592.db2.gz LTIOTXBSQGVVBQ-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP COCC#CC[NH2+]C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001203337838 769411300 /nfs/dbraw/zinc/41/13/00/769411300.db2.gz WJYBEFIMQGIXHS-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H](CCCC)C(N)=O)CC1 ZINC001152329808 769529639 /nfs/dbraw/zinc/52/96/39/769529639.db2.gz BJKWMZJRFYQCHI-HNNXBMFYSA-N 2 0 322.453 0.082 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152472030 769571822 /nfs/dbraw/zinc/57/18/22/769571822.db2.gz PRHGHYZWCXERAC-LSDHHAIUSA-N 2 0 324.469 0.503 20 30 DCEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001175664430 769941057 /nfs/dbraw/zinc/94/10/57/769941057.db2.gz WHDCNGFLXHYQKK-HNNXBMFYSA-N 2 0 319.453 0.956 20 30 DCEDRP N#Cc1cccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001236307414 769990999 /nfs/dbraw/zinc/99/09/99/769990999.db2.gz BMOBOINKCFQZBA-UHFFFAOYSA-N 2 0 303.410 0.174 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176754057 770168968 /nfs/dbraw/zinc/16/89/68/770168968.db2.gz QMDZHPQSFHPFJP-OAHLLOKOSA-N 2 0 324.469 0.341 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCCOCC)CC1 ZINC001176925965 770225639 /nfs/dbraw/zinc/22/56/39/770225639.db2.gz FJPNELUJOBDYLC-UHFFFAOYSA-N 2 0 309.454 0.854 20 30 DCEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156390456 770804235 /nfs/dbraw/zinc/80/42/35/770804235.db2.gz MWYIOJWCHJDPAQ-OAHLLOKOSA-N 2 0 315.458 0.594 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178731420 770848404 /nfs/dbraw/zinc/84/84/04/770848404.db2.gz WGOHNNLDSKBJKC-BARDWOONSA-N 2 0 322.453 0.208 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001179983403 771043531 /nfs/dbraw/zinc/04/35/31/771043531.db2.gz ZZYWXNMHUPTIKN-KBPBESRZSA-N 2 0 310.442 0.209 20 30 DCEDRP COCC#CC[NH2+]CCCCCCNC(=O)C[NH+]1CCCC1 ZINC001180274384 771091409 /nfs/dbraw/zinc/09/14/09/771091409.db2.gz AVGVMTCPBKDAMA-UHFFFAOYSA-N 2 0 309.454 0.998 20 30 DCEDRP N#Cc1ccc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)cc1F ZINC001151096826 771442203 /nfs/dbraw/zinc/44/22/03/771442203.db2.gz HAVBFMMJHPCJCL-UHFFFAOYSA-N 2 0 304.369 0.999 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001183939687 771719160 /nfs/dbraw/zinc/71/91/60/771719160.db2.gz JIEMTPYIVRRKEX-CQSZACIVSA-N 2 0 320.437 0.108 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001185084506 771865811 /nfs/dbraw/zinc/86/58/11/771865811.db2.gz KMQKDOZSTXUCFP-CVEARBPZSA-N 2 0 309.454 0.662 20 30 DCEDRP CC[NH+](CC)C[C@@H](F)C(=O)NCCC[NH2+]CC#CCOC ZINC001159155332 771867166 /nfs/dbraw/zinc/86/71/66/771867166.db2.gz MTUXBUZVUQRQTM-CQSZACIVSA-N 2 0 301.406 0.412 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001159356358 771900838 /nfs/dbraw/zinc/90/08/38/771900838.db2.gz XHSLJIACVUHISQ-CABCVRRESA-N 2 0 322.453 0.095 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001185742855 771951781 /nfs/dbraw/zinc/95/17/81/771951781.db2.gz PCVZIPXTQJXKQC-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CC12CCOCC2 ZINC001186410177 772039412 /nfs/dbraw/zinc/03/94/12/772039412.db2.gz PETLTKIZJITQKL-JKSUJKDBSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CC12CCOCC2 ZINC001186505045 772048665 /nfs/dbraw/zinc/04/86/65/772048665.db2.gz PETLTKIZJITQKL-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187231303 772150141 /nfs/dbraw/zinc/15/01/41/772150141.db2.gz ISTAGNQDPHJXNR-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001187307147 772172950 /nfs/dbraw/zinc/17/29/50/772172950.db2.gz WPJHJFKOVRXVAJ-ZIAGYGMSSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCOC(C)C)C2)CC1 ZINC001188092733 772264707 /nfs/dbraw/zinc/26/47/07/772264707.db2.gz XMDWHYLDIJPNAE-QGZVFWFLSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001190909573 772697911 /nfs/dbraw/zinc/69/79/11/772697911.db2.gz DGAXNHXBGYHXCT-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001191430621 772767169 /nfs/dbraw/zinc/76/71/69/772767169.db2.gz GGOMHZLEZIMCAE-GARNVTTQSA-N 2 0 319.449 0.958 20 30 DCEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001166815108 772863165 /nfs/dbraw/zinc/86/31/65/772863165.db2.gz ZDUMHTXPHHFLOV-MRXNPFEDSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001192425358 772916266 /nfs/dbraw/zinc/91/62/66/772916266.db2.gz GCACMCZMIVBOHQ-HOTGVXAUSA-N 2 0 307.438 0.653 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203730454 772922026 /nfs/dbraw/zinc/92/20/26/772922026.db2.gz KVWOCCHNCLOTPF-JKSUJKDBSA-N 2 0 319.449 0.749 20 30 DCEDRP CC[C@H](C(=O)N1CCC(C[NH2+]CC#CCOC)CC1)[NH+](C)C ZINC001205516252 772997611 /nfs/dbraw/zinc/99/76/11/772997611.db2.gz VOYYYENJBSQWGH-MRXNPFEDSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193462796 773066566 /nfs/dbraw/zinc/06/65/66/773066566.db2.gz PULNXJQBOWUCPS-JKSUJKDBSA-N 2 0 307.438 0.511 20 30 DCEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193765567 773113161 /nfs/dbraw/zinc/11/31/61/773113161.db2.gz BZXFTZDIXIJVRZ-RBSFLKMASA-N 2 0 309.454 0.987 20 30 DCEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001206929940 773138433 /nfs/dbraw/zinc/13/84/33/773138433.db2.gz KCJLMTQVQJVEIK-HNNXBMFYSA-N 2 0 309.454 0.969 20 30 DCEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001194026336 773140560 /nfs/dbraw/zinc/14/05/60/773140560.db2.gz CJENCOUHPZSNSR-CVEARBPZSA-N 2 0 307.438 0.511 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001208412834 773455495 /nfs/dbraw/zinc/45/54/95/773455495.db2.gz ORAYYWIHXJFDBR-LTIDMASMSA-N 2 0 321.465 0.803 20 30 DCEDRP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208434912 773460792 /nfs/dbraw/zinc/46/07/92/773460792.db2.gz ISVCZHRJWXCPIH-HUUCEWRRSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210495322 773715320 /nfs/dbraw/zinc/71/53/20/773715320.db2.gz ZANXNBJZPXAEOT-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210674339 773728303 /nfs/dbraw/zinc/72/83/03/773728303.db2.gz SRCFUCPPBHJYOO-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)CC[NH+]2CCCCC2)C1=O ZINC001152340693 773758508 /nfs/dbraw/zinc/75/85/08/773758508.db2.gz UOKSJDIULQXJPS-HNNXBMFYSA-N 2 0 322.453 0.355 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211045924 773762848 /nfs/dbraw/zinc/76/28/48/773762848.db2.gz FBSJPTBLORDIOE-OWCLPIDISA-N 2 0 307.438 0.415 20 30 DCEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001211233534 773784345 /nfs/dbraw/zinc/78/43/45/773784345.db2.gz HJKGZXXPVPOLCM-KRWDZBQOSA-N 2 0 301.434 0.936 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214968955 774029365 /nfs/dbraw/zinc/02/93/65/774029365.db2.gz FRMFTOAERJMRNA-OAGGEKHMSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219000840 774344962 /nfs/dbraw/zinc/34/49/62/774344962.db2.gz CTURORFVEJXTAK-JKSUJKDBSA-N 2 0 307.438 0.653 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200527883 774361676 /nfs/dbraw/zinc/36/16/76/774361676.db2.gz BRZQJNJOEKEMBI-SJORKVTESA-N 2 0 319.449 0.559 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)CCCO1 ZINC001200636321 774382396 /nfs/dbraw/zinc/38/23/96/774382396.db2.gz YAFUYRBFJKNZGI-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[C@H]([NH3+])C(=O)N(c1cccc(F)c1N)C1CC[NH2+]CC1 ZINC001219280899 774433413 /nfs/dbraw/zinc/43/34/13/774433413.db2.gz QGUBGXKQWYPCPU-ZDUSSCGKSA-N 2 0 304.369 0.844 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CCCO1 ZINC001201420779 774507296 /nfs/dbraw/zinc/50/72/96/774507296.db2.gz OXIMSUCBHLEWSW-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001219614015 774557859 /nfs/dbraw/zinc/55/78/59/774557859.db2.gz YQPGGXPGVLFEOP-OAGGEKHMSA-N 2 0 309.454 0.987 20 30 DCEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201870652 774569912 /nfs/dbraw/zinc/56/99/12/774569912.db2.gz BXIDGHYDURYMHG-OAHLLOKOSA-N 2 0 307.438 0.865 20 30 DCEDRP C#CC[C@]1(C(=O)NCC[C@@H]2C[NH2+]Cc3cccn3C2)CCC[NH2+]1 ZINC001219787574 774607539 /nfs/dbraw/zinc/60/75/39/774607539.db2.gz GYMPRKDNEKLJLE-CRAIPNDOSA-N 2 0 314.433 0.859 20 30 DCEDRP COCC#CC[NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001202302119 774632997 /nfs/dbraw/zinc/63/29/97/774632997.db2.gz MVPYCGFAEVWFMJ-UHFFFAOYSA-N 2 0 307.438 0.559 20 30 DCEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC(=NC#N)c1ccncc1 ZINC001219972609 774659238 /nfs/dbraw/zinc/65/92/38/774659238.db2.gz SATKHWJWIOWZRF-AWEZNQCLSA-N 2 0 316.409 0.921 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001202504643 774772258 /nfs/dbraw/zinc/77/22/58/774772258.db2.gz VEDNMIHCLOWSAK-HIFRSBDPSA-N 2 0 322.453 0.067 20 30 DCEDRP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222016441 775248173 /nfs/dbraw/zinc/24/81/73/775248173.db2.gz JVLDUHSMQQONLB-HZPDHXFCSA-N 2 0 307.438 0.818 20 30 DCEDRP CC[NH+](CC)CC(=O)N1CC[C@H]2CC[N@H+](CC#CCOC)[C@H]2C1 ZINC001223722012 775512225 /nfs/dbraw/zinc/51/22/25/775512225.db2.gz OTVLYNUOBICKDT-SJORKVTESA-N 2 0 321.465 0.901 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[NH+](CC#CCOC)[C@H]2C1 ZINC001223978204 775528290 /nfs/dbraw/zinc/52/82/90/775528290.db2.gz SYCJKGJQJWFNDR-SJORKVTESA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114745651 776094519 /nfs/dbraw/zinc/09/45/19/776094519.db2.gz CYFIFWCHXPXHBC-FICVDOATSA-N 2 0 307.438 0.577 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCO)CC1 ZINC001230251926 776269066 /nfs/dbraw/zinc/26/90/66/776269066.db2.gz QPOAOPIYTLKDGS-IAGOWNOFSA-N 2 0 321.465 0.731 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]CC#Cc1ccc(F)cc1 ZINC001278146976 945155629 /nfs/dbraw/zinc/15/56/29/945155629.db2.gz JBZHPNLPPSDMRD-INIZCTEOSA-N 2 0 321.396 0.196 20 30 DCEDRP C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001278155867 945158648 /nfs/dbraw/zinc/15/86/48/945158648.db2.gz SUDHASOPSYMNHK-ZACQAIPSSA-N 2 0 315.417 0.032 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001278292427 945210004 /nfs/dbraw/zinc/21/00/04/945210004.db2.gz FOZBMWLGYZSOBR-HIFRSBDPSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001266297866 939057884 /nfs/dbraw/zinc/05/78/84/939057884.db2.gz WFOFYKDIZWGQLJ-UHFFFAOYSA-N 2 0 320.481 0.620 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266533777 939155026 /nfs/dbraw/zinc/15/50/26/939155026.db2.gz QJYYVCWOIAFNJP-GDBMZVCRSA-N 2 0 324.469 0.313 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266802200 939240756 /nfs/dbraw/zinc/24/07/56/939240756.db2.gz XMDZDOIOKYYPBS-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001267044536 939322550 /nfs/dbraw/zinc/32/25/50/939322550.db2.gz JLJOEKSOEVNLCS-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)C[C@@H]2CC[C@H](C)O2)CC1 ZINC001267232174 939396710 /nfs/dbraw/zinc/39/67/10/939396710.db2.gz BEPBYIFBPMOABH-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001481109759 939564191 /nfs/dbraw/zinc/56/41/91/939564191.db2.gz ULHXJSKEHGKQNO-AWEZNQCLSA-N 2 0 322.453 0.069 20 30 DCEDRP CC#CC[N@H+](CCNC(=O)c1cnn(CC[NH+](C)C)c1)C1CC1 ZINC001481189376 939602052 /nfs/dbraw/zinc/60/20/52/939602052.db2.gz KYVJDTPEZCPBMW-UHFFFAOYSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC([C@H](C)[NH2+]CCO)CC2)CC1 ZINC001481343015 939754671 /nfs/dbraw/zinc/75/46/71/939754671.db2.gz LBIOCZMFIAVIKK-HNNXBMFYSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCCOC)CC1 ZINC001282239955 940025854 /nfs/dbraw/zinc/02/58/54/940025854.db2.gz AEULPRAOOIBESV-HUUCEWRRSA-N 2 0 309.454 0.851 20 30 DCEDRP CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC#CCOC)CC1)[NH+](C)C ZINC001482020775 940208440 /nfs/dbraw/zinc/20/84/40/940208440.db2.gz LLFHXIOOZIYJAO-JYJNAYRXSA-N 2 0 309.454 0.993 20 30 DCEDRP COCC#CC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268583107 940266959 /nfs/dbraw/zinc/26/69/59/940266959.db2.gz STKYHOGMJXNGBI-UDLYIEAKSA-N 2 0 307.438 0.629 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001270129836 940840821 /nfs/dbraw/zinc/84/08/21/940840821.db2.gz VDISLPPCSGJATG-HNNXBMFYSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001270193156 940852758 /nfs/dbraw/zinc/85/27/58/940852758.db2.gz HDYNKAYSQBTNSW-LSDHHAIUSA-N 2 0 324.469 0.598 20 30 DCEDRP COCC#CC[NH+]1CCC(C)(NC(=O)Cn2cncc2C)CC1 ZINC001270237640 940863506 /nfs/dbraw/zinc/86/35/06/940863506.db2.gz UGDJNHGNEPLKEN-UHFFFAOYSA-N 2 0 318.421 0.812 20 30 DCEDRP COCC#CC[NH+]1CCC(C)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001270267271 940867601 /nfs/dbraw/zinc/86/76/01/940867601.db2.gz ZQHUHGZKYSVOJV-UHFFFAOYSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCN(C(=O)C[N@@H+](C)CCC)C1CC[NH+](C[C@H](C)O)CC1 ZINC001270358563 940886875 /nfs/dbraw/zinc/88/68/75/940886875.db2.gz KTNZFMGCXOQRCK-HNNXBMFYSA-N 2 0 309.454 0.635 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCO)C1 ZINC001270737484 940977931 /nfs/dbraw/zinc/97/79/31/940977931.db2.gz NLEAUPJGRIVVJH-RDJZCZTQSA-N 2 0 307.438 0.295 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCC1 ZINC001270777704 940986948 /nfs/dbraw/zinc/98/69/48/940986948.db2.gz TUCLZAVOZWEVGR-CQSZACIVSA-N 2 0 322.453 0.401 20 30 DCEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001271954264 941490404 /nfs/dbraw/zinc/49/04/04/941490404.db2.gz UCVCILLVONUDOO-UHFFFAOYSA-N 2 0 320.481 0.734 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001482761595 941659353 /nfs/dbraw/zinc/65/93/53/941659353.db2.gz JJCNXCVBMCFLKI-SJORKVTESA-N 2 0 321.465 0.874 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CC2CC(C)C2)CC1 ZINC001482800180 941674648 /nfs/dbraw/zinc/67/46/48/941674648.db2.gz UMFIQKFQMGTLOR-VMBOVVBDSA-N 2 0 321.465 0.444 20 30 DCEDRP CCN(CC[NH2+]CC#CCOC)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482929827 941715559 /nfs/dbraw/zinc/71/55/59/941715559.db2.gz LMEBNIJOCSRZHD-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC#CCOC ZINC001496908227 942331429 /nfs/dbraw/zinc/33/14/29/942331429.db2.gz LZTWMPYKXQCACG-JKSUJKDBSA-N 2 0 309.454 0.853 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001483600195 942451864 /nfs/dbraw/zinc/45/18/64/942451864.db2.gz GBKJBSKRAKVBGY-HOTGVXAUSA-N 2 0 309.454 0.707 20 30 DCEDRP COCC#CCN1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483650674 942624423 /nfs/dbraw/zinc/62/44/23/942624423.db2.gz HSWRQXQZDFQGLZ-HOTGVXAUSA-N 2 0 305.422 0.169 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001483762804 942920659 /nfs/dbraw/zinc/92/06/59/942920659.db2.gz YNEARGZZYXRFOC-GJZGRUSLSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CCNC(=O)[C@H](C)N1CC[C@@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001484065201 943131526 /nfs/dbraw/zinc/13/15/26/943131526.db2.gz SMMAYJBQEJSPMB-WMLDXEAASA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@](C)(NC(=O)CCc2cncn2C)C1 ZINC001484069033 943136582 /nfs/dbraw/zinc/13/65/82/943136582.db2.gz ZFRFRWWJQBIDKA-KRWDZBQOSA-N 2 0 318.421 0.583 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001484854694 943601621 /nfs/dbraw/zinc/60/16/21/943601621.db2.gz WGMDXVUAQJYZHR-GOSISDBHSA-N 2 0 321.465 0.829 20 30 DCEDRP C=CCOCC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001485580279 944013329 /nfs/dbraw/zinc/01/33/29/944013329.db2.gz FMKYWOJTWYIVRY-CABCVRRESA-N 2 0 309.454 0.967 20 30 DCEDRP CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001276777567 944294972 /nfs/dbraw/zinc/29/49/72/944294972.db2.gz DREYXWSFFLPYDE-GOEBONIOSA-N 2 0 307.438 0.700 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001485938758 944421328 /nfs/dbraw/zinc/42/13/28/944421328.db2.gz SCYSDYPPYNXHOG-MRXNPFEDSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001486221532 944659969 /nfs/dbraw/zinc/65/99/69/944659969.db2.gz SVPXHMYFTJPMJW-DOTOQJQBSA-N 2 0 301.434 0.839 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001277139966 944676220 /nfs/dbraw/zinc/67/62/20/944676220.db2.gz FVNFMZDVOKGYRJ-CHWSQXEVSA-N 2 0 308.426 0.010 20 30 DCEDRP CC#CCN1CC[NH+](CCCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001316958904 944683641 /nfs/dbraw/zinc/68/36/41/944683641.db2.gz NUBINKSVGGGYQX-QGZVFWFLSA-N 2 0 320.481 0.618 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001486317235 944762809 /nfs/dbraw/zinc/76/28/09/944762809.db2.gz GIZVPNRXQKGNMW-SJORKVTESA-N 2 0 323.481 0.929 20 30 DCEDRP CC#CC[NH2+]CCC[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001277329894 944764471 /nfs/dbraw/zinc/76/44/71/944764471.db2.gz VHVQRRAOPFBHKH-HNNXBMFYSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001317178594 944837129 /nfs/dbraw/zinc/83/71/29/944837129.db2.gz CEAVEXZJYGBOGQ-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317290662 944899973 /nfs/dbraw/zinc/89/99/73/944899973.db2.gz FMAXGKJCSXMIMU-CABCVRRESA-N 2 0 324.469 0.457 20 30 DCEDRP CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC#CCOC)C1)[NH+](C)C ZINC001317374891 944945299 /nfs/dbraw/zinc/94/52/99/944945299.db2.gz GWTZMCSGWDCVJQ-JKSUJKDBSA-N 2 0 309.454 0.899 20 30 DCEDRP CN(CC#Cc1ccccc1)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001317442126 944971574 /nfs/dbraw/zinc/97/15/74/944971574.db2.gz XQRMPGBCLPWVDO-KRWDZBQOSA-N 2 0 315.417 0.417 20 30 DCEDRP N#Cc1ccc(C(=O)N2CCC([NH2+]CCNCC[NH3+])CC2)cc1 ZINC001246406158 945405396 /nfs/dbraw/zinc/40/53/96/945405396.db2.gz RLPJFMGJCDBJAB-UHFFFAOYSA-N 2 0 315.421 0.301 20 30 DCEDRP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001318789889 945444775 /nfs/dbraw/zinc/44/47/75/945444775.db2.gz PCBPFRUIBRDFAD-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001318854614 945454744 /nfs/dbraw/zinc/45/47/44/945454744.db2.gz KTINEXLTFQBFIZ-SJORKVTESA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001318979950 945474909 /nfs/dbraw/zinc/47/49/09/945474909.db2.gz YCVXRPVPRPPHDH-WKILWMFISA-N 2 0 319.449 0.749 20 30 DCEDRP N#Cc1ccc(C(=O)N2CCC(N(CC[NH3+])CC[NH3+])CC2)cc1 ZINC001246829403 945499281 /nfs/dbraw/zinc/49/92/81/945499281.db2.gz FWZYQTCIJDKSOA-UHFFFAOYSA-N 2 0 315.421 0.382 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001278565138 945658871 /nfs/dbraw/zinc/65/88/71/945658871.db2.gz MUSCRKZBFNSQJA-CABCVRRESA-N 2 0 317.437 0.566 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001273180580 945678847 /nfs/dbraw/zinc/67/88/47/945678847.db2.gz SWCRCQMLPSICJK-AWEZNQCLSA-N 2 0 322.453 0.259 20 30 DCEDRP C#CCOC[C@H](O)C[NH2+]CC1CC[NH+](Cc2ccccn2)CC1 ZINC001251897221 945811396 /nfs/dbraw/zinc/81/13/96/945811396.db2.gz VUDXZUKIFGFEAE-GOSISDBHSA-N 2 0 317.433 0.894 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]C[C@H](C)OC)CC1 ZINC001273205015 945827360 /nfs/dbraw/zinc/82/73/60/945827360.db2.gz RDEDPXPZKQCAIQ-GJZGRUSLSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001273298028 946445573 /nfs/dbraw/zinc/44/55/73/946445573.db2.gz HDJVPRADKTXJFO-ZIAGYGMSSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001273299521 946449802 /nfs/dbraw/zinc/44/98/02/946449802.db2.gz DZGNJKMAJZEWDA-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2nccn2C)CC1 ZINC001322088051 946572521 /nfs/dbraw/zinc/57/25/21/946572521.db2.gz LIJKITPTPBRMOH-AWEZNQCLSA-N 2 0 317.437 0.360 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CCO1 ZINC001273323481 946629449 /nfs/dbraw/zinc/62/94/49/946629449.db2.gz NTGQRILVGFPVHE-JKSUJKDBSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001322260419 946630709 /nfs/dbraw/zinc/63/07/09/946630709.db2.gz ABTUYLBZGITBHV-CQSZACIVSA-N 2 0 305.426 0.518 20 30 DCEDRP C=CCOCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001325450990 947798771 /nfs/dbraw/zinc/79/87/71/947798771.db2.gz TUBKQAFVRJQAAC-UONOGXRCSA-N 2 0 306.410 0.981 20 30 DCEDRP CC#CC[NH2+]C1CCN(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001325806437 947929875 /nfs/dbraw/zinc/92/98/75/947929875.db2.gz YKFWZVKNUNUBML-INIZCTEOSA-N 2 0 320.481 0.522 20 30 DCEDRP C=CCCC[N@H+]1CCC[C@@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001325864786 947958393 /nfs/dbraw/zinc/95/83/93/947958393.db2.gz IGKSESXTXJKCCO-GOSISDBHSA-N 2 0 321.465 0.992 20 30 DCEDRP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001327577225 948557396 /nfs/dbraw/zinc/55/73/96/948557396.db2.gz LLPFYQLDSFOSEF-DOTOQJQBSA-N 2 0 309.454 0.990 20 30 DCEDRP C=C[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(CCn3ccnc3)C2=O)C1 ZINC001273885802 948655483 /nfs/dbraw/zinc/65/54/83/948655483.db2.gz SBDVGLQRYOLVQB-GDBMZVCRSA-N 2 0 304.394 0.354 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001327933813 948668393 /nfs/dbraw/zinc/66/83/93/948668393.db2.gz ZVLQOEKXJBSWSB-INIZCTEOSA-N 2 0 305.422 0.359 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1CC ZINC001264070144 948859973 /nfs/dbraw/zinc/85/99/73/948859973.db2.gz KLVGUTJRRCGIRL-IXDOHACOSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001264421816 948970215 /nfs/dbraw/zinc/97/02/15/948970215.db2.gz VAYHGJYKSVEYDV-KLHDSHLOSA-N 2 0 307.438 0.461 20 30 DCEDRP C=CCC[NH+]1CCN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001265265177 949516275 /nfs/dbraw/zinc/51/62/75/949516275.db2.gz RQEJWCPDQKKVGL-MRXNPFEDSA-N 2 0 310.486 0.883 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2cncn2C1 ZINC001329473976 949624356 /nfs/dbraw/zinc/62/43/56/949624356.db2.gz GHSAJCYHDDSAQM-GJZGRUSLSA-N 2 0 318.421 0.532 20 30 DCEDRP CCCC[C@@H](C[NH2+]CC#CCOC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001329900785 949958282 /nfs/dbraw/zinc/95/82/82/949958282.db2.gz MHLYYHVBVYVKGG-HOTGVXAUSA-N 2 0 309.454 0.853 20 30 DCEDRP CCCC[C@H](C[NH2+]CC#CCOC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001329900788 949958749 /nfs/dbraw/zinc/95/87/49/949958749.db2.gz MHLYYHVBVYVKGG-JKSUJKDBSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CCOCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001330274267 950241959 /nfs/dbraw/zinc/24/19/59/950241959.db2.gz GJNWOPRZEWOIOW-JONQDZQNSA-N 2 0 307.438 0.577 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001330275922 950242770 /nfs/dbraw/zinc/24/27/70/950242770.db2.gz MIVBEOHVAFWZAF-LVQVYYBASA-N 2 0 305.422 0.024 20 30 DCEDRP CC[N@@H+](CC#CCOC)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266042460 950294721 /nfs/dbraw/zinc/29/47/21/950294721.db2.gz CASATWQPHMJPKW-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001266154790 950423010 /nfs/dbraw/zinc/42/30/10/950423010.db2.gz FZPPPXWJARXAQA-ZIAGYGMSSA-N 2 0 310.442 0.257 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001490467293 950709641 /nfs/dbraw/zinc/70/96/41/950709641.db2.gz PZUXYWPTNIQJPF-DLBZAZTESA-N 2 0 320.481 0.474 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001280462519 950885559 /nfs/dbraw/zinc/88/55/59/950885559.db2.gz WXGUUMHATXEOAR-OAHLLOKOSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H]2CCOC2)CCC1 ZINC001280485360 950898568 /nfs/dbraw/zinc/89/85/68/950898568.db2.gz JXZFHZHBNWDGCD-HOTGVXAUSA-N 2 0 319.449 0.749 20 30 DCEDRP CC#CC[N@H+](C)CCOCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001331144484 950958258 /nfs/dbraw/zinc/95/82/58/950958258.db2.gz IQCZWCPJYQTJAB-HOTGVXAUSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CCN1CC[C@@H]1CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001316604930 951024589 /nfs/dbraw/zinc/02/45/89/951024589.db2.gz MWDJOUYEOQQSGS-HZPDHXFCSA-N 2 0 307.438 0.511 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CC)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001281035481 951231763 /nfs/dbraw/zinc/23/17/63/951231763.db2.gz BWNXRUROJFCIOP-UHFFFAOYSA-N 2 0 324.469 0.601 20 30 DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001281169765 951351157 /nfs/dbraw/zinc/35/11/57/951351157.db2.gz YZQGDTYXMKCFAI-SFHVURJKSA-N 2 0 321.465 0.685 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C2CC(N(C)C(=O)CC[NH+](C)C)C2)C1=O ZINC001333115970 951923545 /nfs/dbraw/zinc/92/35/45/951923545.db2.gz HIIRMCRXQXYOJZ-NRXISQOPSA-N 2 0 322.453 0.304 20 30 DCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001335301678 952516251 /nfs/dbraw/zinc/51/62/51/952516251.db2.gz QJDOXPCPFSRRNW-CQSZACIVSA-N 2 0 308.426 0.769 20 30 DCEDRP C#CCCC[N@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001275978204 952581068 /nfs/dbraw/zinc/58/10/68/952581068.db2.gz MGBUNZLSJMHXHS-GOSISDBHSA-N 2 0 320.481 0.618 20 30 DCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001340789078 953195418 /nfs/dbraw/zinc/19/54/18/953195418.db2.gz UFRABXWBAPAMPD-INIZCTEOSA-N 2 0 308.470 0.908 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001341697700 953245237 /nfs/dbraw/zinc/24/52/37/953245237.db2.gz UURTYIDFZRWBDL-OAHLLOKOSA-N 2 0 324.469 0.683 20 30 DCEDRP C=CC[C@]1(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CCC[NH2+]1 ZINC001342697254 953303059 /nfs/dbraw/zinc/30/30/59/953303059.db2.gz ZKWRYEYFVWCMJV-YQQAZPJKSA-N 2 0 307.438 0.742 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]1[NH+]1CCC(O)CC1 ZINC001348981282 954554435 /nfs/dbraw/zinc/55/44/35/954554435.db2.gz WYLPFHZUKSKWMK-CVEARBPZSA-N 2 0 309.454 0.988 20 30 DCEDRP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001367625549 958208822 /nfs/dbraw/zinc/20/88/22/958208822.db2.gz SWSCPQHMUSEWBA-JKSUJKDBSA-N 2 0 318.421 0.465 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCOCC)C2)CC1 ZINC001491856851 959313354 /nfs/dbraw/zinc/31/33/54/959313354.db2.gz UUYJNVLUKJWTSN-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001492077557 959556620 /nfs/dbraw/zinc/55/66/20/959556620.db2.gz GDHZHTHTZHUGRD-KBPBESRZSA-N 2 0 324.469 0.503 20 30 DCEDRP C#CC[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1CC ZINC001316739765 960362817 /nfs/dbraw/zinc/36/28/17/960362817.db2.gz DIVFJHJUTIEYSM-JKSUJKDBSA-N 2 0 307.438 0.700 20 30 DCEDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1cnc(C#N)c(C#N)n1 ZINC001363725518 961768922 /nfs/dbraw/zinc/76/89/22/961768922.db2.gz DHYSYCLWBMENIF-UHFFFAOYSA-N 2 0 315.425 0.930 20 30 DCEDRP C=C(Cl)C[NH2+][C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001381049248 963783032 /nfs/dbraw/zinc/78/30/32/963783032.db2.gz UCTBIGGPJSGWIN-CQSZACIVSA-N 2 0 303.834 0.634 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001502594862 1015988938 /nfs/dbraw/zinc/98/89/38/1015988938.db2.gz DXIAVEDKTHHJGD-GOSISDBHSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CCC[C@@H](C)O)CC1 ZINC001507163276 1016044394 /nfs/dbraw/zinc/04/43/94/1016044394.db2.gz UERASDQJZQIDTN-HZPDHXFCSA-N 2 0 323.481 0.929 20 30 DCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001502747447 1016053933 /nfs/dbraw/zinc/05/39/33/1016053933.db2.gz CPRGMFDCGMBCCE-GOEBONIOSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001502778778 1016071158 /nfs/dbraw/zinc/07/11/58/1016071158.db2.gz FWPJDVJSTAVCOT-HZPDHXFCSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+]C1(C)CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001502809620 1016078540 /nfs/dbraw/zinc/07/85/40/1016078540.db2.gz LCQBYHDEQQGYCT-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001507207149 1016124964 /nfs/dbraw/zinc/12/49/64/1016124964.db2.gz HBMWOEQJDGUKNO-GDBMZVCRSA-N 2 0 307.438 0.483 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)C[N@@H+](C)CCC)CCO2 ZINC001503712207 1016172559 /nfs/dbraw/zinc/17/25/59/1016172559.db2.gz UVSQCDVUUKKJRY-UHFFFAOYSA-N 2 0 307.438 0.655 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001406297478 1003580040 /nfs/dbraw/zinc/58/00/40/1003580040.db2.gz FXHODXHWRGYTAX-QWHCGFSZSA-N 2 0 303.834 0.680 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCN1CCC2(C1)OCCO2 ZINC001574857738 1163774320 /nfs/dbraw/zinc/77/43/20/1163774320.db2.gz YIIBGQDBKJJDNW-LLVKDONJSA-N 2 0 303.790 0.021 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001506850830 1017611302 /nfs/dbraw/zinc/61/13/02/1017611302.db2.gz FWSBTAOKGDTHPZ-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001499512054 1017956028 /nfs/dbraw/zinc/95/60/28/1017956028.db2.gz YMEUXJJUNZXBBR-CVEARBPZSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001500018698 1018175504 /nfs/dbraw/zinc/17/55/04/1018175504.db2.gz NAIDNLLEZUKNIC-HZPDHXFCSA-N 2 0 321.465 0.947 20 30 DCEDRP CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC#CCOC)C1)[NH+](C)C ZINC001480303975 1018413300 /nfs/dbraw/zinc/41/33/00/1018413300.db2.gz VKLBPXDUPCTJNJ-CVEARBPZSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001480476268 1018572722 /nfs/dbraw/zinc/57/27/22/1018572722.db2.gz XGTMORCFDYUNPV-STQMWFEESA-N 2 0 310.442 0.256 20 30 DCEDRP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001500736629 1018618971 /nfs/dbraw/zinc/61/89/71/1018618971.db2.gz VWZYULLTRAHNSI-WMZOPIPTSA-N 2 0 321.465 0.826 20 30 DCEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001480679958 1018770748 /nfs/dbraw/zinc/77/07/48/1018770748.db2.gz RIQLKFKJDPLQIY-JKSUJKDBSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001501647519 1019352546 /nfs/dbraw/zinc/35/25/46/1019352546.db2.gz JXWRUFXDMNFOIH-HZPDHXFCSA-N 2 0 309.454 0.969 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CCC1 ZINC001502025827 1019635551 /nfs/dbraw/zinc/63/55/51/1019635551.db2.gz FWZCAODNSLTDJA-OAHLLOKOSA-N 2 0 307.438 0.607 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCO1 ZINC001502044117 1019653116 /nfs/dbraw/zinc/65/31/16/1019653116.db2.gz TWJQUCMFNBHGLE-STQMWFEESA-N 2 0 301.818 0.650 20 30 DCEDRP C=CC[NH+]1CCN(CCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001494101762 1019984785 /nfs/dbraw/zinc/98/47/85/1019984785.db2.gz FOCCZLDWFPCBGT-INIZCTEOSA-N 2 0 308.470 0.590 20 30 DCEDRP COC[C@H](C)NC(=[NH2+])NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270546641 238275256 /nfs/dbraw/zinc/27/52/56/238275256.db2.gz FANCBBQXJOJIHS-LBPRGKRZSA-N 2 0 309.414 0.461 20 30 DCEDRP C#CCNC(=O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000491782514 533161919 /nfs/dbraw/zinc/16/19/19/533161919.db2.gz MNWYVIOTVOCAJD-XYPWUTKMSA-N 2 0 307.438 0.700 20 30 DCEDRP CC[N@H+](CCNC(=[NH2+])N1CCN(c2ncccn2)CC1)C1CC1 ZINC000264324819 396271326 /nfs/dbraw/zinc/27/13/26/396271326.db2.gz YNPLEBKZQJEVQQ-UHFFFAOYSA-N 2 0 317.441 0.398 20 30 DCEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000598721353 397284438 /nfs/dbraw/zinc/28/44/38/397284438.db2.gz VMTONIIXBWFBQL-UONOGXRCSA-N 2 0 310.442 0.464 20 30 DCEDRP N#CC1(C[C@@H](O)C[NH2+]CC(=O)NCC[NH+]2CCCCC2)CC1 ZINC001647563445 1172973750 /nfs/dbraw/zinc/97/37/50/1172973750.db2.gz DBQULJNAWQSADJ-CQSZACIVSA-N 2 0 308.426 0.233 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357090164 416032277 /nfs/dbraw/zinc/03/22/77/416032277.db2.gz ZUIQVONBQORROS-JSGCOSHPSA-N 2 0 308.426 0.708 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)CC1 ZINC000419723451 416406537 /nfs/dbraw/zinc/40/65/37/416406537.db2.gz FYODYDTZPHOIIR-OAHLLOKOSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)CC1 ZINC000491327546 416596515 /nfs/dbraw/zinc/59/65/15/416596515.db2.gz WIKZFGFKUZDVHP-HZPDHXFCSA-N 2 0 319.449 0.653 20 30 DCEDRP C#CC[NH+](C)CCCNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000491652723 416609502 /nfs/dbraw/zinc/60/95/02/416609502.db2.gz BCBBMASUAPIKPX-INIZCTEOSA-N 2 0 324.469 0.742 20 30 DCEDRP CCc1nc(C#N)cc(N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000596123047 416577360 /nfs/dbraw/zinc/57/73/60/416577360.db2.gz LZCKIQOWBZRCRR-ZDUSSCGKSA-N 2 0 314.437 1.491 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000491785414 416628539 /nfs/dbraw/zinc/62/85/39/416628539.db2.gz UVESJOVJGIDSBU-UHFFFAOYSA-N 2 0 324.469 0.430 20 30 DCEDRP C=CCNC(=O)NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370704805 416899078 /nfs/dbraw/zinc/89/90/78/416899078.db2.gz BNAPVNCRQPAWHI-UHFFFAOYSA-N 2 0 308.426 0.806 20 30 DCEDRP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](N3CCOCC3)CC2)C1=O ZINC000660476771 418262163 /nfs/dbraw/zinc/26/21/63/418262163.db2.gz FKSLHVWRQFGHNI-JKSUJKDBSA-N 2 0 307.438 0.960 20 30 DCEDRP C[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)[N@H+](C)C1CC1 ZINC000264260264 278218195 /nfs/dbraw/zinc/21/81/95/278218195.db2.gz JCNNJXWPRLHGAE-ZDUSSCGKSA-N 2 0 317.441 0.396 20 30 DCEDRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000329940766 336097813 /nfs/dbraw/zinc/09/78/13/336097813.db2.gz UPRAWSUIHIPXGJ-CQSZACIVSA-N 2 0 312.458 0.820 20 30 DCEDRP CC(C)(CNC(=O)CN[C@H]1CCC[C@@H]1C#N)N1CCOCC1 ZINC000332547362 336174234 /nfs/dbraw/zinc/17/42/34/336174234.db2.gz CSACJWJQMXJSIB-KGLIPLIRSA-N 2 0 308.426 0.495 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000188714690 337221115 /nfs/dbraw/zinc/22/11/15/337221115.db2.gz CIVQEEPIWPWTEI-HNNXBMFYSA-N 2 0 321.465 0.635 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001569307078 1161007650 /nfs/dbraw/zinc/00/76/50/1161007650.db2.gz AZHOKXVMMXXECU-HOTGVXAUSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@@H+](C)C[C@H](C)O)CC1 ZINC001570218496 1161495201 /nfs/dbraw/zinc/49/52/01/1161495201.db2.gz VNHRIOXXGGSJSS-HNNXBMFYSA-N 2 0 309.454 0.493 20 30 DCEDRP C=CCNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001570217038 1161497126 /nfs/dbraw/zinc/49/71/26/1161497126.db2.gz VXIWTVGXPBVRQL-CQSZACIVSA-N 2 0 310.442 0.021 20 30 DCEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCO[C@@H](COC)C1 ZINC000261764440 526371119 /nfs/dbraw/zinc/37/11/19/526371119.db2.gz DFUXHLOGAIWQJL-DZGCQCFKSA-N 2 0 310.442 0.393 20 30 DCEDRP C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261972101 526381879 /nfs/dbraw/zinc/38/18/79/526381879.db2.gz NATOWGWORULOOB-GXFFZTMASA-N 2 0 319.409 0.526 20 30 DCEDRP C=CCN1CC[C@H]([NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C1=O ZINC000333854752 526506887 /nfs/dbraw/zinc/50/68/87/526506887.db2.gz OHHHVQDLLIFUAI-HRCADAONSA-N 2 0 307.438 0.992 20 30 DCEDRP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001675827687 1175394236 /nfs/dbraw/zinc/39/42/36/1175394236.db2.gz MGACCSULUOLGGE-JYJNAYRXSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CCO)C2)CC1 ZINC000981542438 661169423 /nfs/dbraw/zinc/16/94/23/661169423.db2.gz UPJWNLZXMPDDGW-HOTGVXAUSA-N 2 0 307.438 0.341 20 30 DCEDRP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)CCO2 ZINC000949244486 657489415 /nfs/dbraw/zinc/48/94/15/657489415.db2.gz KDOZRUYVMVSOSA-HNNXBMFYSA-N 2 0 307.438 0.818 20 30 DCEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971968817 658103916 /nfs/dbraw/zinc/10/39/16/658103916.db2.gz IEVPDLMHHJRMKX-BNQMIIOLSA-N 2 0 319.449 0.958 20 30 DCEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000970191020 658717589 /nfs/dbraw/zinc/71/75/89/658717589.db2.gz PVLWLHKHTJQNLO-QBPRILJRSA-N 2 0 317.433 0.309 20 30 DCEDRP C=CC[NH2+]C1CC(N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000999537657 665654121 /nfs/dbraw/zinc/65/41/21/665654121.db2.gz KCNQWNSLYWNGRH-UHFFFAOYSA-N 2 0 305.426 0.823 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1CC[NH+](CC)CC1 ZINC000104168495 659618774 /nfs/dbraw/zinc/61/87/74/659618774.db2.gz GZJRVJBNLAMFHG-HNNXBMFYSA-N 3 0 310.490 0.013 20 30 DCEDRP C=CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[N@H+]3C)nn2)C1 ZINC000999960073 665719048 /nfs/dbraw/zinc/71/90/48/665719048.db2.gz BJKWKKYEKOUBLK-CABCVRRESA-N 2 0 318.425 0.421 20 30 DCEDRP C=CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[N@H+]3C)nn2)C1 ZINC000999960076 665719323 /nfs/dbraw/zinc/71/93/23/665719323.db2.gz BJKWKKYEKOUBLK-HUUCEWRRSA-N 2 0 318.425 0.421 20 30 DCEDRP C#CCC[N@H+]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000982165747 661300059 /nfs/dbraw/zinc/30/00/59/661300059.db2.gz RQAJQYQZGBQOGP-UHFFFAOYSA-N 2 0 317.437 0.616 20 30 DCEDRP C[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000261974132 661937917 /nfs/dbraw/zinc/93/79/17/661937917.db2.gz NJFMQJDDKGQNGF-CMPLNLGQSA-N 2 0 305.430 0.414 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CN(C)CCO2)C(C)(C)C1 ZINC000940648941 665822237 /nfs/dbraw/zinc/82/22/37/665822237.db2.gz JXKMYBSIIRVVFT-HUUCEWRRSA-N 2 0 307.438 0.557 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN(C)CCO2)C(C)(C)C1 ZINC000940648016 665822393 /nfs/dbraw/zinc/82/23/93/665822393.db2.gz VMBBOIMNOXSHSO-HUUCEWRRSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCO)CC2(C)C)CC1 ZINC000941237570 665954283 /nfs/dbraw/zinc/95/42/83/665954283.db2.gz PDMFRMTXFTXJOZ-INIZCTEOSA-N 2 0 321.465 0.541 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991357385 664120609 /nfs/dbraw/zinc/12/06/09/664120609.db2.gz FGZCHMLFOPMTRF-CBZIJGRNSA-N 2 0 319.449 0.842 20 30 DCEDRP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC000992855108 664780315 /nfs/dbraw/zinc/78/03/15/664780315.db2.gz HXSBGLWRJQXYIM-HRCADAONSA-N 2 0 301.434 0.932 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000916841756 665096693 /nfs/dbraw/zinc/09/66/93/665096693.db2.gz HXXZYADPAJTDBQ-JKSUJKDBSA-N 2 0 320.437 0.246 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCO)[C@@H]2C)CC1 ZINC000994495752 665116543 /nfs/dbraw/zinc/11/65/43/665116543.db2.gz GRYVWCOGUYXZAS-WBVHZDCISA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2C[NH+](C[C@@H]3CCCOC3)C2)CC1 ZINC001031437324 665149182 /nfs/dbraw/zinc/14/91/82/665149182.db2.gz YXGVVEJPRKNYQP-HNNXBMFYSA-N 2 0 319.449 0.559 20 30 DCEDRP C=CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031727927 665352349 /nfs/dbraw/zinc/35/23/49/665352349.db2.gz ZFRRELJNSSDVFR-INIZCTEOSA-N 2 0 307.438 0.864 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1(C)C ZINC000996623634 666836864 /nfs/dbraw/zinc/83/68/64/666836864.db2.gz NWFBDCUHPMEUQT-LSDHHAIUSA-N 2 0 309.454 0.967 20 30 DCEDRP CC1CC[NH+](CCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884188256 667493424 /nfs/dbraw/zinc/49/34/24/667493424.db2.gz CLAICTLZWNIQNC-ISXOHVOVSA-N 2 0 304.438 0.974 20 30 DCEDRP COCC[N@H+](C)CCCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884192346 667494020 /nfs/dbraw/zinc/49/40/20/667494020.db2.gz CTBWNOOONYXCRY-NPCAHTBFSA-N 2 0 308.426 0.210 20 30 DCEDRP C[NH+](C)CCn1cc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cn1 ZINC000884206543 667498737 /nfs/dbraw/zinc/49/87/37/667498737.db2.gz XUOBBSJDIJTKGR-UYJPIKCFSA-N 2 0 316.409 0.523 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923454166 667537112 /nfs/dbraw/zinc/53/71/12/667537112.db2.gz OUXJUBASBDKCKR-QWHCGFSZSA-N 2 0 324.425 0.217 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](CC)NC(=O)C(=C)C[NH+](C)C ZINC000764498982 668450206 /nfs/dbraw/zinc/45/02/06/668450206.db2.gz JDDFTTCWXIVDTK-CQSZACIVSA-N 2 0 310.442 0.233 20 30 DCEDRP [NH3+]C[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)C[C@@H]1C(F)(F)F ZINC000877359192 668608759 /nfs/dbraw/zinc/60/87/59/668608759.db2.gz ZHXFVSYYICFMPY-NEPJUHHUSA-N 2 0 303.328 0.585 20 30 DCEDRP C#CCC[NH+]1CCC2(CC1)CN(C(=O)C[NH+]1CCCC1)CCO2 ZINC000949244425 670295497 /nfs/dbraw/zinc/29/54/97/670295497.db2.gz GRJWGOZIMCYGMW-UHFFFAOYSA-N 2 0 319.449 0.799 20 30 DCEDRP CCNC(NCC1(N2CCOCC2)CC[NH+](C)CC1)=[NH+]CC ZINC000849041905 670754659 /nfs/dbraw/zinc/75/46/59/670754659.db2.gz ZNOSGYMPYPPVRJ-UHFFFAOYSA-N 2 0 311.474 0.358 20 30 DCEDRP C#CCOc1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000819350755 671113299 /nfs/dbraw/zinc/11/32/99/671113299.db2.gz UHSRJUFQEMJHGN-QGZVFWFLSA-N 2 0 317.433 0.397 20 30 DCEDRP C#C[C@H]1COCCN1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000820087047 671164403 /nfs/dbraw/zinc/16/44/03/671164403.db2.gz PJABJNNOGJOWSY-GJZGRUSLSA-N 2 0 310.442 0.302 20 30 DCEDRP CN(C)CC[NH+]1CCC(CNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852862041 671177390 /nfs/dbraw/zinc/17/73/90/671177390.db2.gz QVVKDUUJZAUQQK-UHFFFAOYSA-N 2 0 320.481 0.379 20 30 DCEDRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852891621 671188025 /nfs/dbraw/zinc/18/80/25/671188025.db2.gz UOSBRPUXFHMVKC-AEFFLSMTSA-N 2 0 319.449 0.734 20 30 DCEDRP C[NH+]=C(NCCN1CCOCC1)NCC[NH+](C(C)C)C(C)C ZINC000303697858 685206499 /nfs/dbraw/zinc/20/64/99/685206499.db2.gz FXHROCLPGURGQW-UHFFFAOYSA-N 2 0 313.490 0.602 20 30 DCEDRP C=CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000958199277 687428851 /nfs/dbraw/zinc/42/88/51/687428851.db2.gz GLKXRSUJSOEFSH-BBRMVZONSA-N 2 0 314.389 0.851 20 30 DCEDRP CC#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214829 687447855 /nfs/dbraw/zinc/44/78/55/687447855.db2.gz NNEHAMQRNNMZBR-LSDHHAIUSA-N 2 0 305.422 0.047 20 30 DCEDRP C=CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958266667 687495342 /nfs/dbraw/zinc/49/53/42/687495342.db2.gz BBNDSHCQQAAUCC-ZFWWWQNUSA-N 2 0 300.362 0.543 20 30 DCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](O)C1 ZINC000958581155 687769623 /nfs/dbraw/zinc/76/96/23/687769623.db2.gz MVKOECVUYFGVGL-IAGOWNOFSA-N 2 0 319.449 0.151 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC(C)C)C[C@@H]2O)CC1 ZINC000958723226 687875511 /nfs/dbraw/zinc/87/55/11/687875511.db2.gz DPPBRMGCJYPISC-SJORKVTESA-N 2 0 321.465 0.397 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961279164 688586246 /nfs/dbraw/zinc/58/62/46/688586246.db2.gz HSRMTNQBGGJLGU-ZBKZBXIDSA-N 2 0 317.433 0.472 20 30 DCEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015322987 692263272 /nfs/dbraw/zinc/26/32/72/692263272.db2.gz GLBHDFVLEKVBOB-KRIMKBQASA-N 2 0 305.422 0.616 20 30 DCEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020179175 693724600 /nfs/dbraw/zinc/72/46/00/693724600.db2.gz RAIVTHTYOWBEEX-AAVRWANBSA-N 2 0 313.829 0.839 20 30 DCEDRP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001072740738 694659276 /nfs/dbraw/zinc/65/92/76/694659276.db2.gz HQXBJPTZIUFOEQ-MRXNPFEDSA-N 2 0 301.434 0.886 20 30 DCEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070459 694997023 /nfs/dbraw/zinc/99/70/23/694997023.db2.gz KHRCPBJLQJFAHL-SYGRHNPNSA-N 2 0 315.417 0.016 20 30 DCEDRP COCC#CC[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001571348826 1162714027 /nfs/dbraw/zinc/71/40/27/1162714027.db2.gz QORBDFJRFPYDSH-CVEARBPZSA-N 2 0 309.454 0.851 20 30 DCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C ZINC001571462821 1162769100 /nfs/dbraw/zinc/76/91/00/1162769100.db2.gz KTNGJLPNIDSYJJ-ZBFHGGJFSA-N 2 0 317.437 0.661 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001571487617 1162779400 /nfs/dbraw/zinc/77/94/00/1162779400.db2.gz UUUJYYHNAHZWEY-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001571542379 1162803811 /nfs/dbraw/zinc/80/38/11/1162803811.db2.gz NPABWOYYGBXAGY-JKSUJKDBSA-N 2 0 321.465 0.853 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001691798997 1157580713 /nfs/dbraw/zinc/58/07/13/1157580713.db2.gz XYHCDWHJCKQHQC-IRXDYDNUSA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001691123525 1157587830 /nfs/dbraw/zinc/58/78/30/1157587830.db2.gz JYVXNSDYJJCBQX-OAGGEKHMSA-N 2 0 307.438 0.462 20 30 DCEDRP C=CCOCC[N@H+]1CCC[C@H](NC(=O)Cn2ccnc2C)C1 ZINC001752335302 1157911838 /nfs/dbraw/zinc/91/18/38/1157911838.db2.gz PFOVYXQXSSDHBO-HNNXBMFYSA-N 2 0 306.410 0.975 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001565848196 1159909828 /nfs/dbraw/zinc/90/98/28/1159909828.db2.gz JDJMPWLAPSQVQA-BYNSBNAKSA-N 2 0 322.453 0.256 20 30 DCEDRP C#CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H](CC)[NH+](C)C)n1 ZINC001565992550 1159940451 /nfs/dbraw/zinc/94/04/51/1159940451.db2.gz JPECFKMIQSETIP-CYBMUJFWSA-N 2 0 319.409 0.252 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001566881590 1160176762 /nfs/dbraw/zinc/17/67/62/1160176762.db2.gz WWZAADOXQZBLTP-CABCVRRESA-N 2 0 322.453 0.069 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001567718119 1160463051 /nfs/dbraw/zinc/46/30/51/1160463051.db2.gz VTWBDZSPGNUGKR-INIZCTEOSA-N 2 0 308.470 0.733 20 30 DCEDRP C=CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001567720415 1160463281 /nfs/dbraw/zinc/46/32/81/1160463281.db2.gz WMWPIKSERKNOGB-INIZCTEOSA-N 2 0 308.470 0.733 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001569567565 1161151121 /nfs/dbraw/zinc/15/11/21/1161151121.db2.gz YVFSMZUJJHVSDA-LSDHHAIUSA-N 2 0 322.453 0.045 20 30 DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001570290832 1161545229 /nfs/dbraw/zinc/54/52/29/1161545229.db2.gz FGIHFOGQQQCJNY-SFHVURJKSA-N 2 0 323.481 0.931 20 30 DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001570294457 1161549953 /nfs/dbraw/zinc/54/99/53/1161549953.db2.gz VLKBEXWHTCNXPO-RDJZCZTQSA-N 2 0 309.454 0.539 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001570370070 1161583635 /nfs/dbraw/zinc/58/36/35/1161583635.db2.gz NVMGFQNGWVPBKI-CQSZACIVSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CCN(C)c1nnc([C@@H]2CCC[NH2+]C2)n1C[C@H](C)[NH+](C)C ZINC001574604446 1163733989 /nfs/dbraw/zinc/73/39/89/1163733989.db2.gz PYUSAFMCZVVHGO-UONOGXRCSA-N 2 0 304.442 0.765 20 30 DCEDRP C#CCN(C)c1nnc([C@@H]2CCC[NH2+]C2)n1C[C@@H](C)[NH+](C)C ZINC001574604447 1163734879 /nfs/dbraw/zinc/73/48/79/1163734879.db2.gz PYUSAFMCZVVHGO-ZIAGYGMSSA-N 2 0 304.442 0.765 20 30 DCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001647375588 1172850877 /nfs/dbraw/zinc/85/08/77/1172850877.db2.gz XGTSQOOAYWQYPN-IOSBVQAASA-N 2 0 302.422 0.917 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001663620969 1174333855 /nfs/dbraw/zinc/33/38/55/1174333855.db2.gz SUPQUWDUJOGOCM-GJZGRUSLSA-N 2 0 322.453 0.069 20 30 DCEDRP C=CCOCC[NH2+]CCN(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001664023708 1174384806 /nfs/dbraw/zinc/38/48/06/1174384806.db2.gz UIKZIMFCHKMSQT-AWEZNQCLSA-N 2 0 306.410 0.696 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001666447233 1174603492 /nfs/dbraw/zinc/60/34/92/1174603492.db2.gz QYZNSDNNVBJODR-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CCC(=C)C)CC1 ZINC001667939091 1174736126 /nfs/dbraw/zinc/73/61/26/1174736126.db2.gz CPMXOJKAIJJNHR-INIZCTEOSA-N 2 0 307.438 0.365 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001672043712 1175070385 /nfs/dbraw/zinc/07/03/85/1175070385.db2.gz AOPNPMZHLFZHBR-FUHWJXTLSA-N 2 0 321.465 0.683 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001672529256 1175122973 /nfs/dbraw/zinc/12/29/73/1175122973.db2.gz BXYVZVXEMQVOHZ-HOTGVXAUSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CCNC(=O)C[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001674001941 1175244921 /nfs/dbraw/zinc/24/49/21/1175244921.db2.gz PBIMWIIILAWYLM-UHFFFAOYSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001674085375 1175252011 /nfs/dbraw/zinc/25/20/11/1175252011.db2.gz SOZTVICWZPLHKI-INIZCTEOSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001674311418 1175269670 /nfs/dbraw/zinc/26/96/70/1175269670.db2.gz SBKMOOPMKJJZJB-CQSZACIVSA-N 2 0 313.417 0.243 20 30 DCEDRP COCC#CC[NH2+]CC1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001674541657 1175282730 /nfs/dbraw/zinc/28/27/30/1175282730.db2.gz GSKOAKMQCBBGCJ-PREGVCBESA-N 2 0 319.449 0.462 20 30 DCEDRP C[C@@H]1C[NH+](CCCNC(=O)NCC#CC[NH+](C)C)C[C@@H](C)O1 ZINC001674965526 1175312157 /nfs/dbraw/zinc/31/21/57/1175312157.db2.gz XAZKGNFQZBIURA-HUUCEWRRSA-N 2 0 310.442 0.350 20 30 DCEDRP C=CC[N@H+](C)CCOCCNC(=O)[C@@H]1CCc2nccn2C1 ZINC001676113739 1175422251 /nfs/dbraw/zinc/42/22/51/1175422251.db2.gz BDPBYBSRODZUOX-CQSZACIVSA-N 2 0 306.410 0.696 20 30 DCEDRP C#CC[N@@H+](C)CCOCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001676131658 1175424209 /nfs/dbraw/zinc/42/42/09/1175424209.db2.gz VJVNLSTXPARROK-UHFFFAOYSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001677018975 1175513981 /nfs/dbraw/zinc/51/39/81/1175513981.db2.gz NOLHKXMLSYCMBN-CQSZACIVSA-N 2 0 324.469 0.457 20 30 DCEDRP CC[C@@H](C(=O)NCC1=CC[N@H+](CC#CCOC)CC1)[NH+](C)C ZINC001677603666 1175586002 /nfs/dbraw/zinc/58/60/02/1175586002.db2.gz YTNJHTUWYIBTPM-INIZCTEOSA-N 2 0 307.438 0.725 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001688904384 1176651860 /nfs/dbraw/zinc/65/18/60/1176651860.db2.gz RGYUGGYYYHDJGO-GASCZTMLSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001689210509 1176744143 /nfs/dbraw/zinc/74/41/43/1176744143.db2.gz LBXUMGCIWQWNMM-KRWDZBQOSA-N 2 0 321.465 0.781 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001690362282 1177223732 /nfs/dbraw/zinc/22/37/32/1177223732.db2.gz XJTAEKVLFWCBGM-NCOADZHNSA-N 2 0 321.465 0.993 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001690471521 1177250301 /nfs/dbraw/zinc/25/03/01/1177250301.db2.gz JMIHXUNHDSHNEL-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001691924902 1177385000 /nfs/dbraw/zinc/38/50/00/1177385000.db2.gz MVVHDINLPCSNJY-GJZGRUSLSA-N 2 0 322.453 0.069 20 30 DCEDRP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001692037094 1177407880 /nfs/dbraw/zinc/40/78/80/1177407880.db2.gz UCFFQBLEQHUOOG-IRXDYDNUSA-N 2 0 321.465 0.800 20 30 DCEDRP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001692046590 1177409323 /nfs/dbraw/zinc/40/93/23/1177409323.db2.gz XDXXDTSSRSSWPR-INIZCTEOSA-N 2 0 309.454 0.637 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001698609485 1177580592 /nfs/dbraw/zinc/58/05/92/1177580592.db2.gz GHHFXOCMXSRKAC-SOUVJXGZSA-N 2 0 324.469 0.503 20 30 DCEDRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC#CCOC ZINC001699033842 1177780028 /nfs/dbraw/zinc/78/00/28/1177780028.db2.gz GMWQYXRTLFOVPR-HOTGVXAUSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H](C)C1 ZINC001699738046 1178271198 /nfs/dbraw/zinc/27/11/98/1178271198.db2.gz JRYHHMDHBVDHLS-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001699859717 1178320816 /nfs/dbraw/zinc/32/08/16/1178320816.db2.gz SGHLGCFJLBZVTR-KRWDZBQOSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001700181428 1178521360 /nfs/dbraw/zinc/52/13/60/1178521360.db2.gz VNFAVKGIPXUBMP-LSDHHAIUSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001700336435 1178586679 /nfs/dbraw/zinc/58/66/79/1178586679.db2.gz GWASZPIOAPZQMP-HNNXBMFYSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001700358580 1178595128 /nfs/dbraw/zinc/59/51/28/1178595128.db2.gz YFRQBXPYHLWXDH-GJZGRUSLSA-N 2 0 324.469 0.552 20 30 DCEDRP C#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001700966451 1178848543 /nfs/dbraw/zinc/84/85/43/1178848543.db2.gz WHQVEPNCLOWBBC-HZPDHXFCSA-N 2 0 309.454 0.493 20 30 DCEDRP COCC#CC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001701047397 1178904976 /nfs/dbraw/zinc/90/49/76/1178904976.db2.gz XRQYWFHLQZKKKS-MRXNPFEDSA-N 2 0 305.422 0.479 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001713220436 1180725808 /nfs/dbraw/zinc/72/58/08/1180725808.db2.gz LCCGUMLMISMWMS-IAGOWNOFSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]C[C@@H](C)O)C2)CC1 ZINC001713364063 1180785909 /nfs/dbraw/zinc/78/59/09/1180785909.db2.gz HOWTUOBQVNNSMH-HUUCEWRRSA-N 2 0 307.438 0.151 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCCN(CC)Cc1cnn(C)c1 ZINC001713486619 1180862808 /nfs/dbraw/zinc/86/28/08/1180862808.db2.gz PVOLRINKEPCJQV-INIZCTEOSA-N 2 0 317.437 0.456 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC#CCOC)C1CC1 ZINC001713868162 1181121369 /nfs/dbraw/zinc/12/13/69/1181121369.db2.gz NRHDTAWARMGCMG-IAGOWNOFSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001714064267 1181231052 /nfs/dbraw/zinc/23/10/52/1181231052.db2.gz BILDIXYIHLTRNA-BRWVUGGUSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001714093204 1181240959 /nfs/dbraw/zinc/24/09/59/1181240959.db2.gz CMHLFNSGBLXORH-GJZGRUSLSA-N 2 0 322.453 0.069 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+][C@H](C)COC)CC1 ZINC001715085228 1181683883 /nfs/dbraw/zinc/68/38/83/1181683883.db2.gz KVWVBKLJMVYMRG-GDBMZVCRSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001715432943 1181811740 /nfs/dbraw/zinc/81/17/40/1181811740.db2.gz VQOOCUQMUSAPBY-GJZGRUSLSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)[C@@H](C)COC)CC1 ZINC001715539258 1181847544 /nfs/dbraw/zinc/84/75/44/1181847544.db2.gz HPGCEDJOSYRIHM-HNNXBMFYSA-N 2 0 309.454 0.757 20 30 DCEDRP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001715714978 1181953893 /nfs/dbraw/zinc/95/38/93/1181953893.db2.gz OSHXXPWUOPJISL-CABCVRRESA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001715741397 1181971581 /nfs/dbraw/zinc/97/15/81/1181971581.db2.gz BWQVURYUWKXPRC-HUUCEWRRSA-N 2 0 324.469 0.600 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001715975689 1182127660 /nfs/dbraw/zinc/12/76/60/1182127660.db2.gz GCPMBCNXAGWCHC-HNNXBMFYSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001715979404 1182129209 /nfs/dbraw/zinc/12/92/09/1182129209.db2.gz NJOIOJYWELOOAP-QWHCGFSZSA-N 2 0 310.442 0.256 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001716086374 1182182215 /nfs/dbraw/zinc/18/22/15/1182182215.db2.gz VWPCHEFVWDUZIH-GDBMZVCRSA-N 2 0 307.438 0.341 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]C/C=C\Cl)CC1 ZINC001716113049 1182197165 /nfs/dbraw/zinc/19/71/65/1182197165.db2.gz XAGDVYSTILSVNK-XSHSDMCLSA-N 2 0 313.829 0.151 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001716329883 1182337873 /nfs/dbraw/zinc/33/78/73/1182337873.db2.gz KUFNZWPYMPGTEJ-SSBHQGKESA-N 2 0 320.437 0.130 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001716443538 1182392747 /nfs/dbraw/zinc/39/27/47/1182392747.db2.gz YQSJYTWBQXEWHC-HNNXBMFYSA-N 2 0 307.438 0.607 20 30 DCEDRP C#CCC[N@@H+](CCOC)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001716718017 1182501921 /nfs/dbraw/zinc/50/19/21/1182501921.db2.gz XTDPIMQREPSPET-UHFFFAOYSA-N 2 0 309.454 0.901 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001716975334 1182607979 /nfs/dbraw/zinc/60/79/79/1182607979.db2.gz LQYJDAIABVSJCY-CABCVRRESA-N 2 0 324.469 0.455 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([C@@H](C)[NH2+]CCCO)C2)CC1 ZINC001716975277 1182608267 /nfs/dbraw/zinc/60/82/67/1182608267.db2.gz KZGNUMVQHNNEFQ-WBVHZDCISA-N 2 0 321.465 0.541 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001716992554 1182614540 /nfs/dbraw/zinc/61/45/40/1182614540.db2.gz UULCKMPRMRKXEI-LSDHHAIUSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1C ZINC001716992424 1182614543 /nfs/dbraw/zinc/61/45/43/1182614543.db2.gz RNQFLNHHWIRVLW-LSDHHAIUSA-N 2 0 317.437 0.376 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001716994295 1182614919 /nfs/dbraw/zinc/61/49/19/1182614919.db2.gz XRTRBYGINYIQHA-CVEARBPZSA-N 2 0 319.449 0.416 20 30 DCEDRP C=C(C)CC[NH2+]CCN(CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001717051139 1182649846 /nfs/dbraw/zinc/64/98/46/1182649846.db2.gz VNCMTBUZGALXLY-INIZCTEOSA-N 2 0 309.454 0.705 20 30 DCEDRP C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001717200014 1182727198 /nfs/dbraw/zinc/72/71/98/1182727198.db2.gz XYKHGPJUUDMOMY-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001717257189 1182753185 /nfs/dbraw/zinc/75/31/85/1182753185.db2.gz AOAYSUKVHGXIBE-KRWDZBQOSA-N 2 0 309.454 0.847 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001717259173 1182753844 /nfs/dbraw/zinc/75/38/44/1182753844.db2.gz XNBKHNPSVPYFLP-QGZVFWFLSA-N 2 0 307.438 0.295 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001717286406 1182767222 /nfs/dbraw/zinc/76/72/22/1182767222.db2.gz UGCRUGQVGGPMJR-KBPBESRZSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001717613145 1182924553 /nfs/dbraw/zinc/92/45/53/1182924553.db2.gz MMRNTXLGJDOGDP-GJZGRUSLSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CCC[NH2+][C@H](C)[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001717617203 1182926947 /nfs/dbraw/zinc/92/69/47/1182926947.db2.gz VCUZLUGYPMQCAC-HUUCEWRRSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001717918382 1183059074 /nfs/dbraw/zinc/05/90/74/1183059074.db2.gz KQNHBZVYEIMGHP-CVEARBPZSA-N 2 0 307.438 0.436 20 30 DCEDRP C#CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CCOC ZINC001717975682 1183093118 /nfs/dbraw/zinc/09/31/18/1183093118.db2.gz GTAVSASQWRPBQX-HOTGVXAUSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCC[NH2+]C1CC(N(C)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001718000102 1183102155 /nfs/dbraw/zinc/10/21/55/1183102155.db2.gz YKIKOQICCLKEHU-QQFBHYJXSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001724245815 1184405313 /nfs/dbraw/zinc/40/53/13/1184405313.db2.gz WCHYNHOOLPYWHF-SFHVURJKSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001724427237 1184440038 /nfs/dbraw/zinc/44/00/38/1184440038.db2.gz MLBRNFIRZHPMAA-QGZVFWFLSA-N 2 0 307.438 0.439 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001724650500 1184496723 /nfs/dbraw/zinc/49/67/23/1184496723.db2.gz YXJPNYUERHYHEM-YESZJQIVSA-N 2 0 319.449 0.653 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001724907033 1184613916 /nfs/dbraw/zinc/61/39/16/1184613916.db2.gz FLPVACGEAPRLSE-ZOBUZTSGSA-N 2 0 307.438 0.293 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001724908228 1184615081 /nfs/dbraw/zinc/61/50/81/1184615081.db2.gz FRRDWADTCWYGMG-NVXWUHKLSA-N 2 0 307.438 0.295 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001724915700 1184617884 /nfs/dbraw/zinc/61/78/84/1184617884.db2.gz XVNTWNDBLIEYAA-QGZVFWFLSA-N 2 0 309.454 0.685 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001725022760 1184660505 /nfs/dbraw/zinc/66/05/05/1184660505.db2.gz JSOSDTSJPBRTAF-UHFFFAOYSA-N 2 0 307.438 0.295 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H]1C ZINC001725577405 1184894988 /nfs/dbraw/zinc/89/49/88/1184894988.db2.gz ZZYWXNMHUPTIKN-KGLIPLIRSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(CC[N@@H+](C)C[C@@H](C)O)C(C)C)CC1 ZINC001725731273 1184976850 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0.853 20 30 DCEDRP CC#CC[NH2+]C[C@H](C)N(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001732421737 1185811412 /nfs/dbraw/zinc/81/14/12/1185811412.db2.gz XEOCSMWSWJGLBV-AWEZNQCLSA-N 2 0 305.426 0.518 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1CC[NH+](CC#C)CC1 ZINC001732632056 1185880463 /nfs/dbraw/zinc/88/04/63/1185880463.db2.gz XHKSAEWTDNKULC-SJORKVTESA-N 2 0 301.434 0.839 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)CCC[C@H](C)O)CC1 ZINC001733067975 1186124327 /nfs/dbraw/zinc/12/43/27/1186124327.db2.gz SWVAXBSEBIIECT-CVEARBPZSA-N 2 0 323.481 0.929 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001733481157 1186287591 /nfs/dbraw/zinc/28/75/91/1186287591.db2.gz ZPOHJYILAXYGGS-RDJZCZTQSA-N 2 0 307.438 0.457 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001733493681 1186302347 /nfs/dbraw/zinc/30/23/47/1186302347.db2.gz VVZRCWHKFYVMQE-GOSISDBHSA-N 2 0 321.465 0.829 20 30 DCEDRP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001733495766 1186303958 /nfs/dbraw/zinc/30/39/58/1186303958.db2.gz PYWVWKWEXCXBAS-QGZVFWFLSA-N 2 0 309.454 0.847 20 30 DCEDRP C=CCCC[NH2+][C@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001733822268 1186462159 /nfs/dbraw/zinc/46/21/59/1186462159.db2.gz LIZZYKCQESQFRX-GOSISDBHSA-N 2 0 321.465 0.992 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001733849508 1186474567 /nfs/dbraw/zinc/47/45/67/1186474567.db2.gz WQSQZIMNYIMPIU-HOTGVXAUSA-N 2 0 319.449 0.701 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001733883009 1186485353 /nfs/dbraw/zinc/48/53/53/1186485353.db2.gz HGZNEMFQFDSOQE-MRXNPFEDSA-N 2 0 319.449 0.295 20 30 DCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001733918635 1186497505 /nfs/dbraw/zinc/49/75/05/1186497505.db2.gz NLGVPWWFVZYLMN-UHFFFAOYSA-N 2 0 309.454 0.685 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001734414698 1186647020 /nfs/dbraw/zinc/64/70/20/1186647020.db2.gz FTXZXDSVLJCRIM-GJZGRUSLSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[N@H+]1CC=C(CNC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC001734628159 1186710494 /nfs/dbraw/zinc/71/04/94/1186710494.db2.gz GTPQZPLJGPBUSK-UHFFFAOYSA-N 2 0 319.449 0.726 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001753933384 1188688668 /nfs/dbraw/zinc/68/86/68/1188688668.db2.gz KIQXXMIOLNCEMP-SJORKVTESA-N 2 0 317.433 0.769 20 30 DCEDRP C=CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001754753594 1188921975 /nfs/dbraw/zinc/92/19/75/1188921975.db2.gz AKQDTHGGOHVWKA-ZOBUZTSGSA-N 2 0 309.454 0.846 20 30 DCEDRP C=CC[NH2+]C1CCN(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001754848932 1188947766 /nfs/dbraw/zinc/94/77/66/1188947766.db2.gz YJCTZQFBPYSOGO-QGZVFWFLSA-N 2 0 320.481 0.684 20 30 DCEDRP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001755458859 1189118280 /nfs/dbraw/zinc/11/82/80/1189118280.db2.gz DVWTUYXUKLWXMW-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001755472987 1189121212 /nfs/dbraw/zinc/12/12/12/1189121212.db2.gz DVDMDBRUUMWSMS-WKILWMFISA-N 2 0 321.465 0.853 20 30 DCEDRP COCC#CC[N@H+]1CC=C(CNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001755895112 1189251842 /nfs/dbraw/zinc/25/18/42/1189251842.db2.gz WLTNVZNKHNGZDI-INIZCTEOSA-N 2 0 319.449 0.726 20 30 DCEDRP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001077553737 751450881 /nfs/dbraw/zinc/45/08/81/751450881.db2.gz QGRQIWHLPZRKPM-BZUAXINKSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC#C)CC2)C[C@H]1C ZINC001107030793 751764014 /nfs/dbraw/zinc/76/40/14/751764014.db2.gz XACMEUVECLTKOP-NVXWUHKLSA-N 2 0 301.434 0.649 20 30 DCEDRP C=CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192574 746970505 /nfs/dbraw/zinc/97/05/05/746970505.db2.gz HGNZNJFFYIMZML-OWCLPIDISA-N 2 0 307.438 0.816 20 30 DCEDRP C=CC[N@@H+](CCO)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001098535119 747049494 /nfs/dbraw/zinc/04/94/94/747049494.db2.gz SZCHPZAETMIBJQ-UHFFFAOYSA-N 2 0 307.438 0.554 20 30 DCEDRP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083275277 747679419 /nfs/dbraw/zinc/67/94/19/747679419.db2.gz WLAXLVCOJLKXQT-OWCLPIDISA-N 2 0 307.438 0.816 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCO)[C@@H]2CC)CC1 ZINC001087840338 749078549 /nfs/dbraw/zinc/07/85/49/749078549.db2.gz SAHSKNAAFAJSGC-JKSUJKDBSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087969008 749158179 /nfs/dbraw/zinc/15/81/79/749158179.db2.gz WSDOQZCTMQRPAK-IKGGRYGDSA-N 2 0 301.434 0.742 20 30 DCEDRP C#CC[NH2+]CC1(CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001168154093 749521490 /nfs/dbraw/zinc/52/14/90/749521490.db2.gz SKPKIOADPYBRQO-HNNXBMFYSA-N 2 0 307.438 0.464 20 30 DCEDRP C#CCC[N@@H+](CCO)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001098462289 761977572 /nfs/dbraw/zinc/97/75/72/761977572.db2.gz MRBKNBVGBOMEKD-UHFFFAOYSA-N 2 0 309.454 0.637 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105945295 750595468 /nfs/dbraw/zinc/59/54/68/750595468.db2.gz SDOANFUUVKFYDF-RBSFLKMASA-N 2 0 322.453 0.067 20 30 DCEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083726978 751085971 /nfs/dbraw/zinc/08/59/71/751085971.db2.gz FCLXRYXJIAVHMD-JONQDZQNSA-N 2 0 309.454 0.844 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001044772577 752864710 /nfs/dbraw/zinc/86/47/10/752864710.db2.gz WKNYNFGVSGHMOH-ZBFHGGJFSA-N 2 0 317.437 0.661 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001168666963 753020706 /nfs/dbraw/zinc/02/07/06/753020706.db2.gz OFPUOBZZCGTLKJ-INIZCTEOSA-N 2 0 324.469 0.198 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)CC)C[C@H]2O)CC1 ZINC001078227171 753122209 /nfs/dbraw/zinc/12/22/09/753122209.db2.gz MIATVDUVFXRBRN-USXIJHARSA-N 2 0 321.465 0.539 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]([NH2+]CCO)C23CCC3)CC1 ZINC001078819683 753393088 /nfs/dbraw/zinc/39/30/88/753393088.db2.gz RCOHEXQCDCRMAC-HZPDHXFCSA-N 2 0 319.449 0.341 20 30 DCEDRP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046081844 753470920 /nfs/dbraw/zinc/47/09/20/753470920.db2.gz KOGVNDFXZFBCKB-JKSUJKDBSA-N 2 0 306.454 0.343 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046326561 753646389 /nfs/dbraw/zinc/64/63/89/753646389.db2.gz QZFYFWRHMNEBPN-QGZVFWFLSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046501291 753752743 /nfs/dbraw/zinc/75/27/43/753752743.db2.gz MZKHXHWMCHEGET-HTUOJYHCSA-N 2 0 303.406 0.063 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001046567395 753796490 /nfs/dbraw/zinc/79/64/90/753796490.db2.gz IOEIAFKVPUGMEK-DOTOQJQBSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001098466378 762262771 /nfs/dbraw/zinc/26/27/71/762262771.db2.gz ANLIINFEJJHWNQ-UHFFFAOYSA-N 2 0 307.438 0.247 20 30 DCEDRP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001047401610 754248830 /nfs/dbraw/zinc/24/88/30/754248830.db2.gz YVDXPZZSGZTPKH-JYJNAYRXSA-N 2 0 309.454 0.940 20 30 DCEDRP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001047439805 754283379 /nfs/dbraw/zinc/28/33/79/754283379.db2.gz SEEFDGSNHBPZLO-ULQDDVLXSA-N 2 0 321.465 0.634 20 30 DCEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001047446532 754289961 /nfs/dbraw/zinc/28/99/61/754289961.db2.gz HNIAJJZNUQYXPL-HOTGVXAUSA-N 2 0 312.373 0.475 20 30 DCEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)cnc3c2)[C@H](O)C1 ZINC001090262918 754838687 /nfs/dbraw/zinc/83/86/87/754838687.db2.gz APDVRBUOOZLBLZ-LSDHHAIUSA-N 2 0 314.389 0.994 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CCOC)C[C@@H]3C2)CC1 ZINC001049234323 755195937 /nfs/dbraw/zinc/19/59/37/755195937.db2.gz CWFGVRXWABCMTA-CALCHBBNSA-N 2 0 319.449 0.368 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001090355716 755666115 /nfs/dbraw/zinc/66/61/15/755666115.db2.gz RHXLGNFZTUYOIO-HOTGVXAUSA-N 2 0 319.449 0.437 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](C[C@H](C)O)C[C@H]32)CC1 ZINC001084851165 758082973 /nfs/dbraw/zinc/08/29/73/758082973.db2.gz PMVJBYFKPSHPQW-USXIJHARSA-N 2 0 319.449 0.245 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC#CC)C[C@H]32)CC1 ZINC001084850337 758085733 /nfs/dbraw/zinc/08/57/33/758085733.db2.gz WYDZPDGKKDZEDE-QZTJIDSGSA-N 2 0 313.445 0.888 20 30 DCEDRP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)C[C@@H]21 ZINC001084911425 758119462 /nfs/dbraw/zinc/11/94/62/758119462.db2.gz AXIBTNKXOSLPIN-OWCLPIDISA-N 2 0 307.438 0.816 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCO)CC1 ZINC001098461316 762677366 /nfs/dbraw/zinc/67/73/66/762677366.db2.gz WEADULWZPLCNHW-ZACQAIPSSA-N 2 0 319.449 0.436 20 30 DCEDRP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001085781853 759304114 /nfs/dbraw/zinc/30/41/14/759304114.db2.gz HALMPDDGENPJJF-JKSUJKDBSA-N 2 0 307.438 0.652 20 30 DCEDRP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001052571524 759498894 /nfs/dbraw/zinc/49/88/94/759498894.db2.gz GWJAPHDUADYYRS-LPMVOBIJSA-N 2 0 317.433 0.454 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2C[C@H](C)OC)CC1 ZINC001085987043 759547403 /nfs/dbraw/zinc/54/74/03/759547403.db2.gz RXSSVKNQIOVKQH-DOTOQJQBSA-N 2 0 321.465 0.899 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2C[C@H](C)OC)CC1 ZINC001085987045 759547525 /nfs/dbraw/zinc/54/75/25/759547525.db2.gz RXSSVKNQIOVKQH-RDJZCZTQSA-N 2 0 321.465 0.899 20 30 DCEDRP C=C(Br)C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147878093 767870265 /nfs/dbraw/zinc/87/02/65/767870265.db2.gz RQBBNQOFPSHDHR-LLVKDONJSA-N 2 0 304.232 0.943 20 30 DCEDRP C=CCOCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](O)C1 ZINC001100084172 760188853 /nfs/dbraw/zinc/18/88/53/760188853.db2.gz YCIRPECFDXVVEG-HUUCEWRRSA-N 2 0 313.442 0.082 20 30 DCEDRP C=CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370438 761097297 /nfs/dbraw/zinc/09/72/97/761097297.db2.gz UMSQTRVAAVBQBO-CABCVRRESA-N 2 0 320.441 0.538 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001070277174 761161442 /nfs/dbraw/zinc/16/14/42/761161442.db2.gz HXNHOIHYIQJQLM-RDBSUJKOSA-N 2 0 306.414 0.146 20 30 DCEDRP C#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001070435884 761236621 /nfs/dbraw/zinc/23/66/21/761236621.db2.gz UWMUFUAXIQJTRO-ZIAGYGMSSA-N 2 0 315.421 0.400 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001148636069 768027719 /nfs/dbraw/zinc/02/77/19/768027719.db2.gz REKAGQXQRWLLGI-UHFFFAOYSA-N 2 0 321.465 0.902 20 30 DCEDRP C#CCNCc1cn([C@@H]2CCN(C(=O)C[N@@H+](C)CCC)C2)nn1 ZINC001098774937 762729613 /nfs/dbraw/zinc/72/96/13/762729613.db2.gz VEJQPIRTXIJTEG-OAHLLOKOSA-N 2 0 318.425 0.116 20 30 DCEDRP C#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)COCC[NH+](C)C ZINC001099547532 762896256 /nfs/dbraw/zinc/89/62/56/762896256.db2.gz HEFUJMCHLYPXTR-YVSFHVDLSA-N 2 0 319.449 0.367 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129422966 762935036 /nfs/dbraw/zinc/93/50/36/762935036.db2.gz NYCHBQUYOIAACY-HNNXBMFYSA-N 2 0 322.453 0.401 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)CC[C@H]2CCC[N@H+]2C)C1=O ZINC001129842529 763022431 /nfs/dbraw/zinc/02/24/31/763022431.db2.gz ZKWCTKYUVCIUOB-HUUCEWRRSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100127576 763335981 /nfs/dbraw/zinc/33/59/81/763335981.db2.gz WZKNLSBILPIWKU-HZPDHXFCSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130711659 763451292 /nfs/dbraw/zinc/45/12/92/763451292.db2.gz ZSMGEXCOSFBXHJ-CQSZACIVSA-N 2 0 310.442 0.115 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130874650 763548002 /nfs/dbraw/zinc/54/80/02/763548002.db2.gz IINULADQASWELQ-LBPRGKRZSA-N 2 0 315.377 0.344 20 30 DCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131061653 763623088 /nfs/dbraw/zinc/62/30/88/763623088.db2.gz IUMVYLNQRBZKMK-HUUCEWRRSA-N 2 0 317.437 0.279 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cncn1C ZINC001131128201 763661475 /nfs/dbraw/zinc/66/14/75/763661475.db2.gz WOCRAQVTQGKVIH-HUUCEWRRSA-N 2 0 319.453 0.830 20 30 DCEDRP C#CCC[NH2+]C1CC(CNC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001100686774 763724797 /nfs/dbraw/zinc/72/47/97/763724797.db2.gz RHSNNUKOVTXSBU-KLAILNCOSA-N 2 0 321.465 0.995 20 30 DCEDRP CC#CC[NH2+]C1CC(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001100746054 763757420 /nfs/dbraw/zinc/75/74/20/763757420.db2.gz FIJHQMRVPDNXOD-UHFFFAOYSA-N 2 0 317.437 0.566 20 30 DCEDRP C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@H](C)O2 ZINC001131681681 763935115 /nfs/dbraw/zinc/93/51/15/763935115.db2.gz GIVZIMFDKLBZDZ-DOTOQJQBSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320702 764597176 /nfs/dbraw/zinc/59/71/76/764597176.db2.gz PEQIYNPFHBJOMS-QLFBSQMISA-N 2 0 324.469 0.313 20 30 DCEDRP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102601262 764719965 /nfs/dbraw/zinc/71/99/65/764719965.db2.gz ULMYXVYTTVOHHV-HUUCEWRRSA-N 2 0 324.469 0.313 20 30 DCEDRP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115122769 765597901 /nfs/dbraw/zinc/59/79/01/765597901.db2.gz BWEDNWBKKPOSEN-FICVDOATSA-N 2 0 305.422 0.331 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134783585 765672957 /nfs/dbraw/zinc/67/29/57/765672957.db2.gz ZRRFAMAORKHOIB-ZDUSSCGKSA-N 2 0 310.442 0.115 20 30 DCEDRP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124866658 768316007 /nfs/dbraw/zinc/31/60/07/768316007.db2.gz IINHFYDCAZPXHS-CABCVRRESA-N 2 0 324.469 0.600 20 30 DCEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001170842076 766043350 /nfs/dbraw/zinc/04/33/50/766043350.db2.gz NYDRCTDWJPEXEJ-OAHLLOKOSA-N 2 0 319.453 0.956 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135966258 766188671 /nfs/dbraw/zinc/18/86/71/766188671.db2.gz LRXSMTLCLFKQOA-HUUCEWRRSA-N 2 0 324.469 0.341 20 30 DCEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090572642 766326949 /nfs/dbraw/zinc/32/69/49/766326949.db2.gz HIZXXIRDAUKOHS-GJZGRUSLSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC001090693752 766484052 /nfs/dbraw/zinc/48/40/52/766484052.db2.gz VDRNSUKAYKYLQZ-DLBZAZTESA-N 2 0 321.465 0.682 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C[C@H]2O)CC1 ZINC001090830593 766649561 /nfs/dbraw/zinc/64/95/61/766649561.db2.gz NNVRQXMQKJRSCD-IAGOWNOFSA-N 2 0 319.449 0.293 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=C)C)C[C@H]2O)CC1 ZINC001090832007 766649735 /nfs/dbraw/zinc/64/97/35/766649735.db2.gz XSDXRKYAUMIYRF-DLBZAZTESA-N 2 0 319.449 0.459 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001119418711 766670919 /nfs/dbraw/zinc/67/09/19/766670919.db2.gz UFRLWGDZTJRAJF-HIFRSBDPSA-N 2 0 322.453 0.529 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120130351 766912102 /nfs/dbraw/zinc/91/21/02/766912102.db2.gz XJAUGHRXHXACQN-INIZCTEOSA-N 2 0 321.465 0.997 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001121695897 767621956 /nfs/dbraw/zinc/62/19/56/767621956.db2.gz DRGDGBIEEROLHX-UHFFFAOYSA-N 2 0 322.453 0.257 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC001121921872 767670072 /nfs/dbraw/zinc/67/00/72/767670072.db2.gz VQYQQBSUCJKQRE-MRXNPFEDSA-N 2 0 306.410 0.652 20 30 DCEDRP C=CCOCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001147212007 767675978 /nfs/dbraw/zinc/67/59/78/767675978.db2.gz LHVHQIYLXJFBBH-OAHLLOKOSA-N 2 0 307.438 0.818 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001122247425 767750786 /nfs/dbraw/zinc/75/07/86/767750786.db2.gz FWHSDDGHDYINBL-CABCVRRESA-N 2 0 307.463 0.685 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149855169 768886231 /nfs/dbraw/zinc/88/62/31/768886231.db2.gz WELANAGHRVMIFW-MRXNPFEDSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171585517 769316457 /nfs/dbraw/zinc/31/64/57/769316457.db2.gz XYUPBPPHNOYXKD-AWEZNQCLSA-N 2 0 312.458 0.505 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC[C@H]2CCCO2)CC1 ZINC001152324365 769527089 /nfs/dbraw/zinc/52/70/89/769527089.db2.gz SJWFUMKVBWUHTA-MRXNPFEDSA-N 2 0 307.438 0.607 20 30 DCEDRP N#Cc1ccc(F)cc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870118 769953535 /nfs/dbraw/zinc/95/35/35/769953535.db2.gz IDFOZODYYUBBTH-UHFFFAOYSA-N 2 0 305.401 0.282 20 30 DCEDRP CC#CC[NH+]1CCCO[C@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001150626804 770178983 /nfs/dbraw/zinc/17/89/83/770178983.db2.gz ZBPTUMJPVDUISY-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CCCN1CCO[C@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@H]21 ZINC001177124353 770327161 /nfs/dbraw/zinc/32/71/61/770327161.db2.gz JNUIYFAVOMAMRP-CVEARBPZSA-N 2 0 307.438 0.653 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001183240805 771627626 /nfs/dbraw/zinc/62/76/26/771627626.db2.gz UXZSPVAONFPSBV-DLBZAZTESA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183408947 771645337 /nfs/dbraw/zinc/64/53/37/771645337.db2.gz DJXSLJMNRCJIDX-JFIYKMOQSA-N 2 0 321.465 0.662 20 30 DCEDRP C[NH+]1CCC(C[NH+]2CCN(c3cnc(C#N)cn3)CC2)CC1 ZINC001157835375 771678466 /nfs/dbraw/zinc/67/84/66/771678466.db2.gz AFIKNRGFHQOCTF-UHFFFAOYSA-N 2 0 300.410 0.812 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001158411294 771769990 /nfs/dbraw/zinc/76/99/90/771769990.db2.gz BURRLUJDGKGSTE-QLFBSQMISA-N 2 0 324.469 0.503 20 30 DCEDRP C#C[C@](C)([NH3+])C(=O)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001159159581 771867987 /nfs/dbraw/zinc/86/79/87/771867987.db2.gz BLFNBGRFTUYOJP-BBRMVZONSA-N 2 0 307.438 0.875 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001185715874 771948722 /nfs/dbraw/zinc/94/87/22/771948722.db2.gz KUTCZGDXUNUMEA-MCIONIFRSA-N 2 0 310.442 0.208 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CCCC[N@H+]2C)C1=O ZINC001161042077 772156762 /nfs/dbraw/zinc/15/67/62/772156762.db2.gz NTUPPWLMPRRVCC-CABCVRRESA-N 2 0 322.453 0.354 20 30 DCEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001190222054 772602652 /nfs/dbraw/zinc/60/26/52/772602652.db2.gz YKTPATZCLKFODS-OAHLLOKOSA-N 2 0 317.437 0.614 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190237995 772609260 /nfs/dbraw/zinc/60/92/60/772609260.db2.gz GXWPAETYMXCMFG-OWCLPIDISA-N 2 0 307.438 0.509 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190655187 772658764 /nfs/dbraw/zinc/65/87/64/772658764.db2.gz ONONMHMGAUMYDP-HZPDHXFCSA-N 2 0 307.438 0.509 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165367087 772729251 /nfs/dbraw/zinc/72/92/51/772729251.db2.gz KOUFKQYKEHEQHC-UHFFFAOYSA-N 2 0 324.469 0.625 20 30 DCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001191431959 772768080 /nfs/dbraw/zinc/76/80/80/772768080.db2.gz XJJRJDYAUACXFH-LPMVOBIJSA-N 2 0 317.433 0.406 20 30 DCEDRP C#CCC[NH2+]CC1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001206698231 773099816 /nfs/dbraw/zinc/09/98/16/773099816.db2.gz HTLBZIPWMFMLLL-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207617031 773248597 /nfs/dbraw/zinc/24/85/97/773248597.db2.gz MNPOOPBJMQYMEN-IXDOHACOSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070277 773394322 /nfs/dbraw/zinc/39/43/22/773394322.db2.gz ICYFLERAMPUBNM-OWCLPIDISA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CCN1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001196164212 773549394 /nfs/dbraw/zinc/54/93/94/773549394.db2.gz YYSPRGGNVAGXOZ-INIZCTEOSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CCN1CCCN(C(=O)COC[C@H](C)[NH+]2CCCC2)CC1 ZINC001197195915 773712346 /nfs/dbraw/zinc/71/23/46/773712346.db2.gz MVCMGDZSKPFDPH-INIZCTEOSA-N 2 0 307.438 0.655 20 30 DCEDRP N#Cc1cnc(NC(=O)[C@H]([NH3+])CCC[NH3+])c(Br)c1 ZINC001218551744 774245108 /nfs/dbraw/zinc/24/51/08/774245108.db2.gz JQXYYOLDPNNICP-SECBINFHSA-N 2 0 312.171 0.720 20 30 DCEDRP C[C@]1(C(=O)Nc2sc3c(c2C#N)CC[NH2+]C3)CC[NH2+]C[C@H]1O ZINC001218553113 774246095 /nfs/dbraw/zinc/24/60/95/774246095.db2.gz NIUQZNOSLDEKJU-DOMZBBRYSA-N 2 0 320.418 0.564 20 30 DCEDRP N#Cc1c(NC(=O)[C@H]2C[NH2+]CC[C@H]2O)sc2c1CC[NH2+]C2 ZINC001218552465 774246301 /nfs/dbraw/zinc/24/63/01/774246301.db2.gz GNFQMLPQGBAYDT-WDEREUQCSA-N 2 0 306.391 0.174 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CCCO1 ZINC001200976413 774433215 /nfs/dbraw/zinc/43/32/15/774433215.db2.gz SRIFECZJFRCEES-MRXNPFEDSA-N 2 0 312.373 0.788 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCCO1 ZINC001201343387 774496538 /nfs/dbraw/zinc/49/65/38/774496538.db2.gz FCHKUEVPROMJRC-HZPDHXFCSA-N 2 0 309.454 0.803 20 30 DCEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC001219736781 774594235 /nfs/dbraw/zinc/59/42/35/774594235.db2.gz HHJALWAVDHZFKA-HUUCEWRRSA-N 2 0 314.389 0.443 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001202531776 774886328 /nfs/dbraw/zinc/88/63/28/774886328.db2.gz OJBKIOBEMAPHFY-ZFWWWQNUSA-N 2 0 324.469 0.598 20 30 DCEDRP C=C(C)CN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091738 774993285 /nfs/dbraw/zinc/99/32/85/774993285.db2.gz WFSGPBSEEZGIBH-PMPSAXMXSA-N 2 0 309.454 0.844 20 30 DCEDRP C#C[C@](C)([NH3+])C(=O)N1CCC([NH3+])(c2cccc(OC)c2)CC1 ZINC001221091923 774993959 /nfs/dbraw/zinc/99/39/59/774993959.db2.gz HUMDVGMIVBHUDQ-INIZCTEOSA-N 2 0 301.390 0.822 20 30 DCEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001095784534 775668800 /nfs/dbraw/zinc/66/88/00/775668800.db2.gz XMCDKDUBMDDJDJ-PXZCVYSUSA-N 2 0 317.433 0.757 20 30 DCEDRP COCC#CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001227444991 775974627 /nfs/dbraw/zinc/97/46/27/775974627.db2.gz YJKOCAWKMMQDNX-GDBMZVCRSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001114832354 776203060 /nfs/dbraw/zinc/20/30/60/776203060.db2.gz PYVBVDSAHVDORJ-AIANPOQGSA-N 2 0 307.438 0.577 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001114837808 776214554 /nfs/dbraw/zinc/21/45/54/776214554.db2.gz LSKAOHBKGYGTCM-QLPKVWCKSA-N 2 0 319.449 0.415 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001230138243 776257677 /nfs/dbraw/zinc/25/76/77/776257677.db2.gz LLMDODFNXYEHGN-ARFHVFGLSA-N 2 0 307.438 0.605 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC001041167703 777103799 /nfs/dbraw/zinc/10/37/99/777103799.db2.gz PUPQRBKKOFTLTL-NVXWUHKLSA-N 2 0 305.422 0.265 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC#CCOC ZINC001278024463 945101363 /nfs/dbraw/zinc/10/13/63/945101363.db2.gz FCUNGBDGNOLUBC-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CC[NH+](CCO)CC1 ZINC001278184710 945170197 /nfs/dbraw/zinc/17/01/97/945170197.db2.gz QVHXSYFTVUWERP-HNNXBMFYSA-N 2 0 307.438 0.247 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@H+](C)CCO)CC2)CC1 ZINC001317883992 945214414 /nfs/dbraw/zinc/21/44/14/945214414.db2.gz ITNAJIULQXULTQ-UHFFFAOYSA-N 2 0 321.465 0.494 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CN(CC)CCO1 ZINC001266247158 939025477 /nfs/dbraw/zinc/02/54/77/939025477.db2.gz DQOZMVRHWSNUQG-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001267372321 939438800 /nfs/dbraw/zinc/43/88/00/939438800.db2.gz LSCYWAVAYKYUEK-HUUCEWRRSA-N 2 0 324.469 0.598 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001267569266 939504308 /nfs/dbraw/zinc/50/43/08/939504308.db2.gz RVBLNTGASSZXBQ-DLBZAZTESA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2ccnn2C)CC1 ZINC001481320117 939746198 /nfs/dbraw/zinc/74/61/98/939746198.db2.gz VTCOJUXYBWBKNO-UHFFFAOYSA-N 2 0 317.437 0.313 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C[C@H](C)O)C(C)C)CC1 ZINC001481357404 939759173 /nfs/dbraw/zinc/75/91/73/939759173.db2.gz CGPIAWZXXRQAIA-INIZCTEOSA-N 2 0 323.481 0.929 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001268068351 939923295 /nfs/dbraw/zinc/92/32/95/939923295.db2.gz LJPKWOGCHMMSMX-UONOGXRCSA-N 2 0 324.469 0.598 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001268220023 939993692 /nfs/dbraw/zinc/99/36/92/939993692.db2.gz REPBFAUFKRADGV-HZPDHXFCSA-N 2 0 309.454 0.708 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001268329417 940062227 /nfs/dbraw/zinc/06/22/27/940062227.db2.gz UAJYOXOWGCZUNW-HZPDHXFCSA-N 2 0 303.406 0.379 20 30 DCEDRP C#CCC[NH2+]CCC1CCN(C(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001482007342 940205694 /nfs/dbraw/zinc/20/56/94/940205694.db2.gz ANMSTYSXTMICGZ-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCC[C@H](O)C[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246047758 945329357 /nfs/dbraw/zinc/32/93/57/945329357.db2.gz SWWITHSSOOACDW-HNLJFRNMSA-N 2 0 308.422 0.644 20 30 DCEDRP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CC#CCOC ZINC001269407768 940700755 /nfs/dbraw/zinc/70/07/55/940700755.db2.gz HXGMZLSKZRVOGI-HRCADAONSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001270112504 940837445 /nfs/dbraw/zinc/83/74/45/940837445.db2.gz GQESAORLJQSCPQ-GJZGRUSLSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001270436682 940900983 /nfs/dbraw/zinc/90/09/83/940900983.db2.gz QUFPJDROAWVNAD-KBPBESRZSA-N 2 0 310.442 0.115 20 30 DCEDRP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001270847734 941010664 /nfs/dbraw/zinc/01/06/64/941010664.db2.gz QGUCJOCKKWWOBO-AEFFLSMTSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001482438125 941221338 /nfs/dbraw/zinc/22/13/38/941221338.db2.gz BQHUGIKLWOEEEM-CABCVRRESA-N 2 0 324.469 0.455 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001483793371 942958092 /nfs/dbraw/zinc/95/80/92/942958092.db2.gz CNSFVCDKUDOLGV-UHFFFAOYSA-N 2 0 307.438 0.751 20 30 DCEDRP C#CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001483988616 943073480 /nfs/dbraw/zinc/07/34/80/943073480.db2.gz HTQFTOWIUKLTSK-HOTGVXAUSA-N 2 0 321.465 0.635 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001484619605 943480576 /nfs/dbraw/zinc/48/05/76/943480576.db2.gz KKOJPNJAVNVQTB-MRXNPFEDSA-N 2 0 307.438 0.703 20 30 DCEDRP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CC#CCOC)CC1)[NH+](C)C ZINC001484719345 943534120 /nfs/dbraw/zinc/53/41/20/943534120.db2.gz ZLFJSBSYIGLJJP-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001484721405 943539227 /nfs/dbraw/zinc/53/92/27/943539227.db2.gz GWKSUIQULSKQBM-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001484962943 943634269 /nfs/dbraw/zinc/63/42/69/943634269.db2.gz HEYTWUYJERDAAI-UHFFFAOYSA-N 2 0 309.454 0.685 20 30 DCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001485018260 943657093 /nfs/dbraw/zinc/65/70/93/943657093.db2.gz BINXIOPAJVSVPR-HUUCEWRRSA-N 2 0 307.438 0.293 20 30 DCEDRP CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001485644297 944061049 /nfs/dbraw/zinc/06/10/49/944061049.db2.gz OVRSYTYMQHOXAV-GDBMZVCRSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001317082644 944785343 /nfs/dbraw/zinc/78/53/43/944785343.db2.gz QMPBGAKMVAPZFB-RBSFLKMASA-N 2 0 322.453 0.400 20 30 DCEDRP C#CC[N@@H+](CCOC)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001277398928 944807435 /nfs/dbraw/zinc/80/74/35/944807435.db2.gz VUYGVYZHRZKAML-MRXNPFEDSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001486359005 944817164 /nfs/dbraw/zinc/81/71/64/944817164.db2.gz NPUOBJCFUGJEKI-MRXNPFEDSA-N 2 0 309.454 0.637 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001317396768 944954916 /nfs/dbraw/zinc/95/49/16/944954916.db2.gz QESKXMNZKGXNJL-HOTGVXAUSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001318555476 945401612 /nfs/dbraw/zinc/40/16/12/945401612.db2.gz NCISQHVLUNPCRV-AWEZNQCLSA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCN1CCN(C)C2(CC[NH+]([C@H]3CC[NH2+][C@H](C)C3)CC2)C1=O ZINC001246739019 945478296 /nfs/dbraw/zinc/47/82/96/945478296.db2.gz INYIJHRYXQPTDN-CVEARBPZSA-N 2 0 320.481 0.922 20 30 DCEDRP N#Cc1cccc(N2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246894287 945513234 /nfs/dbraw/zinc/51/32/34/945513234.db2.gz SZPGFKAPVWBDPO-QGZVFWFLSA-N 2 0 311.433 0.774 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001278543096 945652424 /nfs/dbraw/zinc/65/24/24/945652424.db2.gz XOHQSLGTOJBGOR-PBHICJAKSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001278565140 945659139 /nfs/dbraw/zinc/65/91/39/945659139.db2.gz MUSCRKZBFNSQJA-GJZGRUSLSA-N 2 0 317.437 0.566 20 30 DCEDRP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001320275114 945797503 /nfs/dbraw/zinc/79/75/03/945797503.db2.gz SZZUMKYPHYMEBP-XJKSGUPXSA-N 2 0 315.433 0.842 20 30 DCEDRP C#CCOC[C@@H](O)C[NH2+]Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001251885155 945809481 /nfs/dbraw/zinc/80/94/81/945809481.db2.gz OYWORPJNSSGSSP-SFHVURJKSA-N 2 0 317.433 0.539 20 30 DCEDRP CCN(CC[NH2+]CC#CCOC)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001320737772 946000306 /nfs/dbraw/zinc/00/03/06/946000306.db2.gz NTFCWSLVHMRFRR-INIZCTEOSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001273261117 946336007 /nfs/dbraw/zinc/33/60/07/946336007.db2.gz PTQXTRUAVIWCQH-CVEARBPZSA-N 2 0 305.422 0.169 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001322544013 946716991 /nfs/dbraw/zinc/71/69/91/946716991.db2.gz RTVQYPSDTUMRBA-CQSZACIVSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001279005297 946723106 /nfs/dbraw/zinc/72/31/06/946723106.db2.gz AIWZIEFBSPWHTB-CVEARBPZSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001325109700 947657635 /nfs/dbraw/zinc/65/76/35/947657635.db2.gz GSDCLDSQPBYXHE-SJLPKXTDSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CCN1C(=O)C[C@H]([N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)C1=O ZINC001262379722 947666484 /nfs/dbraw/zinc/66/64/84/947666484.db2.gz JYOCAZYRMVKKKR-XGUBFFRZSA-N 2 0 303.406 0.409 20 30 DCEDRP C#CCNC(=O)CC[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC001262569999 947729589 /nfs/dbraw/zinc/72/95/89/947729589.db2.gz KWPHDOCXWJWVMZ-KRWDZBQOSA-N 2 0 315.417 0.482 20 30 DCEDRP C=CCCN1CC(O)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001325318185 947755700 /nfs/dbraw/zinc/75/57/00/947755700.db2.gz IUCOLKBFOQZUOK-OAHLLOKOSA-N 2 0 309.454 0.846 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)[C@H]1C ZINC001179538871 947865333 /nfs/dbraw/zinc/86/53/33/947865333.db2.gz JPDGFWICRSSCND-JYJNAYRXSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001326080559 948044957 /nfs/dbraw/zinc/04/49/57/948044957.db2.gz SLGCOBBGVGTPDN-KRWDZBQOSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCO1 ZINC001326987938 948353591 /nfs/dbraw/zinc/35/35/91/948353591.db2.gz HIKULWDZCQCWFD-IAGOWNOFSA-N 2 0 319.449 0.844 20 30 DCEDRP C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001493129327 948611771 /nfs/dbraw/zinc/61/17/71/948611771.db2.gz AJBRRQKBNRQWII-LSDHHAIUSA-N 2 0 322.453 0.306 20 30 DCEDRP C=C[C@H](O)C[N@@H+]1CC[C@@]2(CCN(CCn3ccnc3)C2=O)C1 ZINC001273885803 948654978 /nfs/dbraw/zinc/65/49/78/948654978.db2.gz SBDVGLQRYOLVQB-GOEBONIOSA-N 2 0 304.394 0.354 20 30 DCEDRP CC#CC[N@H+](C)CCOCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001264106304 948886422 /nfs/dbraw/zinc/88/64/22/948886422.db2.gz WPRRCLCODCWZOC-KRWDZBQOSA-N 2 0 321.465 0.758 20 30 DCEDRP COCC#CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001328746439 949068255 /nfs/dbraw/zinc/06/82/55/949068255.db2.gz PORCTRFRDFCVBP-UHFFFAOYSA-N 2 0 316.405 0.360 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001488778330 949175116 /nfs/dbraw/zinc/17/51/16/949175116.db2.gz FIJHQMRVPDNXOD-FZNQNYSPSA-N 2 0 317.437 0.566 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001265378746 949643317 /nfs/dbraw/zinc/64/33/17/949643317.db2.gz RPPCFUFIKNKMLA-OAHLLOKOSA-N 2 0 305.422 0.216 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001265544307 949760117 /nfs/dbraw/zinc/76/01/17/949760117.db2.gz HFWBCCNXPNQAPU-YYIAUSFCSA-N 2 0 319.449 0.890 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265630872 949826631 /nfs/dbraw/zinc/82/66/31/949826631.db2.gz ROUDMCJOTHOWLE-LSDHHAIUSA-N 2 0 324.469 0.457 20 30 DCEDRP CCCC[C@H](C[NH2+]CC#CCOC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001329900787 949961110 /nfs/dbraw/zinc/96/11/10/949961110.db2.gz MHLYYHVBVYVKGG-HZPDHXFCSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1=O ZINC001265947441 950179168 /nfs/dbraw/zinc/17/91/68/950179168.db2.gz LLXFVOAFKVHOMW-LSDHHAIUSA-N 2 0 322.453 0.304 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCOCC=C)C2)CC1 ZINC001265947734 950181870 /nfs/dbraw/zinc/18/18/70/950181870.db2.gz WUGYEVWHIHXCBS-KRWDZBQOSA-N 2 0 319.449 0.725 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)CC#CCOC)C1 ZINC001266116212 950379373 /nfs/dbraw/zinc/37/93/73/950379373.db2.gz HKPFFXDFSQRLGP-MRXNPFEDSA-N 2 0 309.454 0.901 20 30 DCEDRP C#CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001330429123 950387730 /nfs/dbraw/zinc/38/77/30/950387730.db2.gz ZGSJUJGAYMXACH-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001280691017 951038555 /nfs/dbraw/zinc/03/85/55/951038555.db2.gz HSNIDGZCOFXPEI-MRXNPFEDSA-N 2 0 306.454 0.180 20 30 DCEDRP COCC#CCN1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001332199425 951517232 /nfs/dbraw/zinc/51/72/32/951517232.db2.gz OZQZLWKZWQDSBG-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001281637836 951570017 /nfs/dbraw/zinc/57/00/17/951570017.db2.gz YUOHDOWQLFFQHB-OAHLLOKOSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001332325686 951587767 /nfs/dbraw/zinc/58/77/67/951587767.db2.gz YVZKYJJQHNDRRU-JKSUJKDBSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCC[C@@H](O)C[N@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001274619745 951745133 /nfs/dbraw/zinc/74/51/33/951745133.db2.gz CJVNOPFRPYSRFP-WBVHZDCISA-N 2 0 309.454 0.942 20 30 DCEDRP C#CC[NH2+]C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C(C)(C)C ZINC001332872988 951831839 /nfs/dbraw/zinc/83/18/39/951831839.db2.gz DXMMLUZEVCQGLO-OAHLLOKOSA-N 2 0 319.453 0.812 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NCCC ZINC001274791647 951838415 /nfs/dbraw/zinc/83/84/15/951838415.db2.gz MDEXYIFZKQJIMM-ILXRZTDVSA-N 2 0 322.453 0.093 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001274893765 951876669 /nfs/dbraw/zinc/87/66/69/951876669.db2.gz BEJHVTLBLHFTHP-RDBSUJKOSA-N 2 0 310.442 0.113 20 30 DCEDRP COCC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001275828244 952483651 /nfs/dbraw/zinc/48/36/51/952483651.db2.gz VYHXDFFVABGFSL-HZPDHXFCSA-N 2 0 309.454 0.946 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001280793461 953040637 /nfs/dbraw/zinc/04/06/37/953040637.db2.gz KUZRCPRFIVLJIH-GJZGRUSLSA-N 2 0 324.469 0.552 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2(CO)CC[NH+](C(C)C)CC2)CC1 ZINC001281820440 953374215 /nfs/dbraw/zinc/37/42/15/953374215.db2.gz DWEGJFKTMLSVOB-UHFFFAOYSA-N 2 0 321.465 0.683 20 30 DCEDRP COCC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001282314789 953544392 /nfs/dbraw/zinc/54/43/92/953544392.db2.gz YPYXVXXFUHLWCT-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC#CCOC)C1 ZINC001491808179 959320696 /nfs/dbraw/zinc/32/06/96/959320696.db2.gz HWXLDSYOAQUPBP-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[N@@H+](C)CCOCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001316763125 960368894 /nfs/dbraw/zinc/36/88/94/960368894.db2.gz PGAUFFBKAJCKHZ-UHFFFAOYSA-N 2 0 309.454 0.758 20 30 DCEDRP C=C(Cl)C[NH2+][C@]1(CO)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001381056237 963787027 /nfs/dbraw/zinc/78/70/27/963787027.db2.gz SOEOEJBVZBUITN-OAHLLOKOSA-N 2 0 315.845 0.778 20 30 DCEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001371176207 966783556 /nfs/dbraw/zinc/78/35/56/966783556.db2.gz FWLWDNBFCHCBLZ-GFCCVEGCSA-N 2 0 313.833 0.905 20 30 DCEDRP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001392424672 991913631 /nfs/dbraw/zinc/91/36/31/991913631.db2.gz UNEQOFGFNWGGHE-HZPDHXFCSA-N 2 0 318.421 0.465 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCOCC1 ZINC001502642332 1016012535 /nfs/dbraw/zinc/01/25/35/1016012535.db2.gz VUNCWUURDMWGBD-HZPDHXFCSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+][C@H](C)COC)CC1 ZINC001507162943 1016043501 /nfs/dbraw/zinc/04/35/01/1016043501.db2.gz SVUDRTQENPXNNX-HUUCEWRRSA-N 2 0 309.454 0.803 20 30 DCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001502883662 1016116286 /nfs/dbraw/zinc/11/62/86/1016116286.db2.gz RWAVOSHSHFTANW-GJZGRUSLSA-N 2 0 309.454 0.846 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001502971000 1016140666 /nfs/dbraw/zinc/14/06/66/1016140666.db2.gz TYFDYSHSDARLGV-CVEARBPZSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001502971007 1016142259 /nfs/dbraw/zinc/14/22/59/1016142259.db2.gz TYFDYSHSDARLGV-JKSUJKDBSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001503003911 1016145524 /nfs/dbraw/zinc/14/55/24/1016145524.db2.gz UFBXVABOARCHOU-LSDHHAIUSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC#CC)[C@H]2C)CC1 ZINC001507300302 1016230298 /nfs/dbraw/zinc/23/02/98/1016230298.db2.gz ZMSOEDPBGWUZEJ-NVXWUHKLSA-N 2 0 301.434 0.934 20 30 DCEDRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001420186575 1001999023 /nfs/dbraw/zinc/99/90/23/1001999023.db2.gz BZZDUOIGJCLCNR-HZPDHXFCSA-N 2 0 316.405 0.077 20 30 DCEDRP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001507727944 1016555377 /nfs/dbraw/zinc/55/53/77/1016555377.db2.gz LEKBOJLCBYZUDZ-CVEARBPZSA-N 2 0 309.454 0.635 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001438993339 1006334584 /nfs/dbraw/zinc/33/45/84/1006334584.db2.gz JOPBZQIRHQSGBZ-CHWSQXEVSA-N 2 0 303.834 0.680 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001442975334 1009990897 /nfs/dbraw/zinc/99/08/97/1009990897.db2.gz QBGPUXWKBGLCAB-AWEZNQCLSA-N 2 0 310.442 0.163 20 30 DCEDRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC001422419566 1010055890 /nfs/dbraw/zinc/05/58/90/1010055890.db2.gz NSFFKHCFENCRKC-MRXNPFEDSA-N 2 0 318.421 0.465 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cnn(C)c1 ZINC001479511699 1017572818 /nfs/dbraw/zinc/57/28/18/1017572818.db2.gz UKQBVTBQNNTNRZ-JKSUJKDBSA-N 2 0 317.437 0.278 20 30 DCEDRP C[C@@H]1CN(C(=O)NCC#CC[NH+](C)C)CC[N@@H+]1CC(C)(C)O ZINC001479619979 1017605596 /nfs/dbraw/zinc/60/55/96/1017605596.db2.gz DLBFEGNLWQRRLJ-CQSZACIVSA-N 2 0 310.442 0.038 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001506882801 1017637435 /nfs/dbraw/zinc/63/74/35/1017637435.db2.gz GSKOAKMQCBBGCJ-XIRDDKMYSA-N 2 0 319.449 0.462 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CCC2CC2)CC1 ZINC001497117095 1017885591 /nfs/dbraw/zinc/88/55/91/1017885591.db2.gz FFJNKMRCJOICMY-INIZCTEOSA-N 2 0 307.438 0.198 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+][C@H](C)COC)C2CC2)CC1 ZINC001480066940 1018178580 /nfs/dbraw/zinc/17/85/80/1018178580.db2.gz SZWGXVPBYXUMEC-PBHICJAKSA-N 2 0 321.465 0.851 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C/C=C\CNC(=O)C[NH+]2CCCC2)C1=O ZINC001497751490 1018388500 /nfs/dbraw/zinc/38/85/00/1018388500.db2.gz ZLCQGHHEKRPHLL-JZIMQPMSSA-N 2 0 320.437 0.131 20 30 DCEDRP CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC#CCOC)C1)[NH+](C)C ZINC001480303977 1018413110 /nfs/dbraw/zinc/41/31/10/1018413110.db2.gz VKLBPXDUPCTJNJ-HOTGVXAUSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001500402541 1018441178 /nfs/dbraw/zinc/44/11/78/1018441178.db2.gz VGWCOJUMPSTFTR-DOTOQJQBSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CC[NH+]1CCC(C)(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001500462971 1018460576 /nfs/dbraw/zinc/46/05/76/1018460576.db2.gz RSWLYXPIDVXTHM-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001480708876 1018795648 /nfs/dbraw/zinc/79/56/48/1018795648.db2.gz HYKYVTDPCRFUEF-HUUCEWRRSA-N 2 0 324.469 0.646 20 30 DCEDRP CC#CC[NH2+][C@H](C)CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001480796409 1018920521 /nfs/dbraw/zinc/92/05/21/1018920521.db2.gz NKLDYFCGZVFZHI-CQSZACIVSA-N 2 0 305.426 0.566 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001494066471 1019959797 /nfs/dbraw/zinc/95/97/97/1019959797.db2.gz LRUFTKXIAZJRPQ-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[N@@H+](C)CC1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001494214115 1020080628 /nfs/dbraw/zinc/08/06/28/1020080628.db2.gz RTPIVUBBEXXQRX-MRXNPFEDSA-N 2 0 321.465 0.758 20 30 DCEDRP C[N@@H+]1CCC[C@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264114858 530062844 /nfs/dbraw/zinc/06/28/44/530062844.db2.gz SCGIWEGFIPFBKL-ZDUSSCGKSA-N 2 0 303.414 0.008 20 30 DCEDRP Cc1nccn1CCCNC(=[NH2+])NCCCN1CCOCC1 ZINC000264071797 238187719 /nfs/dbraw/zinc/18/77/19/238187719.db2.gz DLJJAKVSWKFQHD-UHFFFAOYSA-N 3 0 308.430 0.208 20 30 DCEDRP COc1ccc(CCNC(=[NH2+])NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000267463535 238224909 /nfs/dbraw/zinc/22/49/09/238224909.db2.gz VTHINBAVDWAQGC-HNNXBMFYSA-N 2 0 319.453 0.388 20 30 DCEDRP C[C@H](Cn1cccn1)[NH2+]CC#CC[NH2+][C@@H](C)Cn1cccn1 ZINC000276254766 238318947 /nfs/dbraw/zinc/31/89/47/238318947.db2.gz ABEHKOFMZODOAJ-IYBDPMFKSA-N 2 0 300.410 0.739 20 30 DCEDRP C[C@@H](CNC(=O)NC1CC[NH+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000329670785 396848023 /nfs/dbraw/zinc/84/80/23/396848023.db2.gz RVAWJYFJAKYUTL-AWEZNQCLSA-N 2 0 311.474 0.468 20 30 DCEDRP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736835 397436464 /nfs/dbraw/zinc/43/64/64/397436464.db2.gz MUVQAWDDVMTROG-IHRRRGAJSA-N 2 0 324.425 0.217 20 30 DCEDRP C#CCNC(=O)CC[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000491120721 397499855 /nfs/dbraw/zinc/49/98/55/397499855.db2.gz NARYLHXTTJFTIS-CVEARBPZSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000343734765 415700812 /nfs/dbraw/zinc/70/08/12/415700812.db2.gz DXPSYLFGVIOXNR-DZGCQCFKSA-N 2 0 322.453 0.352 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H](Oc2ccncc2)C1 ZINC000131708207 415929430 /nfs/dbraw/zinc/92/94/30/415929430.db2.gz ZNWJXWFYBJSFFJ-OCCSQVGLSA-N 2 0 318.377 0.935 20 30 DCEDRP C[NH+]1CCC(O)(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329513396 416172449 /nfs/dbraw/zinc/17/24/49/416172449.db2.gz LLAWEGQUOZTGAZ-CYBMUJFWSA-N 2 0 310.442 0.431 20 30 DCEDRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000330283770 416200242 /nfs/dbraw/zinc/20/02/42/416200242.db2.gz WNSDVTRUDAOKEN-INIZCTEOSA-N 2 0 323.485 0.610 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000329351516 416165724 /nfs/dbraw/zinc/16/57/24/416165724.db2.gz FKJXYPMGFQXKTJ-MRXNPFEDSA-N 2 0 323.485 0.776 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C(C)(C)CN2CC[NH+](CC)CC2)C1=O ZINC000451993798 417427759 /nfs/dbraw/zinc/42/77/59/417427759.db2.gz VDHOTSOBUIYKND-OAHLLOKOSA-N 2 0 308.470 0.779 20 30 DCEDRP C=CC[C@]1(C(=O)NCCCN2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000662758734 417894378 /nfs/dbraw/zinc/89/43/78/417894378.db2.gz SGOAXYQUQRCTQO-QGZVFWFLSA-N 2 0 308.470 0.829 20 30 DCEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N(C)CCc1cccs1 ZINC000261818735 276843731 /nfs/dbraw/zinc/84/37/31/276843731.db2.gz UEHLCHISRACATH-AWEZNQCLSA-N 2 0 321.494 0.798 20 30 DCEDRP C#CCN1CCN(C(=O)CN(CC)CC[N@H+](C)CC=C)CC1 ZINC000491753041 333191394 /nfs/dbraw/zinc/19/13/94/333191394.db2.gz XWAHVRVNUWBIBU-UHFFFAOYSA-N 2 0 306.454 0.204 20 30 DCEDRP C[NH+](C)CCCN1C(=O)C[C@H]([NH+]2CCC(CC#N)CC2)C1=O ZINC000542835800 341022692 /nfs/dbraw/zinc/02/26/92/341022692.db2.gz UQZDJVXDWLJQJT-AWEZNQCLSA-N 2 0 306.410 0.691 20 30 DCEDRP C[NH+]=C(NCc1ccnc(N2CC[NH+](C)CC2)c1)NC1CC1 ZINC000264062196 526386563 /nfs/dbraw/zinc/38/65/63/526386563.db2.gz PYWZZQMNVJYSCB-UHFFFAOYSA-N 2 0 302.426 0.661 20 30 DCEDRP C=CCNC(=[NH2+])NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000264110577 526387915 /nfs/dbraw/zinc/38/79/15/526387915.db2.gz QRSONFQPFVEGRZ-UHFFFAOYSA-N 2 0 303.410 0.568 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000262236996 526419848 /nfs/dbraw/zinc/41/98/48/526419848.db2.gz KQUJPNSPZNECOP-UHFFFAOYSA-N 2 0 317.437 0.728 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000187153461 526432269 /nfs/dbraw/zinc/43/22/69/526432269.db2.gz JLFHPOWUQFWVTC-UHFFFAOYSA-N 2 0 310.442 0.658 20 30 DCEDRP C=CCN(CCOC)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000682868393 548433159 /nfs/dbraw/zinc/43/31/59/548433159.db2.gz IPKJNHRSYZFUJH-OAHLLOKOSA-N 2 0 324.469 0.999 20 30 DCEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001027686836 660620425 /nfs/dbraw/zinc/62/04/25/660620425.db2.gz XWBFFYDNAWGFNB-CVEARBPZSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001028094275 661154262 /nfs/dbraw/zinc/15/42/62/661154262.db2.gz WJWKACRCKRMIDD-HZPDHXFCSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001028193679 661269783 /nfs/dbraw/zinc/26/97/83/661269783.db2.gz YALCFAUSBJMLEU-OAHLLOKOSA-N 2 0 303.410 0.272 20 30 DCEDRP C=CC[NH+]1CCC2(CC1)CN(C(=O)C[NH+]1CCCC1)CCO2 ZINC000949244356 657489803 /nfs/dbraw/zinc/48/98/03/657489803.db2.gz CQCXVARSWTTWMM-UHFFFAOYSA-N 2 0 307.438 0.962 20 30 DCEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2cc(CN(C)C)on2)C[C@H]1C ZINC000947471374 657824258 /nfs/dbraw/zinc/82/42/58/657824258.db2.gz BJCXLTBDWGNSOB-OLZOCXBDSA-N 2 0 304.394 0.952 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC000970717224 657825529 /nfs/dbraw/zinc/82/55/29/657825529.db2.gz LTFOEGIEURRRLP-HUUCEWRRSA-N 2 0 320.437 0.060 20 30 DCEDRP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001023448943 657875004 /nfs/dbraw/zinc/87/50/04/657875004.db2.gz BVYCIYAFGNAYOD-CABCVRRESA-N 2 0 300.406 0.907 20 30 DCEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000998895323 665545670 /nfs/dbraw/zinc/54/56/70/665545670.db2.gz YWDFMJPRMDQPSI-BDVYOWHSSA-N 2 0 319.449 0.842 20 30 DCEDRP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972673925 658223406 /nfs/dbraw/zinc/22/34/06/658223406.db2.gz MCOPTAXXQQDRAK-NVXWUHKLSA-N 2 0 307.438 0.818 20 30 DCEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000970168513 658683761 /nfs/dbraw/zinc/68/37/61/658683761.db2.gz BYNHUJXMJMCWLC-GEMJLEDKSA-N 2 0 319.449 0.862 20 30 DCEDRP C#CC[NH2+]C1CC(N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000999537044 665653618 /nfs/dbraw/zinc/65/36/18/665653618.db2.gz AFXUBHSCYJNCPP-UHFFFAOYSA-N 2 0 303.410 0.271 20 30 DCEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025799059 659565397 /nfs/dbraw/zinc/56/53/97/659565397.db2.gz REMFUFQRYVSGAC-AALSBFMBSA-N 2 0 305.422 0.472 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001028547254 661604814 /nfs/dbraw/zinc/60/48/14/661604814.db2.gz PIVADRVBBBDWDH-HNNXBMFYSA-N 2 0 317.437 0.520 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001028859862 661854229 /nfs/dbraw/zinc/85/42/29/661854229.db2.gz JJHNSFXNUHDBJA-HNNXBMFYSA-N 2 0 317.437 0.520 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC000987164208 662650078 /nfs/dbraw/zinc/65/00/78/662650078.db2.gz AMPSZJUZVKSGSZ-ZFWWWQNUSA-N 2 0 303.410 0.271 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014476203 662989332 /nfs/dbraw/zinc/98/93/32/662989332.db2.gz ZGPYBGSYWNISPZ-CQSZACIVSA-N 2 0 303.410 0.272 20 30 DCEDRP C#CCC[NH+]1CCC(NC(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000900798843 663281364 /nfs/dbraw/zinc/28/13/64/663281364.db2.gz PYJKKEQZUQXCRZ-UHFFFAOYSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H](C)COC)CC1 ZINC001032800576 665968110 /nfs/dbraw/zinc/96/81/10/665968110.db2.gz OFRKUFUUPNRIGC-PVAVHDDUSA-N 2 0 319.449 0.652 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000908436345 663755352 /nfs/dbraw/zinc/75/53/52/663755352.db2.gz QIBZHVAJGCLGMS-UHFFFAOYSA-N 2 0 322.497 0.864 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000914098092 664749454 /nfs/dbraw/zinc/74/94/54/664749454.db2.gz URRKIQFSEFUCHB-UHFFFAOYSA-N 2 0 322.453 0.496 20 30 DCEDRP C#CCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031727830 665346835 /nfs/dbraw/zinc/34/68/35/665346835.db2.gz VSPNOIJOJSKXMD-QGZVFWFLSA-N 2 0 319.449 0.701 20 30 DCEDRP CC#CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001002875636 666238411 /nfs/dbraw/zinc/23/84/11/666238411.db2.gz ONBKXDCSGZBVCG-HZPDHXFCSA-N 2 0 305.422 0.454 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000922629693 666498723 /nfs/dbraw/zinc/49/87/23/666498723.db2.gz YLNHDRXZKLMNRT-LSDHHAIUSA-N 2 0 324.494 0.821 20 30 DCEDRP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034318691 666988279 /nfs/dbraw/zinc/98/82/79/666988279.db2.gz DVUPJXKXMJTKHE-GARNVTTQSA-N 2 0 317.433 0.454 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CCO)C2)CC1 ZINC001034539143 667064857 /nfs/dbraw/zinc/06/48/57/667064857.db2.gz VYVLNKKGJOOJMW-MRXNPFEDSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CC[NH+](CCO)CC2)CC1 ZINC000997435551 667286856 /nfs/dbraw/zinc/28/68/56/667286856.db2.gz VFMFNSFKYAEQED-OAHLLOKOSA-N 2 0 321.465 0.541 20 30 DCEDRP C[NH+](C)C[C@@H]1CN(c2ccc(C#N)c(N)n2)C[C@H]1C[NH+](C)C ZINC000866009951 667360250 /nfs/dbraw/zinc/36/02/50/667360250.db2.gz AQFXVQDNPNEPTB-ZIAGYGMSSA-N 2 0 302.426 0.711 20 30 DCEDRP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C[NH+]1CCCC1 ZINC000884195652 667495006 /nfs/dbraw/zinc/49/50/06/667495006.db2.gz VFVKHXVSIAZFKN-HCEZTOJASA-N 2 0 304.438 0.974 20 30 DCEDRP C#CCN1CCC[C@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000884197728 667495828 /nfs/dbraw/zinc/49/58/28/667495828.db2.gz CRELHUYXIZJVMJ-CABCVRRESA-N 2 0 304.438 0.868 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC([NH3+])(CC)CC2)CC1 ZINC000884643058 667581098 /nfs/dbraw/zinc/58/10/98/667581098.db2.gz WCIUCGZGZSEVPU-UHFFFAOYSA-N 2 0 322.453 0.483 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000884642476 667581317 /nfs/dbraw/zinc/58/13/17/667581317.db2.gz KFGGIKAHIPQACB-HUUCEWRRSA-N 2 0 320.437 0.106 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000876780041 668509467 /nfs/dbraw/zinc/50/94/67/668509467.db2.gz BGLFIELPWHFAFE-STQMWFEESA-N 2 0 302.850 0.599 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000876801488 668513991 /nfs/dbraw/zinc/51/39/91/668513991.db2.gz DGFDCQRTMKIUKJ-JLLWLGSASA-N 2 0 312.295 0.933 20 30 DCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000876869302 668524144 /nfs/dbraw/zinc/52/41/44/668524144.db2.gz DMWWYIQKEOFIKW-GDBMZVCRSA-N 2 0 314.389 0.240 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877329641 668602831 /nfs/dbraw/zinc/60/28/31/668602831.db2.gz WXYUGQKJHIHGPG-HNNXBMFYSA-N 2 0 305.422 0.264 20 30 DCEDRP N#Cc1cc(C[NH+]2CC[C@H](O)C2)cc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000878053959 668675781 /nfs/dbraw/zinc/67/57/81/668675781.db2.gz VWYNZTJZJIUIOA-IRXDYDNUSA-N 2 0 301.390 0.691 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000948825395 670187953 /nfs/dbraw/zinc/18/79/53/670187953.db2.gz CSJQNFYUUKYYRZ-SJORKVTESA-N 2 0 319.449 0.655 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](CCOC)CC2)CC1 ZINC001006437474 670200662 /nfs/dbraw/zinc/20/06/62/670200662.db2.gz DLWVIDPNSIRNET-UHFFFAOYSA-N 2 0 321.465 0.901 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N[C@@]1(C)CCN(C(=O)C(=C)C[NH+](C)C)C1 ZINC000854504150 670579073 /nfs/dbraw/zinc/57/90/73/670579073.db2.gz UOBQWDKQDXODMQ-KRWDZBQOSA-N 2 0 322.453 0.329 20 30 DCEDRP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000848421116 670679666 /nfs/dbraw/zinc/67/96/66/670679666.db2.gz AVZDWUKOAQJUOP-CYBMUJFWSA-N 2 0 317.393 0.725 20 30 DCEDRP C[C@@H]1C[N@@H+](CCCCNC(=O)C#CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000852861409 671177340 /nfs/dbraw/zinc/17/73/40/671177340.db2.gz UTJKKGHRHNFPBK-IYBDPMFKSA-N 2 0 321.465 0.995 20 30 DCEDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000832281082 671713166 /nfs/dbraw/zinc/71/31/66/671713166.db2.gz SDLPUUOKMRCZTF-HUUCEWRRSA-N 2 0 303.410 0.890 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1CCC[C@@H]1NC(=O)C(=C)C[NH+](C)C ZINC000834407368 671758684 /nfs/dbraw/zinc/75/86/84/671758684.db2.gz RHFYWIHLYOPSER-GJZGRUSLSA-N 2 0 322.453 0.376 20 30 DCEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000841849935 671959987 /nfs/dbraw/zinc/95/99/87/671959987.db2.gz QDABKUWYAGFTJO-LSDHHAIUSA-N 2 0 311.389 0.831 20 30 DCEDRP [NH2+]=C(NCCCN1CCOCC1)NCC[NH+]1CCCCCC1 ZINC000303877653 685207464 /nfs/dbraw/zinc/20/74/64/685207464.db2.gz FMLIMHJLMOPKLI-UHFFFAOYSA-N 2 0 311.474 0.489 20 30 DCEDRP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303883922 685208027 /nfs/dbraw/zinc/20/80/27/685208027.db2.gz IWSWNIVVFXAHRE-OAHLLOKOSA-N 2 0 311.474 0.345 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)N1CC[NH+](C)CC1 ZINC000303981581 685209355 /nfs/dbraw/zinc/20/93/55/685209355.db2.gz PHEXJGWILQSQKX-GJZGRUSLSA-N 3 0 310.490 0.011 20 30 DCEDRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=[NH2+])NCC1CCC1 ZINC000303976701 685209459 /nfs/dbraw/zinc/20/94/59/685209459.db2.gz KJZSOAYTLBTHTQ-AWEZNQCLSA-N 2 0 309.458 0.634 20 30 DCEDRP C#CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958174897 687405718 /nfs/dbraw/zinc/40/57/18/687405718.db2.gz IXRHPMWFORYEOX-HOTGVXAUSA-N 2 0 319.449 0.295 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958215588 687447683 /nfs/dbraw/zinc/44/76/83/687447683.db2.gz XFOMJZVHJUKHFF-CVEARBPZSA-N 2 0 321.465 0.990 20 30 DCEDRP C=CC[N@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](O)C1 ZINC000958344731 687564207 /nfs/dbraw/zinc/56/42/07/687564207.db2.gz JLFLGRMVMXCMMX-ZIAGYGMSSA-N 2 0 307.394 0.550 20 30 DCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000963809132 689098154 /nfs/dbraw/zinc/09/81/54/689098154.db2.gz VAZOJOSJTDPDEW-LMBQMVEXSA-N 2 0 301.434 0.978 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2C[C@H](C)OC)CC1 ZINC001039042220 694284283 /nfs/dbraw/zinc/28/42/83/694284283.db2.gz NRBUNUFIMRDLMT-GOEBONIOSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2C[C@H]2CCOC2)CC1 ZINC001039042880 694284344 /nfs/dbraw/zinc/28/43/44/694284344.db2.gz YJZKOBOYIAZNND-NVXWUHKLSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001016627076 692734740 /nfs/dbraw/zinc/73/47/40/692734740.db2.gz IYUQZXCUKPOTBF-HOTGVXAUSA-N 2 0 301.434 0.932 20 30 DCEDRP C#CC[NH2+]CCCOCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001571353596 1162715827 /nfs/dbraw/zinc/71/58/27/1162715827.db2.gz CPEPTCIMXMPAFC-JKSUJKDBSA-N 2 0 307.438 0.749 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001571460862 1162769658 /nfs/dbraw/zinc/76/96/58/1162769658.db2.gz CQGARRYINAODCF-ZIAGYGMSSA-N 2 0 322.453 0.209 20 30 DCEDRP CC[C@H](C(=O)N1C[C@@H]([NH2+]CC#CCOC)C(C)(C)C1)[NH+](C)C ZINC001571566668 1162812669 /nfs/dbraw/zinc/81/26/69/1162812669.db2.gz XMJPCKYCSDNJOB-HUUCEWRRSA-N 2 0 309.454 0.803 20 30 DCEDRP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001571603197 1162853347 /nfs/dbraw/zinc/85/33/47/1162853347.db2.gz WCHHTWOEAQBIGQ-SJORKVTESA-N 2 0 323.481 0.881 20 30 DCEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001670557620 1157461910 /nfs/dbraw/zinc/46/19/10/1157461910.db2.gz VRALWBGCCBOYAM-HOCLYGCPSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001691170634 1157604429 /nfs/dbraw/zinc/60/44/29/1157604429.db2.gz DSBXZLXJWPXIDD-HZPDHXFCSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001691352525 1157650701 /nfs/dbraw/zinc/65/07/01/1157650701.db2.gz ZNVGYCPJCWEXGS-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1cnn(C)c1 ZINC001691707324 1158913172 /nfs/dbraw/zinc/91/31/72/1158913172.db2.gz NLVYYQZUFPUKHA-JKSUJKDBSA-N 2 0 319.453 0.832 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001565890280 1159920524 /nfs/dbraw/zinc/92/05/24/1159920524.db2.gz GCHHOGGHLAXLDS-XHSDSOJGSA-N 2 0 307.438 0.605 20 30 DCEDRP COCC#CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001566692959 1160131360 /nfs/dbraw/zinc/13/13/60/1160131360.db2.gz NJILJAYJESTFFA-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001566881593 1160176300 /nfs/dbraw/zinc/17/63/00/1160176300.db2.gz WWZAADOXQZBLTP-LSDHHAIUSA-N 2 0 322.453 0.069 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001566881592 1160177066 /nfs/dbraw/zinc/17/70/66/1160177066.db2.gz WWZAADOXQZBLTP-HUUCEWRRSA-N 2 0 322.453 0.069 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001567130305 1160250734 /nfs/dbraw/zinc/25/07/34/1160250734.db2.gz HGOFAZKSNMICLD-MRXNPFEDSA-N 2 0 319.449 0.703 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001569081346 1160937356 /nfs/dbraw/zinc/93/73/56/1160937356.db2.gz IUHGHSAYSLHQNO-KBPBESRZSA-N 2 0 324.469 0.197 20 30 DCEDRP CC#CC[NH2+]C[C@@H](NC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001569323955 1161013052 /nfs/dbraw/zinc/01/30/52/1161013052.db2.gz NAKGHPZFRJNYRL-MRXNPFEDSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC#CC)CC1 ZINC001569596402 1161162414 /nfs/dbraw/zinc/16/24/14/1161162414.db2.gz ZHIZUBYFKHQMHI-INIZCTEOSA-N 2 0 301.434 0.888 20 30 DCEDRP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001569899872 1161304556 /nfs/dbraw/zinc/30/45/56/1161304556.db2.gz DBAVSTLRAOGJMV-SFHVURJKSA-N 2 0 321.465 0.685 20 30 DCEDRP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001569968798 1161360932 /nfs/dbraw/zinc/36/09/32/1161360932.db2.gz OTUBYXUUEASMSA-HOTGVXAUSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCC[NH2+]CC1(NC(=O)C[N@@H+](C)C2CCC2)CCOCC1 ZINC001570301731 1161554762 /nfs/dbraw/zinc/55/47/62/1161554762.db2.gz CQDAXEBYNXGMOF-UHFFFAOYSA-N 2 0 307.438 0.749 20 30 DCEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CC23CCOCC3)CC1 ZINC001574584095 1163733686 /nfs/dbraw/zinc/73/36/86/1163733686.db2.gz VYSNMOUJOILJJY-HNNXBMFYSA-N 2 0 305.422 0.359 20 30 DCEDRP CCN(CCC#N)C(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001577710847 1164770952 /nfs/dbraw/zinc/77/09/52/1164770952.db2.gz DWNHFVHMNMZTDO-CQSZACIVSA-N 2 0 308.426 0.578 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001656204487 1173851105 /nfs/dbraw/zinc/85/11/05/1173851105.db2.gz XKLBFZVKNLQROT-HDJSIYSDSA-N 2 0 322.453 0.257 20 30 DCEDRP C=CC[NH+]1CCN(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001660925310 1174069732 /nfs/dbraw/zinc/06/97/32/1174069732.db2.gz JSSLASOMGASERN-MRXNPFEDSA-N 2 0 308.470 0.781 20 30 DCEDRP C=CC[NH+]1CCN(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001660930960 1174071230 /nfs/dbraw/zinc/07/12/30/1174071230.db2.gz WTSYGFURHWPNKX-DLBZAZTESA-N 2 0 320.481 0.923 20 30 DCEDRP CCC[N@@H+](CC#CCOC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001663683685 1174343278 /nfs/dbraw/zinc/34/32/78/1174343278.db2.gz BFGVKQKRFLWSRS-MRXNPFEDSA-N 2 0 309.454 0.806 20 30 DCEDRP C=CCOCC[NH2+]CCN(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001664023709 1174385511 /nfs/dbraw/zinc/38/55/11/1174385511.db2.gz UIKZIMFCHKMSQT-CQSZACIVSA-N 2 0 306.410 0.696 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001665788993 1174563572 /nfs/dbraw/zinc/56/35/72/1174563572.db2.gz TYYZVWBLYLYWAC-LSDHHAIUSA-N 2 0 322.453 0.115 20 30 DCEDRP COCC#CC[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCC1 ZINC001665948330 1174576190 /nfs/dbraw/zinc/57/61/90/1174576190.db2.gz QVLPNLAPEVBASY-MRXNPFEDSA-N 2 0 321.465 0.997 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001669139434 1174899665 /nfs/dbraw/zinc/89/96/65/1174899665.db2.gz ONHUMHSOVLMKTD-WSNITJDQSA-N 2 0 320.437 0.035 20 30 DCEDRP C#CC[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001672816377 1175154677 /nfs/dbraw/zinc/15/46/77/1175154677.db2.gz QREQZAOBAJLLGW-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001673700453 1175225855 /nfs/dbraw/zinc/22/58/55/1175225855.db2.gz XWKSUDJEGGLLSI-DOTOQJQBSA-N 2 0 307.438 0.295 20 30 DCEDRP COCC#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001673946978 1175242926 /nfs/dbraw/zinc/24/29/26/1175242926.db2.gz UTHXLWRFCOQVHF-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001674687355 1175291039 /nfs/dbraw/zinc/29/10/39/1175291039.db2.gz PCNMIVPECKQWQA-HOTGVXAUSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCOCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001674925893 1175308349 /nfs/dbraw/zinc/30/83/49/1175308349.db2.gz REKGTSQHZJUBOA-HOCLYGCPSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CCOCC)CC1 ZINC001675048334 1175321645 /nfs/dbraw/zinc/32/16/45/1175321645.db2.gz DIAIJLSJIHVKKT-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001675827686 1175393651 /nfs/dbraw/zinc/39/36/51/1175393651.db2.gz MGACCSULUOLGGE-BZUAXINKSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CCCOC)C2)CC1 ZINC001675832204 1175393744 /nfs/dbraw/zinc/39/37/44/1175393744.db2.gz FNHBGAPPWUFJTH-JCNLHEQBSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCOC)C(C)(C)C2)CC1 ZINC001677042891 1175514933 /nfs/dbraw/zinc/51/49/33/1175514933.db2.gz JQTFEXBVQDZJQB-MRXNPFEDSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001677168204 1175543006 /nfs/dbraw/zinc/54/30/06/1175543006.db2.gz AQMJNWBMRQGDCI-IAGOWNOFSA-N 2 0 323.481 0.883 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001677423432 1175563509 /nfs/dbraw/zinc/56/35/09/1175563509.db2.gz HPWUHPUTSKTKLT-UHFFFAOYSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CCC[NH2+]CCOCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001677488576 1175569382 /nfs/dbraw/zinc/56/93/82/1175569382.db2.gz NJTVCHRGKCTJAY-MRXNPFEDSA-N 2 0 307.438 0.416 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001691758163 1175688802 /nfs/dbraw/zinc/68/88/02/1175688802.db2.gz UUEQMRMJWSUILT-HRCADAONSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COC1CC[NH+](C)CC1 ZINC001683859324 1175974054 /nfs/dbraw/zinc/97/40/54/1175974054.db2.gz IEXCBGDFEBPEFN-CVEARBPZSA-N 2 0 319.449 0.796 20 30 DCEDRP C=CCN1CC[C@H]([N@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001689793582 1177045176 /nfs/dbraw/zinc/04/51/76/1177045176.db2.gz PIWVQCFMHKXOTR-CABCVRRESA-N 2 0 322.453 0.306 20 30 DCEDRP C=CC[NH+]1CCN(CCNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001690079407 1177164807 /nfs/dbraw/zinc/16/48/07/1177164807.db2.gz FONVOZRWLBXRLA-UHFFFAOYSA-N 2 0 324.469 0.017 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)CC[NH+](C)C ZINC001690908494 1177346759 /nfs/dbraw/zinc/34/67/59/1177346759.db2.gz ZGWRMSZCYHSERU-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001692221477 1177450300 /nfs/dbraw/zinc/45/03/00/1177450300.db2.gz QSEGMHKSCSGPQD-OAGGEKHMSA-N 2 0 307.438 0.557 20 30 DCEDRP CC#CC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001698755451 1177636793 /nfs/dbraw/zinc/63/67/93/1177636793.db2.gz OXFJXONCHHCLMN-OAHLLOKOSA-N 2 0 309.454 0.710 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)C1([NH+](C)C)CCC1 ZINC001699184506 1177921805 /nfs/dbraw/zinc/92/18/05/1177921805.db2.gz NPXMPNOXIJZPTQ-CQSZACIVSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]C[C@H](C)OC)CC1 ZINC001699220310 1177950939 /nfs/dbraw/zinc/95/09/39/1177950939.db2.gz PZRAAYBINYJZSI-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001699782331 1178285507 /nfs/dbraw/zinc/28/55/07/1178285507.db2.gz DOFZQIZCFZXZHR-OAHLLOKOSA-N 2 0 321.465 0.635 20 30 DCEDRP C#CC[NH2+]C1CCN(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001699992974 1178410931 /nfs/dbraw/zinc/41/09/31/1178410931.db2.gz YLDXKRLZNNHKOP-KRWDZBQOSA-N 2 0 320.481 0.664 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001700319728 1178580902 /nfs/dbraw/zinc/58/09/02/1178580902.db2.gz DTWIIEIKSHVFAH-HUUCEWRRSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CC[N@H+]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001700577444 1178665915 /nfs/dbraw/zinc/66/59/15/1178665915.db2.gz YASHNOMOLJJBLX-HNNXBMFYSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001700965618 1178846215 /nfs/dbraw/zinc/84/62/15/1178846215.db2.gz YKXJBUOUDBKPBO-IAGOWNOFSA-N 2 0 323.481 0.881 20 30 DCEDRP CC#CC[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001707227322 1180441860 /nfs/dbraw/zinc/44/18/60/1180441860.db2.gz SXYCVMMCKPZKND-HZPDHXFCSA-N 2 0 309.454 0.757 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001713321452 1180767493 /nfs/dbraw/zinc/76/74/93/1180767493.db2.gz PFIPBLMLNMNNDI-JKSUJKDBSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001713328498 1180769102 /nfs/dbraw/zinc/76/91/02/1180769102.db2.gz QHIXMLQDTFGRLD-UONOGXRCSA-N 2 0 322.453 0.093 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001714279654 1181305419 /nfs/dbraw/zinc/30/54/19/1181305419.db2.gz XSGFGLFBPRGUNL-HUUCEWRRSA-N 2 0 322.453 0.095 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCCC1 ZINC001714513627 1181397807 /nfs/dbraw/zinc/39/78/07/1181397807.db2.gz IDVIFUIFYFIXEC-UHFFFAOYSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CC=C(C)C)CC1 ZINC001715614424 1181900069 /nfs/dbraw/zinc/90/00/69/1181900069.db2.gz JMTOPDGOFNKGJJ-MRXNPFEDSA-N 2 0 307.438 0.365 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001716008332 1182143163 /nfs/dbraw/zinc/14/31/63/1182143163.db2.gz FVCAAMXBQOWPQU-KBPBESRZSA-N 2 0 310.442 0.257 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001716926111 1182581847 /nfs/dbraw/zinc/58/18/47/1182581847.db2.gz LEAHIAUGEVITOI-SJLPKXTDSA-N 2 0 321.465 0.826 20 30 DCEDRP C=CCOCC[NH+]1C[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]2C1 ZINC001717013998 1182622370 /nfs/dbraw/zinc/62/23/70/1182622370.db2.gz ZZMCKWVAPABQFW-IYBDPMFKSA-N 2 0 309.454 0.921 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001717253338 1182750248 /nfs/dbraw/zinc/75/02/48/1182750248.db2.gz YBJZWNJGCRDBHK-GOSISDBHSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001717353975 1182799256 /nfs/dbraw/zinc/79/92/56/1182799256.db2.gz IQKJVMGDQUVXNV-UHFFFAOYSA-N 2 0 307.438 0.439 20 30 DCEDRP C#CC[NH2+]CCCOC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001717519407 1182879372 /nfs/dbraw/zinc/87/93/72/1182879372.db2.gz XKTIWDVAMIHKJQ-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CC[NH2+]C1(CNC(=O)[C@@H]2CN(CC)CCO2)CCOCC1 ZINC001724370617 1184414830 /nfs/dbraw/zinc/41/48/30/1184414830.db2.gz VMVSLKSTMUOKTA-AWEZNQCLSA-N 2 0 311.426 0.148 20 30 DCEDRP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001724428328 1184440090 /nfs/dbraw/zinc/44/00/90/1184440090.db2.gz VHEIIZLVIJVREE-RDJZCZTQSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001724901937 1184610071 /nfs/dbraw/zinc/61/00/71/1184610071.db2.gz GVUMCJXKCLGHIW-SJLPKXTDSA-N 2 0 319.449 0.295 20 30 DCEDRP CCCC[C@@H](C[NH2+]CC#CCOC)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001725233954 1184731104 /nfs/dbraw/zinc/73/11/04/1184731104.db2.gz QTNVRGSUTVUVEM-JKSUJKDBSA-N 2 0 309.454 0.995 20 30 DCEDRP COCC#CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001725778329 1184990192 /nfs/dbraw/zinc/99/01/92/1184990192.db2.gz XZKINMBXIUKNIG-JCYILVPMSA-N 2 0 319.449 0.557 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001731390575 1185313929 /nfs/dbraw/zinc/31/39/29/1185313929.db2.gz ADCVOVJNZKVQKD-IRXDYDNUSA-N 2 0 319.449 0.462 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001731487518 1185356232 /nfs/dbraw/zinc/35/62/32/1185356232.db2.gz JRXBHTNIAUUZGN-YYIAUSFCSA-N 2 0 319.449 0.890 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CCCO)CC1 ZINC001731549772 1185384904 /nfs/dbraw/zinc/38/49/04/1185384904.db2.gz GUHGNTJFYJGSSY-KRWDZBQOSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001731674659 1185439284 /nfs/dbraw/zinc/43/92/84/1185439284.db2.gz HSBHMOBAOXTPAS-OAHLLOKOSA-N 2 0 317.437 0.520 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CCC)[C@@H](C)C(N)=O)CC1 ZINC001731873700 1185543453 /nfs/dbraw/zinc/54/34/53/1185543453.db2.gz NODKRUVVKAJZPG-AWEZNQCLSA-N 2 0 322.453 0.034 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001731911149 1185567186 /nfs/dbraw/zinc/56/71/86/1185567186.db2.gz OKMMKSHGWJZEJZ-UHFFFAOYSA-N 2 0 322.453 0.048 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)CCC[C@@H](C)O)CC1 ZINC001733067977 1186125691 /nfs/dbraw/zinc/12/56/91/1186125691.db2.gz SWVAXBSEBIIECT-HZPDHXFCSA-N 2 0 323.481 0.929 20 30 DCEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001733189428 1186175186 /nfs/dbraw/zinc/17/51/86/1186175186.db2.gz DIDXNDMEPQXTSJ-GDBMZVCRSA-N 2 0 307.438 0.462 20 30 DCEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001733493682 1186302869 /nfs/dbraw/zinc/30/28/69/1186302869.db2.gz VVZRCWHKFYVMQE-SFHVURJKSA-N 2 0 321.465 0.829 20 30 DCEDRP C=CCCC[NH2+]CC1(O)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001733890931 1186488229 /nfs/dbraw/zinc/48/82/29/1186488229.db2.gz ZTOBNZXQTXEHHT-UHFFFAOYSA-N 2 0 321.465 0.992 20 30 DCEDRP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001734252313 1186593338 /nfs/dbraw/zinc/59/33/38/1186593338.db2.gz GTCZAVZYIOEPJX-HZPDHXFCSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCCO)C[C@@H]2C)CC1 ZINC001734425826 1186650001 /nfs/dbraw/zinc/65/00/01/1186650001.db2.gz CHUIBZNPBNBJCF-GOEBONIOSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCCO)C[C@@H]2C)CC1 ZINC001734425829 1186650375 /nfs/dbraw/zinc/65/03/75/1186650375.db2.gz CHUIBZNPBNBJCF-HOCLYGCPSA-N 2 0 307.438 0.293 20 30 DCEDRP COCC#CC[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001734554050 1186689963 /nfs/dbraw/zinc/68/99/63/1186689963.db2.gz ANJBTBYIQSYOQP-INIZCTEOSA-N 2 0 309.454 0.757 20 30 DCEDRP CC#CC[NH2+]C1CC(N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001734598136 1186699121 /nfs/dbraw/zinc/69/91/21/1186699121.db2.gz GAQRVGPXYKEHHB-UHFFFAOYSA-N 2 0 307.438 0.700 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001752872180 1188453750 /nfs/dbraw/zinc/45/37/50/1188453750.db2.gz AZFWNOWIFUZXDM-UONOGXRCSA-N 2 0 310.442 0.256 20 30 DCEDRP C#CC[N@@H+](CCNC(=O)c1ccn(CC[NH+](C)C)n1)C1CC1 ZINC001753154335 1188516283 /nfs/dbraw/zinc/51/62/83/1188516283.db2.gz DNRKAILKENREHG-UHFFFAOYSA-N 2 0 303.410 0.272 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001753224697 1188540162 /nfs/dbraw/zinc/54/01/62/1188540162.db2.gz ITCNYMAHKXOZPB-CQSZACIVSA-N 2 0 322.453 0.163 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001753352008 1188571699 /nfs/dbraw/zinc/57/16/99/1188571699.db2.gz JBCPKOPPZVGIOR-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC#CCOC ZINC001753486935 1188607998 /nfs/dbraw/zinc/60/79/98/1188607998.db2.gz CXVNPKJBASUATI-MRXNPFEDSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001754244658 1188797728 /nfs/dbraw/zinc/79/77/28/1188797728.db2.gz IUHGHSAYSLHQNO-KGLIPLIRSA-N 2 0 324.469 0.197 20 30 DCEDRP C=CCNC(=O)C[NH+]1C[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]2C1 ZINC001754846523 1188947220 /nfs/dbraw/zinc/94/72/20/1188947220.db2.gz KIUZSXGFYWKSCO-GASCZTMLSA-N 2 0 322.453 0.021 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001754895718 1188967955 /nfs/dbraw/zinc/96/79/55/1188967955.db2.gz XJCRYNKFMDTIQP-UHFFFAOYSA-N 2 0 321.465 0.542 20 30 DCEDRP C#CC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001755347796 1189089497 /nfs/dbraw/zinc/08/94/97/1189089497.db2.gz MYXIWBGVRKOJBD-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001755679020 1189183149 /nfs/dbraw/zinc/18/31/49/1189183149.db2.gz RGFYDRUKTDCGTO-GJZGRUSLSA-N 2 0 317.437 0.661 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001755682420 1189183800 /nfs/dbraw/zinc/18/38/00/1189183800.db2.gz SIQPQYZTEIAORD-KBPBESRZSA-N 2 0 322.453 0.209 20 30 DCEDRP COCC#CC[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001167225383 747026593 /nfs/dbraw/zinc/02/65/93/747026593.db2.gz SZDHVWJFJGYNIW-INIZCTEOSA-N 2 0 321.465 0.997 20 30 DCEDRP C=CCC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001098560993 747335811 /nfs/dbraw/zinc/33/58/11/747335811.db2.gz LPSDLTHJOVPLMK-OAHLLOKOSA-N 2 0 309.454 0.800 20 30 DCEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001203408525 747447028 /nfs/dbraw/zinc/44/70/28/747447028.db2.gz ZMBWYJILYAIPOP-UHFFFAOYSA-N 2 0 322.453 0.048 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168022685 749046664 /nfs/dbraw/zinc/04/66/64/749046664.db2.gz PYYRACYMWFNAAY-LSDHHAIUSA-N 2 0 322.453 0.401 20 30 DCEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106884496 751338406 /nfs/dbraw/zinc/33/84/06/751338406.db2.gz HVDBDNLXBHGAJK-HZPDHXFCSA-N 2 0 321.465 0.969 20 30 DCEDRP C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001077979993 752940525 /nfs/dbraw/zinc/94/05/25/752940525.db2.gz JAKHOQLYVAEOEI-OWCLPIDISA-N 2 0 309.454 0.988 20 30 DCEDRP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001078228615 753123997 /nfs/dbraw/zinc/12/39/97/753123997.db2.gz XVUGTAASPNWPGR-BZUAXINKSA-N 2 0 309.454 0.988 20 30 DCEDRP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001045505845 753220790 /nfs/dbraw/zinc/22/07/90/753220790.db2.gz DNTVQQGWGAPBEI-CSLYMUCUSA-N 2 0 317.433 0.454 20 30 DCEDRP C=CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001046008925 753411546 /nfs/dbraw/zinc/41/15/46/753411546.db2.gz BSHUAFOYJAQLPH-IAGOWNOFSA-N 2 0 320.481 0.875 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001046035461 753439015 /nfs/dbraw/zinc/43/90/15/753439015.db2.gz METLLYYFZNCSLW-MRXNPFEDSA-N 2 0 320.481 0.875 20 30 DCEDRP C=CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046081543 753470986 /nfs/dbraw/zinc/47/09/86/753470986.db2.gz HEHNHLBJVYNUIO-IAGOWNOFSA-N 2 0 320.481 0.733 20 30 DCEDRP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001047482800 754322338 /nfs/dbraw/zinc/32/23/38/754322338.db2.gz KWHBXQYEQMIZNV-GJZGRUSLSA-N 2 0 309.454 0.940 20 30 DCEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001047524480 754356159 /nfs/dbraw/zinc/35/61/59/754356159.db2.gz HQOXPOPLVGJUJE-QEJZJMRPSA-N 2 0 316.405 0.356 20 30 DCEDRP C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](O)C1 ZINC001090261128 754825353 /nfs/dbraw/zinc/82/53/53/754825353.db2.gz MPBUKKMRKBBYTK-LSDHHAIUSA-N 2 0 309.454 0.988 20 30 DCEDRP C=CC[N@@H+]1C[C@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]2C1 ZINC001048824385 754962311 /nfs/dbraw/zinc/96/23/11/754962311.db2.gz BBVGDHOEUWLTRS-GASCZTMLSA-N 2 0 317.437 0.635 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2C1 ZINC001048868771 754987302 /nfs/dbraw/zinc/98/73/02/754987302.db2.gz NIRNUOPRYIUIFL-BBWFWOEESA-N 2 0 301.434 0.884 20 30 DCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC001048885065 754997825 /nfs/dbraw/zinc/99/78/25/754997825.db2.gz LDAKLGIVWOJYID-IYBDPMFKSA-N 2 0 301.434 0.886 20 30 DCEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC001090353259 755655603 /nfs/dbraw/zinc/65/56/03/755655603.db2.gz ABSHPIGZWDMRRA-JKSUJKDBSA-N 2 0 319.449 0.437 20 30 DCEDRP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@H](OC)C1 ZINC001081766765 756801892 /nfs/dbraw/zinc/80/18/92/756801892.db2.gz CFXLSEJUMYBSMJ-BZUAXINKSA-N 2 0 307.438 0.700 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](O)C1 ZINC001090380891 757271972 /nfs/dbraw/zinc/27/19/72/757271972.db2.gz HGOBMJYABWZAKX-HZPDHXFCSA-N 2 0 314.389 0.994 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2O)CC1 ZINC001084087844 757668934 /nfs/dbraw/zinc/66/89/34/757668934.db2.gz CSYXNKLDUQAPFT-SJORKVTESA-N 2 0 319.449 0.293 20 30 DCEDRP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001098371575 762657727 /nfs/dbraw/zinc/65/77/27/762657727.db2.gz ZADMEUNUIJIPJW-DLBZAZTESA-N 2 0 321.465 0.635 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@]2(C)C[N@H+](C(C)C)CCO2)CC1 ZINC001108419983 760508530 /nfs/dbraw/zinc/50/85/30/760508530.db2.gz UUEBBAHVJZZNKB-SFHVURJKSA-N 2 0 321.465 0.947 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC#CCOC)C[C@H]21 ZINC001115300796 760757108 /nfs/dbraw/zinc/75/71/08/760757108.db2.gz ZVPUZCQOVKQZLQ-TWMKSMIVSA-N 2 0 319.449 0.557 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001169940552 760932486 /nfs/dbraw/zinc/93/24/86/760932486.db2.gz IOCYYRGUKVBKBY-UHFFFAOYSA-N 2 0 324.469 0.505 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC#CCOC)C2 ZINC001148656759 768024713 /nfs/dbraw/zinc/02/47/13/768024713.db2.gz CRAHUYKDUUUNJG-UHFFFAOYSA-N 2 0 321.465 0.902 20 30 DCEDRP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C1CC[NH+](C)CC1)C[C@@H](C)O2 ZINC001071204032 761703440 /nfs/dbraw/zinc/70/34/40/761703440.db2.gz MCNTVRBEVFUOQS-QAPCUYQASA-N 2 0 319.449 0.653 20 30 DCEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)COCC[NH+](C)C ZINC001099547921 762896189 /nfs/dbraw/zinc/89/61/89/762896189.db2.gz NLIWHHBUGFYVOK-HZMVEIRTSA-N 2 0 321.465 0.919 20 30 DCEDRP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001114304728 762928477 /nfs/dbraw/zinc/92/84/77/762928477.db2.gz XQZKONZFEFGZDT-FIDHJVLJSA-N 2 0 321.465 0.966 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001129919598 763050832 /nfs/dbraw/zinc/05/08/32/763050832.db2.gz ZMOSUNQVXKEQFB-KGLIPLIRSA-N 2 0 320.441 0.536 20 30 DCEDRP C=C(Cl)CN1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](O)C1 ZINC001099879615 763096495 /nfs/dbraw/zinc/09/64/95/763096495.db2.gz MYOVBRGDEHJNBM-ZIAGYGMSSA-N 2 0 315.845 0.775 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130173956 763164254 /nfs/dbraw/zinc/16/42/54/763164254.db2.gz XCFLXIMQVMYOGN-AWEZNQCLSA-N 2 0 322.453 0.259 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100014084 763218562 /nfs/dbraw/zinc/21/85/62/763218562.db2.gz YJMRPSIDYNMPNZ-LSDHHAIUSA-N 2 0 309.454 0.539 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130810170 763503442 /nfs/dbraw/zinc/50/34/42/763503442.db2.gz OTOYUCBPIWSNKU-ZDUSSCGKSA-N 2 0 308.426 0.011 20 30 DCEDRP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](CC)CC)C[C@@H](C)O2 ZINC001131691936 763951666 /nfs/dbraw/zinc/95/16/66/763951666.db2.gz BRBFLFHXBKNEHG-WBVHZDCISA-N 2 0 307.438 0.653 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460760 764102813 /nfs/dbraw/zinc/10/28/13/764102813.db2.gz WCEUWKRGAHVFGY-NUJGCVRESA-N 2 0 319.449 0.368 20 30 DCEDRP C#CC[NH+](CCO)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001098477864 764146092 /nfs/dbraw/zinc/14/60/92/764146092.db2.gz MPAWOUAQLPYFLZ-HNNXBMFYSA-N 2 0 307.438 0.247 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001098478820 764367527 /nfs/dbraw/zinc/36/75/27/764367527.db2.gz FRYORNBHGSFNST-INIZCTEOSA-N 2 0 321.465 0.779 20 30 DCEDRP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102376885 764620291 /nfs/dbraw/zinc/62/02/91/764620291.db2.gz APFQZURIKFIFIE-KFWWJZLASA-N 2 0 324.469 0.313 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133433734 764966855 /nfs/dbraw/zinc/96/68/55/764966855.db2.gz BBNGZPGDBUYACP-MRXNPFEDSA-N 2 0 324.469 0.479 20 30 DCEDRP C=C(Br)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133867861 765194062 /nfs/dbraw/zinc/19/40/62/765194062.db2.gz XVYRJJRAGHCRNO-ONGXEEELSA-N 2 0 304.232 0.799 20 30 DCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001115245015 765660160 /nfs/dbraw/zinc/66/01/60/765660160.db2.gz KBABYVAOODGRJY-CAOSSQGBSA-N 2 0 305.422 0.024 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC001115546236 765755781 /nfs/dbraw/zinc/75/57/81/765755781.db2.gz HUDJELQEZWRWRS-HZPDHXFCSA-N 2 0 319.449 0.892 20 30 DCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001124873255 768320710 /nfs/dbraw/zinc/32/07/10/768320710.db2.gz UUSWOVCCWSJCSZ-OAHLLOKOSA-N 2 0 304.369 0.997 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135923273 766173387 /nfs/dbraw/zinc/17/33/87/766173387.db2.gz JKMPHPUZUSHPCX-LSDHHAIUSA-N 2 0 313.442 0.087 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001171225869 767048531 /nfs/dbraw/zinc/04/85/31/767048531.db2.gz AMCBMXYAYZEOLD-HUUCEWRRSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171225954 767049645 /nfs/dbraw/zinc/04/96/45/767049645.db2.gz BWHMDRLQBOAGRB-KGLIPLIRSA-N 2 0 310.442 0.115 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146377385 767437696 /nfs/dbraw/zinc/43/76/96/767437696.db2.gz ZYLWGUWPRAALIU-CQSZACIVSA-N 2 0 324.469 0.503 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149841869 768879705 /nfs/dbraw/zinc/87/97/05/768879705.db2.gz LNUFIYDJKCHGLH-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP CCc1cc(C#N)ccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235875017 769958663 /nfs/dbraw/zinc/95/86/63/769958663.db2.gz NPLXGHBWXPQSNP-UHFFFAOYSA-N 2 0 315.465 0.705 20 30 DCEDRP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033928 770049254 /nfs/dbraw/zinc/04/92/54/770049254.db2.gz QKKDBEZPISYRFL-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2cnns2)CC1 ZINC001176926399 770225925 /nfs/dbraw/zinc/22/59/25/770225925.db2.gz KRMYMIKEKLPQSL-UHFFFAOYSA-N 2 0 321.450 0.479 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2nncs2)CC1 ZINC001176926460 770226964 /nfs/dbraw/zinc/22/69/64/770226964.db2.gz NJJUPFKSBKOLMY-UHFFFAOYSA-N 2 0 321.450 0.479 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176992577 770282757 /nfs/dbraw/zinc/28/27/57/770282757.db2.gz UUUVVLMOIIBUEY-GJZGRUSLSA-N 2 0 324.469 0.647 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176992630 770282830 /nfs/dbraw/zinc/28/28/30/770282830.db2.gz WABXFFQGCXSPBU-CABCVRRESA-N 2 0 322.453 0.095 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179439403 771005009 /nfs/dbraw/zinc/00/50/09/771005009.db2.gz NREMMWVRNLKPQM-ILXRZTDVSA-N 2 0 322.453 0.045 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]CC(N)=O)CC1 ZINC001180361109 771106803 /nfs/dbraw/zinc/10/68/03/771106803.db2.gz SYOCVPZKGADDQC-UHFFFAOYSA-N 2 0 322.453 0.083 20 30 DCEDRP COCC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001180900114 771198814 /nfs/dbraw/zinc/19/88/14/771198814.db2.gz WFNFZJJFEDZUSM-SOLBZPMBSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158038088 771717500 /nfs/dbraw/zinc/71/75/00/771717500.db2.gz MUNRGTWYPQOEPD-JKSUJKDBSA-N 2 0 307.438 0.607 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001183940117 771719671 /nfs/dbraw/zinc/71/96/71/771719671.db2.gz PSTRFNVUFQOLMO-OAHLLOKOSA-N 2 0 305.422 0.455 20 30 DCEDRP C=CCOCC[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001158288624 771753635 /nfs/dbraw/zinc/75/36/35/771753635.db2.gz YUKCLNYLOIQVNO-UHFFFAOYSA-N 2 0 323.441 0.357 20 30 DCEDRP C#C[C@](C)([NH3+])C(=O)N([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001159159582 771867877 /nfs/dbraw/zinc/86/78/77/771867877.db2.gz BLFNBGRFTUYOJP-CJNGLKHVSA-N 2 0 307.438 0.875 20 30 DCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001186234051 772019214 /nfs/dbraw/zinc/01/92/14/772019214.db2.gz FIFCHPXZUFYBTD-OAHLLOKOSA-N 2 0 303.410 0.272 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001186497125 772047583 /nfs/dbraw/zinc/04/75/83/772047583.db2.gz XNOHOATVPGTLOI-ZIAGYGMSSA-N 2 0 310.442 0.209 20 30 DCEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161511110 772237516 /nfs/dbraw/zinc/23/75/16/772237516.db2.gz WQDPVCIKFLHPLV-LSDHHAIUSA-N 2 0 314.389 0.004 20 30 DCEDRP CC#CC[N@H+]1CC=C(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001161699784 772267745 /nfs/dbraw/zinc/26/77/45/772267745.db2.gz ZANMMMYUWRQVFL-UHFFFAOYSA-N 2 0 307.438 0.726 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)(COC)CC1 ZINC001162581575 772394587 /nfs/dbraw/zinc/39/45/87/772394587.db2.gz KUUYITRREOALST-UHFFFAOYSA-N 2 0 319.449 0.560 20 30 DCEDRP C#CC[NH2+]CC1(CCNC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC001165741931 772759345 /nfs/dbraw/zinc/75/93/45/772759345.db2.gz LTQPPGLFQAXEOV-UHFFFAOYSA-N 2 0 321.465 0.854 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001166446328 772811587 /nfs/dbraw/zinc/81/15/87/772811587.db2.gz BQWQCFLOEXVHRL-LSDHHAIUSA-N 2 0 324.469 0.341 20 30 DCEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001205345773 772988309 /nfs/dbraw/zinc/98/83/09/772988309.db2.gz YAHLPDZSSYFVHY-IAGOWNOFSA-N 2 0 319.449 0.701 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001193026542 772997615 /nfs/dbraw/zinc/99/76/15/772997615.db2.gz KWPPIFKDVCWRJC-KRWDZBQOSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001193077042 773000922 /nfs/dbraw/zinc/00/09/22/773000922.db2.gz GOOBLMUMSGXAFJ-HNNXBMFYSA-N 2 0 307.438 0.653 20 30 DCEDRP CC#CCN1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001193102331 773005099 /nfs/dbraw/zinc/00/50/99/773005099.db2.gz HRSHTKBSMHNNRS-RBSFLKMASA-N 2 0 318.421 0.581 20 30 DCEDRP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001205719487 773013604 /nfs/dbraw/zinc/01/36/04/773013604.db2.gz POKXPLYUEOLRJV-PQUAAJSLSA-N 2 0 317.433 0.311 20 30 DCEDRP CC#CC[NH2+]CC1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001206697968 773100040 /nfs/dbraw/zinc/10/00/40/773100040.db2.gz GAYDBFVNSTXSKG-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001206980244 773155291 /nfs/dbraw/zinc/15/52/91/773155291.db2.gz NQJLUMMJNDXTAH-HYVNUMGLSA-N 2 0 321.465 0.967 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)[C@H](C)COC)C2)CC1 ZINC001194245564 773167495 /nfs/dbraw/zinc/16/74/95/773167495.db2.gz CMYWTUNCYAWUAF-WBVHZDCISA-N 2 0 321.465 0.899 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194293831 773178254 /nfs/dbraw/zinc/17/82/54/773178254.db2.gz JNGGHBYJOZRGIT-GJZGRUSLSA-N 2 0 324.469 0.550 20 30 DCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209830334 773650939 /nfs/dbraw/zinc/65/09/39/773650939.db2.gz YPMPLURSOFZWGS-GDBMZVCRSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001197017765 773677054 /nfs/dbraw/zinc/67/70/54/773677054.db2.gz HTURHDBQORBWIG-BZUAXINKSA-N 2 0 309.454 0.537 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210219051 773687258 /nfs/dbraw/zinc/68/72/58/773687258.db2.gz SGKQOUYYBPFLNT-AWEZNQCLSA-N 2 0 310.442 0.211 20 30 DCEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184726 774047290 /nfs/dbraw/zinc/04/72/90/774047290.db2.gz PYYYAIJQWHGKFP-MYPHYYIGSA-N 2 0 319.449 0.862 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@@H](C)OC)C2)CC1 ZINC001216837674 774141302 /nfs/dbraw/zinc/14/13/02/774141302.db2.gz MFYZJRSSMKHBQF-BFYDXBDKSA-N 2 0 321.465 0.803 20 30 DCEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OCCOCCOCCOCC[NH3+] ZINC001217934533 774206334 /nfs/dbraw/zinc/20/63/34/774206334.db2.gz WVKLWLVGUKWGLW-HZPDHXFCSA-N 2 0 316.442 0.708 20 30 DCEDRP CO[C@H]1CC[NH2+][C@@H](C(=O)Nc2sc3c(c2C#N)CC[NH2+]C3)C1 ZINC001218552457 774246056 /nfs/dbraw/zinc/24/60/56/774246056.db2.gz IZAVZCKNKCJNBR-JOYOIKCWSA-N 2 0 320.418 0.971 20 30 DCEDRP Cc1[nH]c(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c(C#N)c1C ZINC001218555840 774246297 /nfs/dbraw/zinc/24/62/97/774246297.db2.gz NUVPRFJFHQUODP-ZDUSSCGKSA-N 2 0 304.398 0.192 20 30 DCEDRP N#Cc1c2c(sc1NC(=O)[C@H]1C[NH2+]CCC1=O)C[NH2+]CC2 ZINC001218552431 774246324 /nfs/dbraw/zinc/24/63/24/774246324.db2.gz GGWVZJVFYSKGIH-JTQLQIEISA-N 2 0 304.375 0.383 20 30 DCEDRP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001219033453 774352265 /nfs/dbraw/zinc/35/22/65/774352265.db2.gz MKYFKYSHJLJDJR-JKSUJKDBSA-N 2 0 307.438 0.960 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200528240 774362609 /nfs/dbraw/zinc/36/26/09/774362609.db2.gz IHIJZJVNQFCJSE-HZPDHXFCSA-N 2 0 307.438 0.721 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200704188 774395448 /nfs/dbraw/zinc/39/54/48/774395448.db2.gz IPPOTHZPPAOQGZ-INIZCTEOSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCCO1 ZINC001200888156 774425261 /nfs/dbraw/zinc/42/52/61/774425261.db2.gz WFZGWBCYJVGGDU-INIZCTEOSA-N 2 0 319.449 0.845 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCCO1 ZINC001201889975 774567459 /nfs/dbraw/zinc/56/74/59/774567459.db2.gz AGPWDXNGKVZOET-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219636246 774568357 /nfs/dbraw/zinc/56/83/57/774568357.db2.gz YIVQNFULINDUBG-UGQVUOCMSA-N 2 0 316.380 0.677 20 30 DCEDRP C=C1C[NH2+][C@](C)(C(=O)NC2CC[NH+](C3CC[NH2+]CC3)CC2)C1 ZINC001219796246 774610584 /nfs/dbraw/zinc/61/05/84/774610584.db2.gz SNLFILIVQNZHMR-KRWDZBQOSA-N 3 0 306.454 0.627 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001202216890 774616743 /nfs/dbraw/zinc/61/67/43/774616743.db2.gz DXYIOVPPZUDEIB-UHFFFAOYSA-N 2 0 310.442 0.211 20 30 DCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078625 774689319 /nfs/dbraw/zinc/68/93/19/774689319.db2.gz XJDLGZUQZDILCZ-CABCVRRESA-N 2 0 309.454 0.988 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC ZINC001110679318 774706958 /nfs/dbraw/zinc/70/69/58/774706958.db2.gz TYDHGDBJZOFNHO-NCOADZHNSA-N 2 0 319.449 0.842 20 30 DCEDRP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114406447 774842771 /nfs/dbraw/zinc/84/27/71/774842771.db2.gz CVLBQVHSLDBSIX-FICVDOATSA-N 2 0 307.438 0.720 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001266874434 939263109 /nfs/dbraw/zinc/26/31/09/939263109.db2.gz LMPLBIQDFLUNNM-HUUCEWRRSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001266874435 939263153 /nfs/dbraw/zinc/26/31/53/939263153.db2.gz LMPLBIQDFLUNNM-LSDHHAIUSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267296438 939417573 /nfs/dbraw/zinc/41/75/73/939417573.db2.gz NTXSBAUJXMAQSJ-AWEZNQCLSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001267372320 939438414 /nfs/dbraw/zinc/43/84/14/939438414.db2.gz LSCYWAVAYKYUEK-GJZGRUSLSA-N 2 0 324.469 0.598 20 30 DCEDRP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001267932963 939707539 /nfs/dbraw/zinc/70/75/39/939707539.db2.gz XQMHNWJRYLNRKY-BRWVUGGUSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001481506792 939906385 /nfs/dbraw/zinc/90/63/85/939906385.db2.gz KWAPCLYTSHTVDW-HZPDHXFCSA-N 2 0 307.438 0.368 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268085974 939931816 /nfs/dbraw/zinc/93/18/16/939931816.db2.gz LABFDXVCAOHQQF-KBPBESRZSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001268116420 939950714 /nfs/dbraw/zinc/95/07/14/939950714.db2.gz NOYOUOLLTFWLNG-HZPDHXFCSA-N 2 0 309.454 0.708 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001268321343 940057647 /nfs/dbraw/zinc/05/76/47/940057647.db2.gz MOSMTUQYQRLZCE-CJNGLKHVSA-N 2 0 313.417 0.289 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]C[C@H](C)OC)CC1 ZINC001270194885 940853407 /nfs/dbraw/zinc/85/34/07/940853407.db2.gz WUHXCRJWJRMECN-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001270364295 940888320 /nfs/dbraw/zinc/88/83/20/940888320.db2.gz OPWFDXFHYCIZHW-OAHLLOKOSA-N 2 0 307.438 0.389 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001482293058 940912343 /nfs/dbraw/zinc/91/23/43/940912343.db2.gz UVUBQXJBBMLMQT-ZDUSSCGKSA-N 2 0 310.442 0.209 20 30 DCEDRP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001271154112 941292905 /nfs/dbraw/zinc/29/29/05/941292905.db2.gz YKXQGEAPROPFFZ-RDJZCZTQSA-N 2 0 307.438 0.437 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001271427459 941373070 /nfs/dbraw/zinc/37/30/70/941373070.db2.gz QMGOXVWZNBFQRS-NVXWUHKLSA-N 2 0 321.465 0.805 20 30 DCEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001271953668 941490692 /nfs/dbraw/zinc/49/06/92/941490692.db2.gz JNGYYPNQJSUQOE-UHFFFAOYSA-N 2 0 306.454 0.344 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001483790889 942957025 /nfs/dbraw/zinc/95/70/25/942957025.db2.gz NQOZTQJSVNBGKP-ZDUSSCGKSA-N 2 0 308.426 0.011 20 30 DCEDRP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)C[NH+]3CCCC3)C2)CC1 ZINC001483979619 943067928 /nfs/dbraw/zinc/06/79/28/943067928.db2.gz LZYOQCKYIJSGSP-INIZCTEOSA-N 2 0 319.449 0.703 20 30 DCEDRP C#CCC[N@H+]1CC[C@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001484063069 943128954 /nfs/dbraw/zinc/12/89/54/943128954.db2.gz OBAPSSTZQKJHRC-KRWDZBQOSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001484355318 943334336 /nfs/dbraw/zinc/33/43/36/943334336.db2.gz FQPSAEFPYQCUSJ-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001484728695 943537816 /nfs/dbraw/zinc/53/78/16/943537816.db2.gz UHAZQRBVAIVSTI-HNNXBMFYSA-N 2 0 322.453 0.355 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001484876555 943609226 /nfs/dbraw/zinc/60/92/26/943609226.db2.gz FQXPVMRKRWVNCI-RRFJBIMHSA-N 2 0 324.469 0.598 20 30 DCEDRP C=CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001485018370 943656879 /nfs/dbraw/zinc/65/68/79/943656879.db2.gz FORNOYHOUATXBD-HNNXBMFYSA-N 2 0 309.454 0.988 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001491126431 943772962 /nfs/dbraw/zinc/77/29/62/943772962.db2.gz XYRFDUVVELFIQT-MRXNPFEDSA-N 2 0 319.449 0.560 20 30 DCEDRP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001485833581 944261947 /nfs/dbraw/zinc/26/19/47/944261947.db2.gz JPKXVZASUISYFP-GOEBONIOSA-N 2 0 307.438 0.415 20 30 DCEDRP C=C(C)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001276812770 944310717 /nfs/dbraw/zinc/31/07/17/944310717.db2.gz MBCYYGCWFGXMPN-GJZGRUSLSA-N 2 0 307.438 0.864 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)CCc2cncn2C)CC1 ZINC001316971780 944697800 /nfs/dbraw/zinc/69/78/00/944697800.db2.gz HPHPUNWGDHEPBT-UHFFFAOYSA-N 2 0 317.437 0.110 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001317015910 944741914 /nfs/dbraw/zinc/74/19/14/944741914.db2.gz JJSNOQFTFHIKPU-INIZCTEOSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001486317233 944763186 /nfs/dbraw/zinc/76/31/86/944763186.db2.gz GIZVPNRXQKGNMW-IAGOWNOFSA-N 2 0 323.481 0.929 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H](C)CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001317266611 944887667 /nfs/dbraw/zinc/88/76/67/944887667.db2.gz SQYDFAJSVAOYJY-HIFRSBDPSA-N 2 0 322.453 0.209 20 30 DCEDRP N#CCC1CN(C(=O)[C@@]23C[C@@H]2C[N@H+](CC2CC[NH2+]CC2)C3)C1 ZINC001277822817 944994862 /nfs/dbraw/zinc/99/48/62/944994862.db2.gz YHHWXTDNLOAOPR-NVXWUHKLSA-N 2 0 302.422 0.680 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC#CCOC)C2CC2)CC[N@@H+]1C ZINC001317551284 945044887 /nfs/dbraw/zinc/04/48/87/945044887.db2.gz JKGGPYZHHAASET-DLBZAZTESA-N 2 0 321.465 0.947 20 30 DCEDRP CCC[N@H+](C)CC(=O)N(CC)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001318485570 945382023 /nfs/dbraw/zinc/38/20/23/945382023.db2.gz ROEJXBXBNJBQJS-INIZCTEOSA-N 2 0 309.454 0.901 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001318525524 945394602 /nfs/dbraw/zinc/39/46/02/945394602.db2.gz XQXSUMWCCHAQRZ-CABCVRRESA-N 2 0 322.453 0.093 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001319590089 945625803 /nfs/dbraw/zinc/62/58/03/945625803.db2.gz OHKBNKMJCBYGRJ-HNNXBMFYSA-N 2 0 322.453 0.048 20 30 DCEDRP CC#CC[NH2+][C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC001319958276 945702965 /nfs/dbraw/zinc/70/29/65/945702965.db2.gz PHSGEQYNZBKDJW-HZPDHXFCSA-N 2 0 309.454 0.708 20 30 DCEDRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC#Cc2ccccc2)C1 ZINC001320313796 945818194 /nfs/dbraw/zinc/81/81/94/945818194.db2.gz NPDJRVGIMXJLHP-IAGOWNOFSA-N 2 0 315.417 0.057 20 30 DCEDRP C=C[C@@H](O)C[N@@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001253576640 946132902 /nfs/dbraw/zinc/13/29/02/946132902.db2.gz NGLMQDYJSWHWSK-OAHLLOKOSA-N 2 0 305.422 0.357 20 30 DCEDRP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001278860217 946491730 /nfs/dbraw/zinc/49/17/30/946491730.db2.gz RECYCJMNUKYXPJ-DLBZAZTESA-N 2 0 321.465 0.778 20 30 DCEDRP C=CCC[C@H](C)[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001258721437 946860138 /nfs/dbraw/zinc/86/01/38/946860138.db2.gz VOTDUGCNXMJRKY-INIZCTEOSA-N 2 0 318.458 0.956 20 30 DCEDRP CC#CC[N@@H+](CCOC)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001323748477 947189969 /nfs/dbraw/zinc/18/99/69/947189969.db2.gz JHCBLHFJROVVRV-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001324224820 947357543 /nfs/dbraw/zinc/35/75/43/947357543.db2.gz FILKFRRHFHUAIW-GOEBONIOSA-N 2 0 324.469 0.455 20 30 DCEDRP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001324974545 947594813 /nfs/dbraw/zinc/59/48/13/947594813.db2.gz BCURXKWWMJEZDO-FUHWJXTLSA-N 2 0 321.465 0.949 20 30 DCEDRP C=C(C)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001325160012 947686495 /nfs/dbraw/zinc/68/64/95/947686495.db2.gz IVUSYOYPFGMESV-NVXWUHKLSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001325450511 947798946 /nfs/dbraw/zinc/79/89/46/947798946.db2.gz QICGVQRUMLERJU-GJZGRUSLSA-N 2 0 317.437 0.518 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1C ZINC001179538690 947865204 /nfs/dbraw/zinc/86/52/04/947865204.db2.gz GVXGVOQLXHFCPX-KKUMJFAQSA-N 2 0 322.453 0.209 20 30 DCEDRP COCC#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001273515221 947935675 /nfs/dbraw/zinc/93/56/75/947935675.db2.gz SQWBQABHAOHQBF-QGZVFWFLSA-N 2 0 321.465 0.758 20 30 DCEDRP C#CCCN1CC2(C1)CC[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)O2 ZINC001273662270 948010337 /nfs/dbraw/zinc/01/03/37/948010337.db2.gz NOFVNXUWULTYPK-INIZCTEOSA-N 2 0 319.449 0.844 20 30 DCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001326827081 948293603 /nfs/dbraw/zinc/29/36/03/948293603.db2.gz BOVBBYUECLJKCC-ILXRZTDVSA-N 2 0 308.426 0.752 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CCO1 ZINC001327077806 948388389 /nfs/dbraw/zinc/38/83/89/948388389.db2.gz BAZNQQSMCNZLCT-SJORKVTESA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001493127783 948561357 /nfs/dbraw/zinc/56/13/57/948561357.db2.gz GCWHDSIILVRNFL-YESZJQIVSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001273909820 948674850 /nfs/dbraw/zinc/67/48/50/948674850.db2.gz BIDLJWHDGSVUMG-RDJZCZTQSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001273910156 948675327 /nfs/dbraw/zinc/67/53/27/948675327.db2.gz DYTQLPRVFKAMEX-GOSISDBHSA-N 2 0 323.481 0.931 20 30 DCEDRP C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001264079889 948870970 /nfs/dbraw/zinc/87/09/70/948870970.db2.gz AUVGDJAZIYCNFP-MRXNPFEDSA-N 2 0 319.449 0.391 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001264429211 948973549 /nfs/dbraw/zinc/97/35/49/948973549.db2.gz JNZALESVDOJGPL-KKUMJFAQSA-N 2 0 322.453 0.257 20 30 DCEDRP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001264631828 949042760 /nfs/dbraw/zinc/04/27/60/949042760.db2.gz CBYPWPGXDZOOJD-DLBZAZTESA-N 2 0 321.465 0.779 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001265252832 949494078 /nfs/dbraw/zinc/49/40/78/949494078.db2.gz DFWOZDBJPSNXIS-UHFFFAOYSA-N 2 0 320.481 0.782 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001265357292 949625149 /nfs/dbraw/zinc/62/51/49/949625149.db2.gz XTDPGRWSAQPBIU-FVQBIDKESA-N 2 0 307.438 0.461 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001265478385 949713662 /nfs/dbraw/zinc/71/36/62/949713662.db2.gz BHDTWPQKMXZAMN-HDJSIYSDSA-N 2 0 303.410 0.318 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001265663885 949859254 /nfs/dbraw/zinc/85/92/54/949859254.db2.gz MVEQVGJZSYCOMP-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CCN1CC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001330072232 950105731 /nfs/dbraw/zinc/10/57/31/950105731.db2.gz RZWRNBMHUQUUPF-HUUCEWRRSA-N 2 0 307.438 0.415 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC#CCOC)C2)CC[N@@H+]1C ZINC001265905268 950121707 /nfs/dbraw/zinc/12/17/07/950121707.db2.gz HBSFJXWXLBTPKD-HRCADAONSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001330275920 950243731 /nfs/dbraw/zinc/24/37/31/950243731.db2.gz MIVBEOHVAFWZAF-JONQDZQNSA-N 2 0 305.422 0.024 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001490306050 950517726 /nfs/dbraw/zinc/51/77/26/950517726.db2.gz MVRLXQYRURIHRZ-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001490775304 951098527 /nfs/dbraw/zinc/09/85/27/951098527.db2.gz ARYNDZYMUOJLFY-KRWDZBQOSA-N 2 0 321.465 0.902 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001332320226 951585881 /nfs/dbraw/zinc/58/58/81/951585881.db2.gz FLTGUSDDHIPMSQ-HOTGVXAUSA-N 2 0 319.449 0.607 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001332604725 951718572 /nfs/dbraw/zinc/71/85/72/951718572.db2.gz BXCWWNPXQINIGI-CVEARBPZSA-N 2 0 309.454 0.539 20 30 DCEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001332971741 951870549 /nfs/dbraw/zinc/87/05/49/951870549.db2.gz DPWYKDXDCHDLBG-JKSUJKDBSA-N 2 0 321.465 0.805 20 30 DCEDRP C[NH+]1CCN(CCC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC001335880504 952614407 /nfs/dbraw/zinc/61/44/07/952614407.db2.gz CWBPBFJJNVJVSK-QGZVFWFLSA-N 2 0 302.422 0.819 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001490852479 953124263 /nfs/dbraw/zinc/12/42/63/953124263.db2.gz ISTAGNQDPHJXNR-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)CC1 ZINC001346670764 953940073 /nfs/dbraw/zinc/94/00/73/953940073.db2.gz CUVVPCYIEVYXOY-FVQBIDKESA-N 2 0 304.438 0.723 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001283721522 954556698 /nfs/dbraw/zinc/55/66/98/954556698.db2.gz IONSPIDGHIYEJO-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001284466578 955115336 /nfs/dbraw/zinc/11/53/36/955115336.db2.gz DMZCXMSMWXFVAD-MRXNPFEDSA-N 2 0 309.454 0.685 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001480109733 955486676 /nfs/dbraw/zinc/48/66/76/955486676.db2.gz NLCGILVAVZIKGB-JKSUJKDBSA-N 2 0 307.438 0.700 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001376871014 959026049 /nfs/dbraw/zinc/02/60/49/959026049.db2.gz ZEHCFWKSVUMAIV-QWHCGFSZSA-N 2 0 301.818 0.508 20 30 DCEDRP C=CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001491704556 959076269 /nfs/dbraw/zinc/07/62/69/959076269.db2.gz FMAXGKJCSXMIMU-LSDHHAIUSA-N 2 0 324.469 0.457 20 30 DCEDRP C=C(Br)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001491675281 959117302 /nfs/dbraw/zinc/11/73/02/959117302.db2.gz ZAVJYBDXHROFCG-MNOVXSKESA-N 2 0 304.232 0.941 20 30 DCEDRP C#CCCN1CCO[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001495870336 959204204 /nfs/dbraw/zinc/20/42/04/959204204.db2.gz IVNLWDMNRYZHKC-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001316750218 960364710 /nfs/dbraw/zinc/36/47/10/960364710.db2.gz ZYDLJCZOEGMXEO-DLBZAZTESA-N 2 0 323.481 0.881 20 30 DCEDRP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC001379526437 963129922 /nfs/dbraw/zinc/12/99/22/963129922.db2.gz QJHGBKZXEIRTFQ-INIZCTEOSA-N 2 0 318.421 0.465 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC001448894191 1014087097 /nfs/dbraw/zinc/08/70/97/1014087097.db2.gz WZWPPOADMXUSOW-HNNXBMFYSA-N 2 0 304.394 0.077 20 30 DCEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC001394577943 993857553 /nfs/dbraw/zinc/85/75/53/993857553.db2.gz KKTSKZRLBHYMEI-HOTGVXAUSA-N 2 0 316.405 0.219 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001394748263 994101768 /nfs/dbraw/zinc/10/17/68/994101768.db2.gz ZTFXKDBWAUAQDE-OLZOCXBDSA-N 2 0 305.850 0.734 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCOCC1 ZINC001502644086 1016013023 /nfs/dbraw/zinc/01/30/23/1016013023.db2.gz VJDLRAUBQIDWMI-GJZGRUSLSA-N 2 0 307.438 0.747 20 30 DCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1(C)C ZINC001507452217 1016336691 /nfs/dbraw/zinc/33/66/91/1016336691.db2.gz JANIKHGFYFKEQP-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001505606379 1016351959 /nfs/dbraw/zinc/35/19/59/1016351959.db2.gz QVSLYAJYJNQMJZ-KGLIPLIRSA-N 2 0 305.426 0.564 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC001439025925 1006379932 /nfs/dbraw/zinc/37/99/32/1006379932.db2.gz MFXRMEZEHDNKAG-HNNXBMFYSA-N 2 0 304.394 0.077 20 30 DCEDRP C=C(Cl)C[NH2+]CC1(O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001424529822 1012616777 /nfs/dbraw/zinc/61/67/77/1012616777.db2.gz LTWAKEOOXXDRDX-UHFFFAOYSA-N 2 0 315.845 0.778 20 30 DCEDRP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1C ZINC001479709056 1017666829 /nfs/dbraw/zinc/66/68/29/1017666829.db2.gz DQFMRDWZFXAQRA-CABCVRRESA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCOCC)C2)CC1 ZINC001479971533 1018077093 /nfs/dbraw/zinc/07/70/93/1018077093.db2.gz BXKFXSZKLHJJFQ-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001497393604 1018107696 /nfs/dbraw/zinc/10/76/96/1018107696.db2.gz JESKBCCUQUUQLI-HNNXBMFYSA-N 2 0 322.453 0.047 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]CC#CCOC)C2CC2)CC[N@@H+]1C ZINC001480019953 1018128966 /nfs/dbraw/zinc/12/89/66/1018128966.db2.gz CCAZWPOHKLTGRF-YESZJQIVSA-N 2 0 321.465 0.851 20 30 DCEDRP C#CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCO)CC1 ZINC001500054608 1018190378 /nfs/dbraw/zinc/19/03/78/1018190378.db2.gz RUJZFJDBNBJJTI-HNNXBMFYSA-N 2 0 307.438 0.247 20 30 DCEDRP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001500057538 1018193233 /nfs/dbraw/zinc/19/32/33/1018193233.db2.gz ITABNIWYIVSWAK-HUUCEWRRSA-N 2 0 307.438 0.245 20 30 DCEDRP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001500057536 1018193743 /nfs/dbraw/zinc/19/37/43/1018193743.db2.gz ITABNIWYIVSWAK-CABCVRRESA-N 2 0 307.438 0.245 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CC#CCOC ZINC001480364943 1018466698 /nfs/dbraw/zinc/46/66/98/1018466698.db2.gz KALQNQADYPHHPF-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001495479647 1018531103 /nfs/dbraw/zinc/53/11/03/1018531103.db2.gz NDLVDQVUASMHIN-WKILWMFISA-N 2 0 307.438 0.749 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001480563252 1018660580 /nfs/dbraw/zinc/66/05/80/1018660580.db2.gz WZVBBUSWVGSCGA-AWEZNQCLSA-N 2 0 324.469 0.503 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)CCCOC)CC1 ZINC001498455859 1019135970 /nfs/dbraw/zinc/13/59/70/1019135970.db2.gz KWNXHDJLMJJODO-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1CC#CCOC ZINC001493150942 1019145569 /nfs/dbraw/zinc/14/55/69/1019145569.db2.gz HCNJZARCCSEAGA-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001493211628 1019210000 /nfs/dbraw/zinc/21/00/00/1019210000.db2.gz RRTDGLOIEHSHLM-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001501741889 1019434197 /nfs/dbraw/zinc/43/41/97/1019434197.db2.gz HDZRXBOSUASOPI-UHFFFAOYSA-N 2 0 321.465 0.902 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001502044116 1019653661 /nfs/dbraw/zinc/65/36/61/1019653661.db2.gz TWJQUCMFNBHGLE-QWHCGFSZSA-N 2 0 301.818 0.650 20 30 DCEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001494327139 1020131122 /nfs/dbraw/zinc/13/11/22/1020131122.db2.gz SVVOPLHNCRLOIV-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP CN(C)C(NCc1ccccc1)=[NH+]C[C@H]1C[N@H+](C)CCN1C ZINC000262511795 238175659 /nfs/dbraw/zinc/17/56/59/238175659.db2.gz DMCLJYWGSUKOMP-INIZCTEOSA-N 2 0 303.454 0.940 20 30 DCEDRP C[C@@H]1C[NH+]=C(NCc2ccc(CN3CC[NH+](C)CC3)cc2)N1 ZINC000262642852 238177797 /nfs/dbraw/zinc/17/77/97/238177797.db2.gz IDXNNDPXZWHSSL-CQSZACIVSA-N 2 0 301.438 0.871 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000491820371 533101270 /nfs/dbraw/zinc/10/12/70/533101270.db2.gz REQWNHKGIUOXHE-UHFFFAOYSA-N 2 0 324.469 0.694 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000491818471 533103858 /nfs/dbraw/zinc/10/38/58/533103858.db2.gz LIHZAJWDBYEVSK-UHFFFAOYSA-N 2 0 310.442 0.257 20 30 DCEDRP CN(CCC#N)C(=O)CC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000611302773 396852136 /nfs/dbraw/zinc/85/21/36/396852136.db2.gz ZWUMPOVQVNEQJT-INIZCTEOSA-N 2 0 321.469 0.460 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000417535615 397373274 /nfs/dbraw/zinc/37/32/74/397373274.db2.gz XAJQDDKORJQDSF-UHFFFAOYSA-N 2 0 309.458 0.231 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000491667362 416611134 /nfs/dbraw/zinc/61/11/34/416611134.db2.gz XROSJGMRTDHRKP-UHFFFAOYSA-N 2 0 316.405 0.416 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](c3cccnc3)C2)CC1 ZINC000491667694 416611562 /nfs/dbraw/zinc/61/15/62/416611562.db2.gz VJQXCDHSEULWIH-KRWDZBQOSA-N 2 0 312.417 0.648 20 30 DCEDRP C#CCNC(=O)CC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000491154084 416586373 /nfs/dbraw/zinc/58/63/73/416586373.db2.gz GSWZJEQJLSWICN-CALCHBBNSA-N 2 0 320.481 0.616 20 30 DCEDRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424147853 416618774 /nfs/dbraw/zinc/61/87/74/416618774.db2.gz SLWCEFTWBZZIKG-HUUCEWRRSA-N 2 0 310.442 0.967 20 30 DCEDRP C#CCN1CCN(C(=O)CN[C@@H](CO)c2ccc(F)cc2)CC1 ZINC000491758607 416623362 /nfs/dbraw/zinc/62/33/62/416623362.db2.gz ILSOVNIYQZAXHU-INIZCTEOSA-N 2 0 319.380 0.226 20 30 DCEDRP C[NH2+]CCCc1[nH]nc(NC(=O)C2(C[NH+](C)C)CC2)c1C#N ZINC000602778857 416627902 /nfs/dbraw/zinc/62/79/02/416627902.db2.gz YUOVWRCEFZIPQV-UHFFFAOYSA-N 2 0 304.398 0.714 20 30 DCEDRP C=CCN1CC[C@H]([N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1=O ZINC000652349559 417889118 /nfs/dbraw/zinc/88/91/18/417889118.db2.gz SNMPVNRBVGYLMF-FZKCQIBNSA-N 2 0 307.438 0.992 20 30 DCEDRP C[NH+]=C(NCC(=O)NC(C)C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262494964 276840806 /nfs/dbraw/zinc/84/08/06/276840806.db2.gz WCPGJHSKKMFESN-AWEZNQCLSA-N 2 0 309.458 0.647 20 30 DCEDRP CN1CC[N@H+](C)C[C@H]1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000262535940 277102257 /nfs/dbraw/zinc/10/22/57/277102257.db2.gz PNXQJSRFEZMFFH-HIFRSBDPSA-N 2 0 317.437 0.660 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)OC(C)(C)C ZINC000303778040 340346135 /nfs/dbraw/zinc/34/61/35/340346135.db2.gz JHGBTABSAFOIPS-LBPRGKRZSA-N 2 0 313.446 0.900 20 30 DCEDRP C[NH+]=C(NCC1CCOCC1)NCC1([NH+](C)C)CCOCC1 ZINC000176419461 526352950 /nfs/dbraw/zinc/35/29/50/526352950.db2.gz DXKZPSJLVCJXJM-UHFFFAOYSA-N 2 0 312.458 0.689 20 30 DCEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N(C)CCc1cccs1 ZINC000261818736 526372916 /nfs/dbraw/zinc/37/29/16/526372916.db2.gz UEHLCHISRACATH-CQSZACIVSA-N 2 0 321.494 0.798 20 30 DCEDRP C[NH+]=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)NC1CC1 ZINC000264096071 526376505 /nfs/dbraw/zinc/37/65/05/526376505.db2.gz XPNCPMXCXLJHMT-INIZCTEOSA-N 2 0 302.422 0.733 20 30 DCEDRP C=CCNC(=[NH2+])NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000264105498 526387735 /nfs/dbraw/zinc/38/77/35/526387735.db2.gz PHVHNCZYTVJSDD-UHFFFAOYSA-N 3 0 302.426 0.684 20 30 DCEDRP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CC[C@]2(CCOC2)C1 ZINC000261932454 528810746 /nfs/dbraw/zinc/81/07/46/528810746.db2.gz BQEWJSNLYBALKV-WBVHZDCISA-N 2 0 323.485 0.310 20 30 DCEDRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)N(C)C(=O)[C@H]1CCC[NH+]1C ZINC000329103051 546043716 /nfs/dbraw/zinc/04/37/16/546043716.db2.gz NMUMFSGNRSRPRY-HZSPNIEDSA-N 2 0 310.442 0.978 20 30 DCEDRP C#CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CC[NH+](CC#C)CC1 ZINC001671492388 1175015598 /nfs/dbraw/zinc/01/55/98/1175015598.db2.gz YBDKYTUALKYEIL-MRXNPFEDSA-N 2 0 301.434 0.888 20 30 DCEDRP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC000978834807 660614213 /nfs/dbraw/zinc/61/42/13/660614213.db2.gz BGEODPQNGVHCHV-PHZGNYQRSA-N 2 0 317.437 0.538 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@H]([C@@H](C)[NH2+]C(C)C)C2)CC1 ZINC000979457700 660750730 /nfs/dbraw/zinc/75/07/30/660750730.db2.gz MNRQFODCFQCYAA-WBVHZDCISA-N 2 0 321.465 0.946 20 30 DCEDRP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000981772013 661214214 /nfs/dbraw/zinc/21/42/14/661214214.db2.gz JOIQQMYRBJHRAW-INIZCTEOSA-N 2 0 301.434 0.886 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)C1([NH+](C)C)CCC1)CCO2 ZINC000949112349 661248992 /nfs/dbraw/zinc/24/89/92/661248992.db2.gz QIRSFEGJKDJLOK-UHFFFAOYSA-N 2 0 319.449 0.797 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001023088949 657495359 /nfs/dbraw/zinc/49/53/59/657495359.db2.gz QVPOJDQRTPNXTM-QLFBSQMISA-N 2 0 320.437 0.106 20 30 DCEDRP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001023550905 657978246 /nfs/dbraw/zinc/97/82/46/657978246.db2.gz PPJWYYOOUVPEJT-HZPDHXFCSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCN1CCOC2(CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000949472772 658293357 /nfs/dbraw/zinc/29/33/57/658293357.db2.gz MFABGULVBBSJFO-HNNXBMFYSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000970192192 658720871 /nfs/dbraw/zinc/72/08/71/658720871.db2.gz YDEWCYMDJWKCRL-RXAYYZCOSA-N 2 0 305.422 0.472 20 30 DCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000999351166 665634020 /nfs/dbraw/zinc/63/40/20/665634020.db2.gz DDERXRXLRFKJRI-DOTOQJQBSA-N 2 0 319.449 0.844 20 30 DCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000999493949 665653270 /nfs/dbraw/zinc/65/32/70/665653270.db2.gz NRDXGDYOEHHCCU-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH2+]C1CCC(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001026530096 659382697 /nfs/dbraw/zinc/38/26/97/659382697.db2.gz DKWNNIVBZYGRCN-QFQXCOSMSA-N 2 0 317.433 0.500 20 30 DCEDRP C#CC[NH2+]C1CCC(NC(=O)[C@H]2CN(C(C)C)CCO2)CC1 ZINC001026549614 659389641 /nfs/dbraw/zinc/38/96/41/659389641.db2.gz YTZAHXRHHHFJDF-UYSNPLJNSA-N 2 0 307.438 0.746 20 30 DCEDRP N#Cc1ccc(NCC[NH2+][C@H](C2CC2)[C@H]2CNCCO2)nc1 ZINC000925892866 661393721 /nfs/dbraw/zinc/39/37/21/661393721.db2.gz GUXSXAOMCLRUOS-GDBMZVCRSA-N 2 0 301.394 0.722 20 30 DCEDRP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1 ZINC000982736594 661639051 /nfs/dbraw/zinc/63/90/51/661639051.db2.gz PVEWTCWYIDDCTB-CALCHBBNSA-N 2 0 301.434 0.886 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000896208935 662252445 /nfs/dbraw/zinc/25/24/45/662252445.db2.gz RSBCCSCHZVOLFZ-INIZCTEOSA-N 2 0 307.438 0.864 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000940808048 665851128 /nfs/dbraw/zinc/85/11/28/665851128.db2.gz YBTWIVKKLCFTKX-HOTGVXAUSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[N@@H+](C)C1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000985491068 662466704 /nfs/dbraw/zinc/46/67/04/662466704.db2.gz ACAGUGKKJDVJQP-UHFFFAOYSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]C[C@H](C)O)C2)CC1 ZINC001000993033 665976594 /nfs/dbraw/zinc/97/65/94/665976594.db2.gz PNEJQEZKPQNONY-HOCLYGCPSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CCN(C(=O)NCC[N@@H+](C)CCCOC)C1CC[NH+](C)CC1 ZINC000920417234 665270283 /nfs/dbraw/zinc/27/02/83/665270283.db2.gz KGBBSZDCEIMWHJ-UHFFFAOYSA-N 2 0 324.469 0.694 20 30 DCEDRP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001001426892 666050748 /nfs/dbraw/zinc/05/07/48/666050748.db2.gz XVMKYRPFWNMAGZ-SJORKVTESA-N 2 0 319.449 0.701 20 30 DCEDRP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001001532289 666068457 /nfs/dbraw/zinc/06/84/57/666068457.db2.gz LQFGEBGTXNPRDK-GDBMZVCRSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033083963 666497250 /nfs/dbraw/zinc/49/72/50/666497250.db2.gz CRPJRNVIOMQBCQ-OAHLLOKOSA-N 2 0 317.437 0.614 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033280058 666659937 /nfs/dbraw/zinc/65/99/37/666659937.db2.gz ZVFACSLYXBREGT-GARNVTTQSA-N 2 0 317.433 0.406 20 30 DCEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000996814484 666923066 /nfs/dbraw/zinc/92/30/66/666923066.db2.gz VVLYEDHGVWUEKW-GNHJJJEISA-N 2 0 305.422 0.616 20 30 DCEDRP C#CC[N@H+]1CCCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001034436588 667025792 /nfs/dbraw/zinc/02/57/92/667025792.db2.gz SKHBHXHJBSFOGA-INIZCTEOSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001034648882 667090321 /nfs/dbraw/zinc/09/03/21/667090321.db2.gz SGQZRMGFMLLFMR-SHTZXODSSA-N 2 0 317.437 0.709 20 30 DCEDRP Cn1cc(C#N)cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866041344 667361588 /nfs/dbraw/zinc/36/15/88/667361588.db2.gz RPHLBRSYTKNZLV-HUUCEWRRSA-N 2 0 317.437 0.708 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001036243464 667432057 /nfs/dbraw/zinc/43/20/57/667432057.db2.gz ZGOHRKZUWLDULP-ZBFHGGJFSA-N 2 0 307.438 0.557 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[NH+](CC3CC3)CC1)C2 ZINC000884193978 667494632 /nfs/dbraw/zinc/49/46/32/667494632.db2.gz VTADYNCGBQHWMS-ISXOHVOVSA-N 2 0 302.422 0.680 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC3CCC1(C[NH3+])CC3)C2 ZINC000884379061 667534765 /nfs/dbraw/zinc/53/47/65/667534765.db2.gz MTLDXPZIXRZCIG-JULPFRMLSA-N 2 0 302.422 0.856 20 30 DCEDRP CO[C@@H](C[NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000884388627 667535773 /nfs/dbraw/zinc/53/57/73/667535773.db2.gz BDDPEZCFIJWPBZ-INIZCTEOSA-N 2 0 316.405 0.613 20 30 DCEDRP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(C#N)n2)C[C@H]1C[NH+](C)C ZINC000870018518 667698426 /nfs/dbraw/zinc/69/84/26/667698426.db2.gz RQZAFRSZXPISFD-ZIAGYGMSSA-N 2 0 315.421 0.765 20 30 DCEDRP C#CCOCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875487368 668330005 /nfs/dbraw/zinc/33/00/05/668330005.db2.gz TZGUDRQGSODAEK-HUUCEWRRSA-N 2 0 310.442 0.017 20 30 DCEDRP C#CC[C@@H](COC)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875929509 668399228 /nfs/dbraw/zinc/39/92/28/668399228.db2.gz ZHPUJXSMFSXBQY-OAGGEKHMSA-N 2 0 324.469 0.406 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000876780038 668509374 /nfs/dbraw/zinc/50/93/74/668509374.db2.gz BGLFIELPWHFAFE-CHWSQXEVSA-N 2 0 302.850 0.599 20 30 DCEDRP C#CCNC(=O)C[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000766973913 668555647 /nfs/dbraw/zinc/55/56/47/668555647.db2.gz NGJIBSPTRHVHMG-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CCC1([NH2+]CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CCC1 ZINC000933304237 669481474 /nfs/dbraw/zinc/48/14/74/669481474.db2.gz IVPPNODHJLIMOQ-MRXNPFEDSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC#C)[C@H](C)C2)CC1 ZINC000948070192 670053537 /nfs/dbraw/zinc/05/35/37/670053537.db2.gz NNTUHTKZBJWUDA-WBVHZDCISA-N 2 0 301.434 0.934 20 30 DCEDRP C#CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214371 687446599 /nfs/dbraw/zinc/44/65/99/687446599.db2.gz GNSVWRBWFPGBQA-GJZGRUSLSA-N 2 0 305.422 0.047 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCCC)C[C@H]2O)CC1 ZINC000958724575 687876412 /nfs/dbraw/zinc/87/64/12/687876412.db2.gz QHCZXVXILMLHGD-DLBZAZTESA-N 2 0 321.465 0.541 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCCC)C[C@@H]2O)CC1 ZINC000958724577 687877600 /nfs/dbraw/zinc/87/76/00/687877600.db2.gz QHCZXVXILMLHGD-IRXDYDNUSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H](C)OC)C[C@H]32)CC1 ZINC000962780423 688978637 /nfs/dbraw/zinc/97/86/37/688978637.db2.gz SKFRAJPLAMXCLJ-SIXLDLHFSA-N 2 0 319.449 0.413 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001009627385 691077400 /nfs/dbraw/zinc/07/74/00/691077400.db2.gz LNMMJVSKOFKDIX-INIZCTEOSA-N 2 0 307.438 0.295 20 30 DCEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015322986 692263586 /nfs/dbraw/zinc/26/35/86/692263586.db2.gz GLBHDFVLEKVBOB-GYMHETDLSA-N 2 0 305.422 0.616 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001016330472 692654397 /nfs/dbraw/zinc/65/43/97/692654397.db2.gz GSECATUKCQYXEU-DOTOQJQBSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H](CC)OC)C2)CC1 ZINC001016337160 692656266 /nfs/dbraw/zinc/65/62/66/692656266.db2.gz POFPYVHBFBVBIB-IRXDYDNUSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001570472834 1162524800 /nfs/dbraw/zinc/52/48/00/1162524800.db2.gz PAGMOCKNWFJJEJ-YOEHRIQHSA-N 2 0 322.453 0.259 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001571490185 1162780205 /nfs/dbraw/zinc/78/02/05/1162780205.db2.gz ANTULCNDMVIUDD-ZIAGYGMSSA-N 2 0 310.442 0.209 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001571546723 1162804806 /nfs/dbraw/zinc/80/48/06/1162804806.db2.gz SPVRSEUFZMOKNN-JKSUJKDBSA-N 2 0 321.465 0.995 20 30 DCEDRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CC#CCOC)C(C)(C)C1)[NH+](C)C ZINC001571566669 1162812186 /nfs/dbraw/zinc/81/21/86/1162812186.db2.gz XMJPCKYCSDNJOB-LSDHHAIUSA-N 2 0 309.454 0.803 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001670469755 1157447247 /nfs/dbraw/zinc/44/72/47/1157447247.db2.gz LPSGLABQPURNJT-DLBZAZTESA-N 2 0 321.465 0.993 20 30 DCEDRP C#CCC[NH2+]C[C@H](NC(=O)C1CC[NH+](CC#C)CC1)C1CC1 ZINC001670557162 1157462120 /nfs/dbraw/zinc/46/21/20/1157462120.db2.gz RYTJNYYIFVSEKF-KRWDZBQOSA-N 2 0 301.434 0.839 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001755088320 1157916313 /nfs/dbraw/zinc/91/63/13/1157916313.db2.gz RNWLGNQRMUROKH-WMZOPIPTSA-N 2 0 321.465 0.685 20 30 DCEDRP COCC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001755458231 1158143973 /nfs/dbraw/zinc/14/39/73/1158143973.db2.gz AMAQHRQVYZWNGQ-INIZCTEOSA-N 2 0 319.449 0.512 20 30 DCEDRP CC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001691527948 1158213479 /nfs/dbraw/zinc/21/34/79/1158213479.db2.gz JTQUTHSXYVIMPI-IXDOHACOSA-N 2 0 321.465 0.635 20 30 DCEDRP CC#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001755877950 1158319836 /nfs/dbraw/zinc/31/98/36/1158319836.db2.gz FCEOUNUXJKACOU-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[N@@H+](C)CCOCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001691603423 1158353876 /nfs/dbraw/zinc/35/38/76/1158353876.db2.gz CNCKUIJNWIKCAL-UHFFFAOYSA-N 2 0 309.454 0.758 20 30 DCEDRP C#CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001672686410 1158726038 /nfs/dbraw/zinc/72/60/38/1158726038.db2.gz POWVDWXKUHAYJO-INIZCTEOSA-N 2 0 309.454 0.683 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1C ZINC001566094723 1159964278 /nfs/dbraw/zinc/96/42/78/1159964278.db2.gz UFLMJFXFASJUKN-CVEARBPZSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCN1CC[NH+](CCCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001566640995 1160107441 /nfs/dbraw/zinc/10/74/41/1160107441.db2.gz ZQOIXRSUOCTXFR-UHFFFAOYSA-N 2 0 308.470 0.781 20 30 DCEDRP C=CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001567088569 1160235748 /nfs/dbraw/zinc/23/57/48/1160235748.db2.gz PODRUMIPJLOQFS-HNNXBMFYSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCC[C@H](C)O)CC2)CC1 ZINC001569431718 1161059651 /nfs/dbraw/zinc/05/96/51/1161059651.db2.gz ATHKLDBGLDTIRY-HNNXBMFYSA-N 2 0 321.465 0.731 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](CC#CCOC)C1 ZINC001569651781 1161179287 /nfs/dbraw/zinc/17/92/87/1161179287.db2.gz VYDIDJBGPGESHD-QGZVFWFLSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCO1 ZINC001570138965 1161431984 /nfs/dbraw/zinc/43/19/84/1161431984.db2.gz GOEAHJDPMZXIHC-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001570290569 1161546350 /nfs/dbraw/zinc/54/63/50/1161546350.db2.gz AIEBKTRJSWLBFA-RDJZCZTQSA-N 2 0 309.454 0.683 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001570295489 1161552182 /nfs/dbraw/zinc/55/21/82/1161552182.db2.gz IQIWBQZNTFGKLD-AEFFLSMTSA-N 2 0 321.465 0.827 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H](O)C[NH+]1CCCCC1)C2 ZINC001580044097 1165484560 /nfs/dbraw/zinc/48/45/60/1165484560.db2.gz WBVPCHYFTGFIKE-DGNOSDGRSA-N 2 0 320.437 0.089 20 30 DCEDRP N#Cc1ccc(N2CCC([NH2+]C[C@@]3(O)CC[NH2+]C3)CC2)cc1 ZINC001580067135 1165490976 /nfs/dbraw/zinc/49/09/76/1165490976.db2.gz HSJGQXBAOKZRKN-QGZVFWFLSA-N 2 0 300.406 0.841 20 30 DCEDRP N#Cc1ccc(N2CC[NH+](C[C@H](O)C3CC[NH2+]CC3)CC2)nc1 ZINC001580070347 1165491794 /nfs/dbraw/zinc/49/17/94/1165491794.db2.gz VWNSLWLVVAVJGN-INIZCTEOSA-N 2 0 315.421 0.436 20 30 DCEDRP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001656134818 1173844686 /nfs/dbraw/zinc/84/46/86/1173844686.db2.gz FWZMCQGWNNKNBD-GASCZTMLSA-N 2 0 317.437 0.566 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001663628417 1174337146 /nfs/dbraw/zinc/33/71/46/1174337146.db2.gz AIWREKBNEBQSMG-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001666921931 1174648022 /nfs/dbraw/zinc/64/80/22/1174648022.db2.gz VDMCDQWGOSLVIU-KGLIPLIRSA-N 2 0 322.453 0.045 20 30 DCEDRP C=CC[N@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001672034029 1175066302 /nfs/dbraw/zinc/06/63/02/1175066302.db2.gz AGUVQVVWXUVVDY-GOSISDBHSA-N 2 0 321.465 0.847 20 30 DCEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001672043714 1175069578 /nfs/dbraw/zinc/06/95/78/1175069578.db2.gz AOPNPMZHLFZHBR-WMZOPIPTSA-N 2 0 321.465 0.683 20 30 DCEDRP CC[C@@H](C(=O)N1CCC[C@H]2C[N@H+](CC#CCOC)C[C@H]21)[NH+](C)C ZINC001672567533 1175126626 /nfs/dbraw/zinc/12/66/26/1175126626.db2.gz IBFICMRAIROYHV-YESZJQIVSA-N 2 0 321.465 0.899 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCO1 ZINC001673288004 1175185446 /nfs/dbraw/zinc/18/54/46/1175185446.db2.gz CSCBNWCXGLLPOV-IRXDYDNUSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001673675612 1175222044 /nfs/dbraw/zinc/22/20/44/1175222044.db2.gz DBVMLXOMDQISMV-KRWDZBQOSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)CCCn2ccnc2)CC1 ZINC001674110907 1175254959 /nfs/dbraw/zinc/25/49/59/1175254959.db2.gz TXDMKUPXULWUKP-UHFFFAOYSA-N 2 0 318.421 0.630 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001677121336 1175530583 /nfs/dbraw/zinc/53/05/83/1175530583.db2.gz RMQHMCXHPPAUBA-HZPDHXFCSA-N 2 0 309.454 0.683 20 30 DCEDRP C=CCOCC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001677632126 1175588310 /nfs/dbraw/zinc/58/83/10/1175588310.db2.gz HGKPSNPMOIXCDA-INIZCTEOSA-N 2 0 307.438 0.889 20 30 DCEDRP C=CCN1CC[NH+](CCCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001690064735 1177157845 /nfs/dbraw/zinc/15/78/45/1177157845.db2.gz WWGPWMTUEPLJEP-UHFFFAOYSA-N 2 0 308.470 0.638 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001690342022 1177217697 /nfs/dbraw/zinc/21/76/97/1177217697.db2.gz XHSMTNQEWZARIZ-YVECIDJPSA-N 2 0 317.393 0.052 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001690376936 1177228365 /nfs/dbraw/zinc/22/83/65/1177228365.db2.gz RDUDKPVJZJCFRM-HOTGVXAUSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001690628487 1177286874 /nfs/dbraw/zinc/28/68/74/1177286874.db2.gz OHTACZVPUHAZFF-JKSUJKDBSA-N 2 0 309.454 0.995 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001690860075 1177337921 /nfs/dbraw/zinc/33/79/21/1177337921.db2.gz RFAXBUWUEHWNOK-JYJNAYRXSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001698931133 1177726570 /nfs/dbraw/zinc/72/65/70/1177726570.db2.gz GJWDXIBZMJSAJJ-JKSUJKDBSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001699383220 1178112599 /nfs/dbraw/zinc/11/25/99/1178112599.db2.gz AZJRCKDLAHYZOR-CABCVRRESA-N 2 0 324.469 0.503 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001699593990 1178210084 /nfs/dbraw/zinc/21/00/84/1178210084.db2.gz UWAMDZVBOURLDA-GOEBONIOSA-N 2 0 307.438 0.462 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001699593989 1178210155 /nfs/dbraw/zinc/21/01/55/1178210155.db2.gz UWAMDZVBOURLDA-GDBMZVCRSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001699808514 1178292942 /nfs/dbraw/zinc/29/29/42/1178292942.db2.gz LYWRXYQIJYAARF-KRWDZBQOSA-N 2 0 320.481 0.570 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001700236820 1178546009 /nfs/dbraw/zinc/54/60/09/1178546009.db2.gz QWVZKKCFUSBKOI-DOTOQJQBSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001700339624 1178588242 /nfs/dbraw/zinc/58/82/42/1178588242.db2.gz RLOOEVUAMWYQAI-HNNXBMFYSA-N 2 0 307.438 0.295 20 30 DCEDRP COCC#CC[NH2+]CC1CC(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001700375150 1178601353 /nfs/dbraw/zinc/60/13/53/1178601353.db2.gz RDKXHCZURLYHFU-OFLPRAFFSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+]CC1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001700375149 1178601389 /nfs/dbraw/zinc/60/13/89/1178601389.db2.gz RDKXHCZURLYHFU-JCYILVPMSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C2CC[NH+](CC#C)CC2)CCO1 ZINC001700611943 1178680362 /nfs/dbraw/zinc/68/03/62/1178680362.db2.gz SNMGPFDZGGVYEV-RDJZCZTQSA-N 2 0 317.433 0.170 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CC2CCCC2)CC1 ZINC001700807979 1178758260 /nfs/dbraw/zinc/75/82/60/1178758260.db2.gz LBJKOPWOXZKTCO-KRWDZBQOSA-N 2 0 321.465 0.589 20 30 DCEDRP C#CCC[NH2+][C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC1(C)C ZINC001700924264 1178804922 /nfs/dbraw/zinc/80/49/22/1178804922.db2.gz CJGHLAZRHJQMLY-INIZCTEOSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001713205242 1180719260 /nfs/dbraw/zinc/71/92/60/1180719260.db2.gz GELZICVNSTWXEB-MELADBBJSA-N 2 0 320.437 0.010 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCC[C@H](C)O)C2)CC1 ZINC001713208211 1180720208 /nfs/dbraw/zinc/72/02/08/1180720208.db2.gz FGXLCESALFIWBN-BHYGNILZSA-N 2 0 321.465 0.729 20 30 DCEDRP COCC#CC[NH2+]C1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001713290387 1180752934 /nfs/dbraw/zinc/75/29/34/1180752934.db2.gz HBCWTCFKCYOLGC-GTPINHCMSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001714094672 1181240848 /nfs/dbraw/zinc/24/08/48/1181240848.db2.gz QEZQFIFIQKQLJN-JKSUJKDBSA-N 2 0 307.438 0.416 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001714135136 1181258518 /nfs/dbraw/zinc/25/85/18/1181258518.db2.gz SFPMBVBPVJLLOB-CABCVRRESA-N 2 0 324.469 0.600 20 30 DCEDRP C#CCNC(=O)C[NH2+]CC1(NC(=O)[C@H](CC)[NH+](C)C)CCCC1 ZINC001714148424 1181262660 /nfs/dbraw/zinc/26/26/60/1181262660.db2.gz LZCPWVLNQUHUOB-AWEZNQCLSA-N 2 0 322.453 0.095 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001714278655 1181304439 /nfs/dbraw/zinc/30/44/39/1181304439.db2.gz NEDHIGFESXBDKO-GJZGRUSLSA-N 2 0 322.453 0.093 20 30 DCEDRP C=CC[NH+]1CCN(CCN(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001714891730 1181590888 /nfs/dbraw/zinc/59/08/88/1181590888.db2.gz QZLOZUCOYZUKLI-UHFFFAOYSA-N 2 0 322.497 0.980 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001715214121 1181718729 /nfs/dbraw/zinc/71/87/29/1181718729.db2.gz ZFVJXCZLAQNLMU-HUUCEWRRSA-N 2 0 322.453 0.211 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001715449733 1181815477 /nfs/dbraw/zinc/81/54/77/1181815477.db2.gz XYYBMRHAHOEVLY-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2CC[NH2+]CCO)CC1 ZINC001715452599 1181817753 /nfs/dbraw/zinc/81/77/53/1181817753.db2.gz FGQWJWZDSDOGNP-QGZVFWFLSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)C[C@H](C)OC)CC1 ZINC001715540514 1181849790 /nfs/dbraw/zinc/84/97/90/1181849790.db2.gz XGXBTBVKCSYXAT-HNNXBMFYSA-N 2 0 309.454 0.757 20 30 DCEDRP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001716106680 1182194509 /nfs/dbraw/zinc/19/45/09/1182194509.db2.gz DCYJQLCNMGXLGX-DLBZAZTESA-N 2 0 317.433 0.445 20 30 DCEDRP CC#CC[N@H+](C)C[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001716498029 1182414318 /nfs/dbraw/zinc/41/43/18/1182414318.db2.gz MBBXAVDOIHUSNX-AWEZNQCLSA-N 2 0 305.426 0.518 20 30 DCEDRP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001716920540 1182575162 /nfs/dbraw/zinc/57/51/62/1182575162.db2.gz XRXHEHWDGKVYQR-WMZOPIPTSA-N 2 0 319.449 0.580 20 30 DCEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001716925785 1182580941 /nfs/dbraw/zinc/58/09/41/1182580941.db2.gz HUNNKCKBBDAODE-KRWDZBQOSA-N 2 0 307.438 0.295 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)CCO1 ZINC001717172137 1182707910 /nfs/dbraw/zinc/70/79/10/1182707910.db2.gz FZCOTKIDZYQGNC-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCC[NH2+][C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001717277871 1182763836 /nfs/dbraw/zinc/76/38/36/1182763836.db2.gz BHHGGTHXZYROGK-ZBFHGGJFSA-N 2 0 317.437 0.518 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001717293154 1182770009 /nfs/dbraw/zinc/77/00/09/1182770009.db2.gz HMEJMXWXBOBGAH-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1ccnc1 ZINC001717376264 1182808126 /nfs/dbraw/zinc/80/81/26/1182808126.db2.gz NANRBZDUFLAJAP-HNNXBMFYSA-N 2 0 304.394 0.456 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCCOC)CC1 ZINC001717500834 1182865723 /nfs/dbraw/zinc/86/57/23/1182865723.db2.gz YLTCNYHQMLIELP-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001717784384 1183000251 /nfs/dbraw/zinc/00/02/51/1183000251.db2.gz KGIFIJQNRRCGOF-CVEARBPZSA-N 2 0 309.454 0.587 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]1C ZINC001717801519 1183007878 /nfs/dbraw/zinc/00/78/78/1183007878.db2.gz GNHHRZKPROACPX-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001722992180 1184243931 /nfs/dbraw/zinc/24/39/31/1184243931.db2.gz TUJHYGFUZFJNAU-GJZGRUSLSA-N 2 0 322.453 0.306 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001724736659 1184539775 /nfs/dbraw/zinc/53/97/75/1184539775.db2.gz CFBGIOTUNYODFB-GJZGRUSLSA-N 2 0 322.453 0.069 20 30 DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001724908329 1184615288 /nfs/dbraw/zinc/61/52/88/1184615288.db2.gz FRRDWADTCWYGMG-RDJZCZTQSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001725113958 1184688476 /nfs/dbraw/zinc/68/84/76/1184688476.db2.gz PAOQLXLHWIYZMB-ZIAGYGMSSA-N 2 0 305.426 0.564 20 30 DCEDRP CC#CC[NH2+][C@H](CO)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001725540263 1184870593 /nfs/dbraw/zinc/87/05/93/1184870593.db2.gz SGZIRUAOOKZAKJ-AWEZNQCLSA-N 2 0 309.454 0.729 20 30 DCEDRP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001725715356 1184965495 /nfs/dbraw/zinc/96/54/95/1184965495.db2.gz FPFQIQDIKQRNHS-HZPDHXFCSA-N 2 0 309.454 0.635 20 30 DCEDRP C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001725716363 1184965658 /nfs/dbraw/zinc/96/56/58/1184965658.db2.gz XHPAPDMISQDOJE-HOTGVXAUSA-N 2 0 309.454 0.655 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001731297447 1185247163 /nfs/dbraw/zinc/24/71/63/1185247163.db2.gz NNYSWXOADUGRGA-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001731458059 1185343148 /nfs/dbraw/zinc/34/31/48/1185343148.db2.gz SKDNIHQULNNKDO-IHRRRGAJSA-N 2 0 304.394 0.475 20 30 DCEDRP COCC#CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001731574018 1185394720 /nfs/dbraw/zinc/39/47/20/1185394720.db2.gz XUMZDCULUCFQDU-FHERZECASA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001731624156 1185417981 /nfs/dbraw/zinc/41/79/81/1185417981.db2.gz SMPWYMOMALPELR-LSDHHAIUSA-N 2 0 324.469 0.647 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001731859702 1185534158 /nfs/dbraw/zinc/53/41/58/1185534158.db2.gz YGUUXLKSRTVUEJ-JKSUJKDBSA-N 2 0 307.438 0.416 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001732630989 1185880568 /nfs/dbraw/zinc/88/05/68/1185880568.db2.gz RTTNLLYIGXAZBQ-HUUCEWRRSA-N 2 0 322.453 0.259 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001733076713 1186127036 /nfs/dbraw/zinc/12/70/36/1186127036.db2.gz HECVZVQPVCZWNV-JKSUJKDBSA-N 2 0 309.454 0.853 20 30 DCEDRP CC#CC[NH2+]CCCN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001733108625 1186143342 /nfs/dbraw/zinc/14/33/42/1186143342.db2.gz KWYDCULYJOVWFA-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@H](C)OC)CC1 ZINC001733374839 1186245806 /nfs/dbraw/zinc/24/58/06/1186245806.db2.gz BYWSOCBHOBRXSS-HOTGVXAUSA-N 2 0 321.465 0.899 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001733444746 1186272158 /nfs/dbraw/zinc/27/21/58/1186272158.db2.gz FHOWCTOYPPVHSF-YOEHRIQHSA-N 2 0 322.453 0.069 20 30 DCEDRP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001733491645 1186299268 /nfs/dbraw/zinc/29/92/68/1186299268.db2.gz GRFLZVMUNDAOMF-WMZOPIPTSA-N 2 0 315.417 0.476 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC#CCOC)C1 ZINC001733536626 1186325809 /nfs/dbraw/zinc/32/58/09/1186325809.db2.gz URHWLPXMKIHGMV-JKSUJKDBSA-N 2 0 309.454 0.805 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001733885170 1186486183 /nfs/dbraw/zinc/48/61/83/1186486183.db2.gz GIIGDUZUDJIURQ-UHFFFAOYSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001734125073 1186554418 /nfs/dbraw/zinc/55/44/18/1186554418.db2.gz DNKAJCQKKTWBRF-LSDHHAIUSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001734375803 1186631975 /nfs/dbraw/zinc/63/19/75/1186631975.db2.gz XOBIUSQDJRNLLW-CYBMUJFWSA-N 2 0 300.362 0.346 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCCO)C[C@H]2C)CC1 ZINC001734425832 1186649878 /nfs/dbraw/zinc/64/98/78/1186649878.db2.gz CHUIBZNPBNBJCF-ZBFHGGJFSA-N 2 0 307.438 0.293 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001753137454 1188512596 /nfs/dbraw/zinc/51/25/96/1188512596.db2.gz KCLIZPIJQJJZIA-HNNXBMFYSA-N 2 0 305.422 0.170 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001753899499 1188674576 /nfs/dbraw/zinc/67/45/76/1188674576.db2.gz LGASHNNGDGUCSQ-RDJZCZTQSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CCC(C)(C)C)CC1 ZINC001753947195 1188692734 /nfs/dbraw/zinc/69/27/34/1188692734.db2.gz PSFRRLJAYRLJGD-INIZCTEOSA-N 2 0 323.481 0.835 20 30 DCEDRP C#CC[N@@H+](CCOC)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001754558876 1188879428 /nfs/dbraw/zinc/87/94/28/1188879428.db2.gz FZHGBTZFKNVIKD-UHFFFAOYSA-N 2 0 309.454 0.901 20 30 DCEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001754758760 1188925174 /nfs/dbraw/zinc/92/51/74/1188925174.db2.gz DSJPVBBFOOOAPE-RHSMWYFYSA-N 2 0 320.437 0.870 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2cncn2C)C1 ZINC001754758994 1188925631 /nfs/dbraw/zinc/92/56/31/1188925631.db2.gz GYAOJWPVPQFLDJ-MRXNPFEDSA-N 2 0 306.410 0.482 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001754986100 1188987430 /nfs/dbraw/zinc/98/74/30/1188987430.db2.gz RPNGXENANVMGJL-UHFFFAOYSA-N 2 0 307.438 0.607 20 30 DCEDRP C#CCC[NH2+][C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1C ZINC001755109979 1189025652 /nfs/dbraw/zinc/02/56/52/1189025652.db2.gz FYURRLSHYCMVFE-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001755154159 1189038418 /nfs/dbraw/zinc/03/84/18/1189038418.db2.gz FDCYAJKNDUZVMJ-MRXNPFEDSA-N 2 0 321.465 0.826 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]([C@@H](C)[NH2+]CCC)C2)CC1 ZINC001755448899 1189116428 /nfs/dbraw/zinc/11/64/28/1189116428.db2.gz YUNIDVYQJIDHMQ-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+]C1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001755857413 1189236761 /nfs/dbraw/zinc/23/67/61/1189236761.db2.gz MRKKQIZCSNMAMU-UHFFFAOYSA-N 2 0 307.438 0.700 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1 ZINC001106910687 751553126 /nfs/dbraw/zinc/55/31/26/751553126.db2.gz JZYGZGFWYTYMEN-HZPDHXFCSA-N 2 0 309.454 0.662 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](CCO)[C@H]3C2)CC1 ZINC001042367457 751603213 /nfs/dbraw/zinc/60/32/13/751603213.db2.gz HSFFPDTWCJJJLX-RDJZCZTQSA-N 2 0 319.449 0.247 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001100446978 747055982 /nfs/dbraw/zinc/05/59/82/747055982.db2.gz JNZALESVDOJGPL-NRXISQOPSA-N 2 0 322.453 0.257 20 30 DCEDRP C=C(C)C[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001098561143 747339555 /nfs/dbraw/zinc/33/95/55/747339555.db2.gz UFLWZSWRBSRXEU-HNNXBMFYSA-N 2 0 309.454 0.800 20 30 DCEDRP C#CCC[NH2+]CC1(CCNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001167563293 747382221 /nfs/dbraw/zinc/38/22/21/747382221.db2.gz HOKNDVMVTQBBIE-UHFFFAOYSA-N 2 0 321.465 0.997 20 30 DCEDRP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001098572522 747448169 /nfs/dbraw/zinc/44/81/69/747448169.db2.gz MIZGMIQMTHREKQ-QGZVFWFLSA-N 2 0 321.465 0.779 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167655505 747452966 /nfs/dbraw/zinc/45/29/66/747452966.db2.gz RSDTXLHMRFHTET-UHFFFAOYSA-N 2 0 310.442 0.116 20 30 DCEDRP COCC#CC[NH2+]CC1(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001167737402 747977642 /nfs/dbraw/zinc/97/76/42/747977642.db2.gz SGEKDDWMCHEAKQ-INIZCTEOSA-N 2 0 321.465 0.854 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088172687 749277868 /nfs/dbraw/zinc/27/78/68/749277868.db2.gz ZLTBWBYOHXFPOD-CVEARBPZSA-N 2 0 301.434 0.886 20 30 DCEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(CC)CCO3)C[C@@H]2C1 ZINC001088208232 749290121 /nfs/dbraw/zinc/29/01/21/749290121.db2.gz RFLVCNVHKAXOJL-PMPSAXMXSA-N 2 0 307.438 0.673 20 30 DCEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001168178097 749581785 /nfs/dbraw/zinc/58/17/85/749581785.db2.gz PSYUNIGXLKUOGH-MRXNPFEDSA-N 2 0 321.465 0.854 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC#CCOC)C1 ZINC001101035909 749981898 /nfs/dbraw/zinc/98/18/98/749981898.db2.gz DMCVRXRBSHWUSY-OFLPRAFFSA-N 2 0 321.465 0.995 20 30 DCEDRP CC#CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@@H](O)C1 ZINC001083719386 751032319 /nfs/dbraw/zinc/03/23/19/751032319.db2.gz BNBNZURSPGWGPO-OAGGEKHMSA-N 2 0 307.438 0.293 20 30 DCEDRP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001046567400 751032430 /nfs/dbraw/zinc/03/24/30/751032430.db2.gz IOEIAFKVPUGMEK-RDJZCZTQSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCCN2CCCC)C[C@H]1C ZINC001106479758 751163716 /nfs/dbraw/zinc/16/37/16/751163716.db2.gz PNDTUVMMENTQCF-BRWVUGGUSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC=C(C)C)C[C@H]2O)CC1 ZINC001078227079 753122255 /nfs/dbraw/zinc/12/22/55/753122255.db2.gz IBONGOCAFXMPJQ-IAGOWNOFSA-N 2 0 319.449 0.459 20 30 DCEDRP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001045685943 753294215 /nfs/dbraw/zinc/29/42/15/753294215.db2.gz LDNMPGAKXYYMLM-HZPDHXFCSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001046035121 753438274 /nfs/dbraw/zinc/43/82/74/753438274.db2.gz FCPVMHXFHZPKTO-QGZVFWFLSA-N 2 0 318.465 0.322 20 30 DCEDRP C=CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001046064349 753459071 /nfs/dbraw/zinc/45/90/71/753459071.db2.gz LKNCGBWXKQQODZ-SJORKVTESA-N 2 0 320.481 0.733 20 30 DCEDRP C=C(C)C[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046082476 753471957 /nfs/dbraw/zinc/47/19/57/753471957.db2.gz SDKVXLPVDFREFT-SJORKVTESA-N 2 0 320.481 0.733 20 30 DCEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001047553707 754386045 /nfs/dbraw/zinc/38/60/45/754386045.db2.gz SPWWXQIICWKRJZ-ULQDDVLXSA-N 2 0 321.465 0.778 20 30 DCEDRP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833285 754967900 /nfs/dbraw/zinc/96/79/00/754967900.db2.gz MSUYTVGSGVCSIZ-YVSFHVDLSA-N 2 0 319.449 0.816 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CCCO)C2)CC1 ZINC001072095601 762352996 /nfs/dbraw/zinc/35/29/96/762352996.db2.gz LGPHEGWCHZHLCU-RDJZCZTQSA-N 2 0 321.465 0.683 20 30 DCEDRP C=CC[N@@H+]1C[C@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049135919 755141934 /nfs/dbraw/zinc/14/19/34/755141934.db2.gz OGPJWYXQZHAWAG-GASCZTMLSA-N 2 0 307.438 0.673 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001081979520 756891143 /nfs/dbraw/zinc/89/11/43/756891143.db2.gz BKIOTWAKJJOQCO-ZACQAIPSSA-N 2 0 319.449 0.700 20 30 DCEDRP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c[nH+]cn4c3)[C@H]2C1 ZINC001083144783 757523168 /nfs/dbraw/zinc/52/31/68/757523168.db2.gz ZOISPBKNIRABII-DLBZAZTESA-N 2 0 324.384 0.883 20 30 DCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)CC1 ZINC001050525940 757797301 /nfs/dbraw/zinc/79/73/01/757797301.db2.gz ORBHEMUWBXJCSK-HOTGVXAUSA-N 2 0 317.433 0.407 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)CC[N@@H+](C)CC ZINC001170222970 762578040 /nfs/dbraw/zinc/57/80/40/762578040.db2.gz PQBCREIQYGRFPR-UHFFFAOYSA-N 2 0 324.469 0.625 20 30 DCEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001098368498 758793384 /nfs/dbraw/zinc/79/33/84/758793384.db2.gz QXLJNHDCAGKPTR-QGZVFWFLSA-N 2 0 319.449 0.247 20 30 DCEDRP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001098369136 758794534 /nfs/dbraw/zinc/79/45/34/758794534.db2.gz RDBQQHBZBLLZDY-QGZVFWFLSA-N 2 0 321.465 0.778 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1C)C[C@H](C)O2 ZINC001098570338 762691956 /nfs/dbraw/zinc/69/19/56/762691956.db2.gz HTBQINMXXBXYNU-JKSUJKDBSA-N 2 0 319.449 0.796 20 30 DCEDRP C#CCC[NH+](CCO)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001098392598 759243887 /nfs/dbraw/zinc/24/38/87/759243887.db2.gz VMZOHDZNXKNHIX-UHFFFAOYSA-N 2 0 321.465 0.779 20 30 DCEDRP C=CCOCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100084168 760188726 /nfs/dbraw/zinc/18/87/26/760188726.db2.gz YCIRPECFDXVVEG-CABCVRRESA-N 2 0 313.442 0.082 20 30 DCEDRP C=C(Cl)C[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169541359 760718126 /nfs/dbraw/zinc/71/81/26/760718126.db2.gz JHQSIZDWRNYYRZ-UHFFFAOYSA-N 2 0 303.834 0.946 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169799646 760848319 /nfs/dbraw/zinc/84/83/19/760848319.db2.gz WPNQRUGLUOTVKH-LSDHHAIUSA-N 2 0 324.469 0.647 20 30 DCEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158513 761112862 /nfs/dbraw/zinc/11/28/62/761112862.db2.gz NULJVDBQGFLQPN-KFWWJZLASA-N 2 0 318.425 0.290 20 30 DCEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC001090437201 761691444 /nfs/dbraw/zinc/69/14/44/761691444.db2.gz ZLVVMWWLKXDAGW-JKSUJKDBSA-N 2 0 312.373 0.523 20 30 DCEDRP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC001071241562 761733164 /nfs/dbraw/zinc/73/31/64/761733164.db2.gz WTSNZTNMXWBJEX-NVXWUHKLSA-N 2 0 305.422 0.407 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130107372 763126976 /nfs/dbraw/zinc/12/69/76/763126976.db2.gz MNXZBMORXVXWHL-KGLIPLIRSA-N 2 0 306.414 0.147 20 30 DCEDRP C=CCOCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001100064586 763272552 /nfs/dbraw/zinc/27/25/52/763272552.db2.gz OLVVLXJPYHLATL-GJZGRUSLSA-N 2 0 313.442 0.082 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[NH+]2CCCC2)C1 ZINC001130446915 763311519 /nfs/dbraw/zinc/31/15/19/763311519.db2.gz UCAZQHVFEXQYOP-CQSZACIVSA-N 2 0 315.421 0.544 20 30 DCEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100114329 763323769 /nfs/dbraw/zinc/32/37/69/763323769.db2.gz LSXVXQMCNZHBIJ-CVEARBPZSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100125068 763333881 /nfs/dbraw/zinc/33/38/81/763333881.db2.gz RJBKBPQZYQUDJC-CVEARBPZSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100127575 763335901 /nfs/dbraw/zinc/33/59/01/763335901.db2.gz WZKNLSBILPIWKU-HOTGVXAUSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130810134 763501612 /nfs/dbraw/zinc/50/16/12/763501612.db2.gz OTOYUCBPIWSNKU-CYBMUJFWSA-N 2 0 308.426 0.011 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130874649 763548156 /nfs/dbraw/zinc/54/81/56/763548156.db2.gz IINULADQASWELQ-GFCCVEGCSA-N 2 0 315.377 0.344 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100620990 763686158 /nfs/dbraw/zinc/68/61/58/763686158.db2.gz HGUJCQCPRGPYSN-NFOMZHRRSA-N 2 0 324.469 0.503 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001100678860 763720884 /nfs/dbraw/zinc/72/08/84/763720884.db2.gz ZNPSBVWVCXFVTQ-QQFBHYJXSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](CC)CC)C[C@@H](C)O2 ZINC001131691934 763951220 /nfs/dbraw/zinc/95/12/20/763951220.db2.gz BRBFLFHXBKNEHG-NVXWUHKLSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158509045 764133204 /nfs/dbraw/zinc/13/32/04/764133204.db2.gz ZAWUBKYUBYUALY-GJZGRUSLSA-N 2 0 311.426 0.148 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815761 764344848 /nfs/dbraw/zinc/34/48/48/764344848.db2.gz RLVUEKQGJAZCEH-BZUAXINKSA-N 2 0 307.438 0.415 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133833718 765164113 /nfs/dbraw/zinc/16/41/13/765164113.db2.gz DKLGARSSKUDBPF-HNNXBMFYSA-N 2 0 322.453 0.377 20 30 DCEDRP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111917235 765426576 /nfs/dbraw/zinc/42/65/76/765426576.db2.gz RVOMSDOFSSCUAY-YJBOKZPZSA-N 2 0 319.449 0.701 20 30 DCEDRP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001115118971 765596059 /nfs/dbraw/zinc/59/60/59/765596059.db2.gz OUQQKQABOYTLIU-LJIGWXMPSA-N 2 0 307.438 0.577 20 30 DCEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001134736661 765650223 /nfs/dbraw/zinc/65/02/23/765650223.db2.gz HXXCLVZLXKJPDH-HUUCEWRRSA-N 2 0 309.454 0.851 20 30 DCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001124873224 768318801 /nfs/dbraw/zinc/31/88/01/768318801.db2.gz UBGPEFPUSBPGAZ-OAHLLOKOSA-N 2 0 304.369 0.997 20 30 DCEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135651505 766023097 /nfs/dbraw/zinc/02/30/97/766023097.db2.gz LYTAGRGABQDNGP-HUUCEWRRSA-N 2 0 319.453 0.955 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001136524932 766318070 /nfs/dbraw/zinc/31/80/70/766318070.db2.gz RKNFNJGEHUUHES-CQSZACIVSA-N 2 0 308.426 0.045 20 30 DCEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090610887 766373271 /nfs/dbraw/zinc/37/32/71/766373271.db2.gz WOTMRKWKGNBOPJ-HZPDHXFCSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC=C)C[C@@H]2O)CC1 ZINC001090829478 766647261 /nfs/dbraw/zinc/64/72/61/766647261.db2.gz BTDBIKVFSXDSOS-CVEARBPZSA-N 2 0 305.422 0.069 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C(C)C)C[C@H]2O)CC1 ZINC001090830802 766649681 /nfs/dbraw/zinc/64/96/81/766649681.db2.gz OWHQSIZRQLAZSQ-HZPDHXFCSA-N 2 0 307.438 0.291 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001171225867 767049439 /nfs/dbraw/zinc/04/94/39/767049439.db2.gz AMCBMXYAYZEOLD-GJZGRUSLSA-N 2 0 322.453 0.211 20 30 DCEDRP COCC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001122177974 767733403 /nfs/dbraw/zinc/73/34/03/767733403.db2.gz PUPMWGIEJRQLRT-JFPDKAJLSA-N 2 0 319.449 0.605 20 30 DCEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CC[NH+](C)CC1 ZINC001115039032 767797552 /nfs/dbraw/zinc/79/75/52/767797552.db2.gz RVHZUTQVAUXWMO-QLPKVWCKSA-N 2 0 307.438 0.720 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001147788141 767848132 /nfs/dbraw/zinc/84/81/32/767848132.db2.gz XCISXKOAHBWRGV-MRXNPFEDSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2conc2C)CC1 ZINC001176926153 770225238 /nfs/dbraw/zinc/22/52/38/770225238.db2.gz HPKJJLMQBVRPAN-UHFFFAOYSA-N 2 0 318.421 0.924 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176930819 770230350 /nfs/dbraw/zinc/23/03/50/770230350.db2.gz QKMCILNSSXAEKA-UHFFFAOYSA-N 2 0 310.442 0.261 20 30 DCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001155743549 770605694 /nfs/dbraw/zinc/60/56/94/770605694.db2.gz IIECWSHNRKFBJU-CQSZACIVSA-N 2 0 305.426 0.518 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179924681 771034899 /nfs/dbraw/zinc/03/48/99/771034899.db2.gz DWRPFGVPESTMNN-XHSDSOJGSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180131354 771061134 /nfs/dbraw/zinc/06/11/34/771061134.db2.gz ABRFBEQZABXHKI-KKUMJFAQSA-N 2 0 322.453 0.352 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180131353 771061207 /nfs/dbraw/zinc/06/12/07/771061207.db2.gz ABRFBEQZABXHKI-ILXRZTDVSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)[C@H]1C ZINC001180204673 771073774 /nfs/dbraw/zinc/07/37/74/771073774.db2.gz YXFIZBHUMKOBMS-RDJZCZTQSA-N 2 0 301.434 0.934 20 30 DCEDRP C=C1C[NH2+][C@](C)(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)C1 ZINC001157379148 771598834 /nfs/dbraw/zinc/59/88/34/771598834.db2.gz IKKZWBNWFWKAHF-YOEHRIQHSA-N 2 0 322.453 0.531 20 30 DCEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CN(C)CCO1 ZINC001157749203 771663307 /nfs/dbraw/zinc/66/33/07/771663307.db2.gz ZCCMQRLXZZLZHL-HZPDHXFCSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001158337405 771761898 /nfs/dbraw/zinc/76/18/98/771761898.db2.gz MZUKXOBZRKEQNR-UONOGXRCSA-N 2 0 310.442 0.115 20 30 DCEDRP C=CCOCC[NH2+]CCCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001159162220 771869023 /nfs/dbraw/zinc/86/90/23/771869023.db2.gz PXJBIZXLNKUTKE-CQSZACIVSA-N 2 0 303.422 0.965 20 30 DCEDRP C#C[C@](C)([NH3+])C(=O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159561036 771928756 /nfs/dbraw/zinc/92/87/56/771928756.db2.gz UZXXFAYJAKZQQR-KRWDZBQOSA-N 2 0 315.421 0.608 20 30 DCEDRP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001160196439 772007476 /nfs/dbraw/zinc/00/74/76/772007476.db2.gz SFHLUHJYMQZYGH-SJORKVTESA-N 2 0 317.433 0.621 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CC12CCOCC2 ZINC001186410176 772039703 /nfs/dbraw/zinc/03/97/03/772039703.db2.gz PETLTKIZJITQKL-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C)(COC)CC1 ZINC001162171291 772335774 /nfs/dbraw/zinc/33/57/74/772335774.db2.gz MMFISZFQXWLXMQ-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163222986 772483804 /nfs/dbraw/zinc/48/38/04/772483804.db2.gz DBXFWLNKBUZAGA-MRXNPFEDSA-N 2 0 322.453 0.259 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190195273 772604871 /nfs/dbraw/zinc/60/48/71/772604871.db2.gz DBEUIXRTWXHNPB-IRXDYDNUSA-N 2 0 319.449 0.511 20 30 DCEDRP COCC#CC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001165484492 772742407 /nfs/dbraw/zinc/74/24/07/772742407.db2.gz FUOJEZWUPANROU-INIZCTEOSA-N 2 0 321.465 0.853 20 30 DCEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001166249500 772795954 /nfs/dbraw/zinc/79/59/54/772795954.db2.gz JROFDZRWQRSQHW-SWKXRBFHSA-N 2 0 319.449 0.912 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001166446327 772811619 /nfs/dbraw/zinc/81/16/19/772811619.db2.gz BQWQCFLOEXVHRL-HUUCEWRRSA-N 2 0 324.469 0.341 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001166751003 772855949 /nfs/dbraw/zinc/85/59/49/772855949.db2.gz PGXMQCBUBZTQIP-CQSZACIVSA-N 2 0 324.469 0.198 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CC#CCOC)C12CCC2 ZINC001203576995 772914662 /nfs/dbraw/zinc/91/46/62/772914662.db2.gz MJPCRXROJXLUQZ-JKSUJKDBSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001205526099 772998271 /nfs/dbraw/zinc/99/82/71/772998271.db2.gz DDOXOYTZGQCGER-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001193078419 773001246 /nfs/dbraw/zinc/00/12/46/773001246.db2.gz SOQLHIWHRDXVSC-HNNXBMFYSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCOCC)C2)CC1 ZINC001194245485 773167538 /nfs/dbraw/zinc/16/75/38/773167538.db2.gz AYBGQBFCAKEBNU-KRWDZBQOSA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207550984 773235585 /nfs/dbraw/zinc/23/55/85/773235585.db2.gz PWBXJKGWKZVMPK-BMFZPTHFSA-N 2 0 307.438 0.413 20 30 DCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001208639391 773509857 /nfs/dbraw/zinc/50/98/57/773509857.db2.gz QHUWJSBFSJFFHI-NDUQDZPOSA-N 2 0 317.433 0.454 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209304213 773588199 /nfs/dbraw/zinc/58/81/99/773588199.db2.gz OYTMVABFGVEQHV-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001209486027 773608843 /nfs/dbraw/zinc/60/88/43/773608843.db2.gz VALVAPVGKVNREP-HZPDHXFCSA-N 2 0 309.454 0.803 20 30 DCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001209716022 773639036 /nfs/dbraw/zinc/63/90/36/773639036.db2.gz OOLYUFAXMMQYLR-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCOC2CCC2)CC1 ZINC001152330501 773730617 /nfs/dbraw/zinc/73/06/17/773730617.db2.gz QGIQXIQEDKYDMF-UHFFFAOYSA-N 2 0 307.438 0.607 20 30 DCEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210685803 773730947 /nfs/dbraw/zinc/73/09/47/773730947.db2.gz ZWBBUZQDLOJLTN-OAHLLOKOSA-N 2 0 307.438 0.865 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210812399 773741395 /nfs/dbraw/zinc/74/13/95/773741395.db2.gz ZHIGZKDFGIIPER-GJZGRUSLSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211090714 773769518 /nfs/dbraw/zinc/76/95/18/773769518.db2.gz LECWXOWDTFNLLQ-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CC#CC)C2)CC1 ZINC001211233503 773784399 /nfs/dbraw/zinc/78/43/99/773784399.db2.gz GXDDEGHZPCBAOM-QGZVFWFLSA-N 2 0 301.434 0.936 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214610707 774002670 /nfs/dbraw/zinc/00/26/70/774002670.db2.gz CJYCSHUBSWQSRF-ZACQAIPSSA-N 2 0 321.465 0.946 20 30 DCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214646461 774005469 /nfs/dbraw/zinc/00/54/69/774005469.db2.gz TUQQZNGMJPZGOD-HYVNUMGLSA-N 2 0 321.465 0.967 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC#CCOC)C2)CC[N@@H+]1C ZINC001214665410 774005940 /nfs/dbraw/zinc/00/59/40/774005940.db2.gz AVWSMOHRCZIGKE-YYIAUSFCSA-N 2 0 321.465 0.803 20 30 DCEDRP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199128049 774033418 /nfs/dbraw/zinc/03/34/18/774033418.db2.gz MWVCSTFYBWLCNM-BZUAXINKSA-N 2 0 309.454 0.844 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215536089 774081825 /nfs/dbraw/zinc/08/18/25/774081825.db2.gz HRBZYIYEJOQPOL-RBSFLKMASA-N 2 0 322.453 0.209 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001216490471 774119155 /nfs/dbraw/zinc/11/91/55/774119155.db2.gz FFCWUNCTFFOYQT-HUUCEWRRSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001199827350 774218643 /nfs/dbraw/zinc/21/86/43/774218643.db2.gz VFWBQTMMEXUJAN-ZFWWWQNUSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCCO1 ZINC001200887536 774425307 /nfs/dbraw/zinc/42/53/07/774425307.db2.gz NNNDHQUZBYTWBS-HNNXBMFYSA-N 2 0 305.422 0.455 20 30 DCEDRP N#Cc1ccc(F)c(F)c1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219315073 774446033 /nfs/dbraw/zinc/44/60/33/774446033.db2.gz QUWSOQNUQCJEDL-MEBBXXQBSA-N 2 0 306.316 0.974 20 30 DCEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219732147 774593282 /nfs/dbraw/zinc/59/32/82/774593282.db2.gz OVRZXYVCLNRVAA-ZNMIVQPWSA-N 2 0 315.433 0.794 20 30 DCEDRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001220043474 774679121 /nfs/dbraw/zinc/67/91/21/774679121.db2.gz SXOYHRSJAKYPQS-AWEZNQCLSA-N 2 0 310.361 0.212 20 30 DCEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220057613 774683843 /nfs/dbraw/zinc/68/38/43/774683843.db2.gz DQBXIXHUFHETCQ-IXDOHACOSA-N 2 0 321.465 0.988 20 30 DCEDRP O=C(/C=C/NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(F)(F)F ZINC001220343550 774780140 /nfs/dbraw/zinc/78/01/40/774780140.db2.gz SBXRUNPUEDGVPJ-BBJBCUTESA-N 2 0 305.300 0.622 20 30 DCEDRP N#Cc1ccccc1OCCCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220684880 774889970 /nfs/dbraw/zinc/88/99/70/774889970.db2.gz FQFJDXBDCQGHEH-INIZCTEOSA-N 2 0 316.405 0.770 20 30 DCEDRP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768460 774911241 /nfs/dbraw/zinc/91/12/41/774911241.db2.gz MZRSEIIVUDDRPK-ZNMIVQPWSA-N 2 0 313.442 0.081 20 30 DCEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081633 774991598 /nfs/dbraw/zinc/99/15/98/774991598.db2.gz QRLCYKNKBTVEHF-CVEARBPZSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001111022904 775403743 /nfs/dbraw/zinc/40/37/43/775403743.db2.gz YEFRMVGATNWZFP-HZMVEIRTSA-N 2 0 319.449 0.842 20 30 DCEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001111411610 775847711 /nfs/dbraw/zinc/84/77/11/775847711.db2.gz SIQAUFNNSBGKFV-HZMVEIRTSA-N 2 0 319.449 0.700 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114746244 776094715 /nfs/dbraw/zinc/09/47/15/776094715.db2.gz OMRRUHFHRRMEET-TTZDDIAXSA-N 2 0 322.453 0.065 20 30 DCEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#CCOC ZINC001229869021 776231614 /nfs/dbraw/zinc/23/16/14/776231614.db2.gz VCBUVMGSHAAOFM-HZPDHXFCSA-N 2 0 309.454 0.995 20 30 DCEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC001041167705 777104201 /nfs/dbraw/zinc/10/42/01/777104201.db2.gz PUPQRBKKOFTLTL-RDJZCZTQSA-N 2 0 305.422 0.265 20 30 DCEDRP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317861139 945210751 /nfs/dbraw/zinc/21/07/51/945210751.db2.gz MRCYTUACPHFVEC-LSDHHAIUSA-N 2 0 322.453 0.021 20 30 DCEDRP C=CCNC(=O)CN1CCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266488416 939132942 /nfs/dbraw/zinc/13/29/42/939132942.db2.gz IYERTZGMEMZDDK-LSDHHAIUSA-N 2 0 322.453 0.211 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001266601589 939175905 /nfs/dbraw/zinc/17/59/05/939175905.db2.gz HFWBCCNXPNQAPU-QAETUUGQSA-N 2 0 319.449 0.890 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C[C@H](C)O)C2CC2)CC1 ZINC001266621572 939181811 /nfs/dbraw/zinc/18/18/11/939181811.db2.gz GKFPZQBUCYJUNB-AWEZNQCLSA-N 2 0 307.438 0.293 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001267041229 939321178 /nfs/dbraw/zinc/32/11/78/939321178.db2.gz MAYCUXTURWMCNL-DOTOQJQBSA-N 2 0 319.449 0.416 20 30 DCEDRP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001267087281 939336469 /nfs/dbraw/zinc/33/64/69/939336469.db2.gz YQVOLHKMMBBCDA-HOTGVXAUSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCn1cccn1 ZINC001267132860 939354545 /nfs/dbraw/zinc/35/45/45/939354545.db2.gz TXHOHLSUFMCBMY-CVEARBPZSA-N 2 0 317.437 0.465 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001267565849 939502024 /nfs/dbraw/zinc/50/20/24/939502024.db2.gz VVLJIQMWLQHOMG-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001481055350 939542321 /nfs/dbraw/zinc/54/23/21/939542321.db2.gz DJTNMXCLWURHLJ-KGLIPLIRSA-N 2 0 310.442 0.209 20 30 DCEDRP CC#CC[N@H+](CCNC(=O)c1ccn(CC[NH+](C)C)n1)C1CC1 ZINC001481170139 939593264 /nfs/dbraw/zinc/59/32/64/939593264.db2.gz FYKPABJPEDCPGL-UHFFFAOYSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001268325573 940060813 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CC#CC[NH2+]C[C@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001270542822 940920013 /nfs/dbraw/zinc/92/00/13/940920013.db2.gz HJMQNGLIHDCIBC-AWEZNQCLSA-N 2 0 305.426 0.424 20 30 DCEDRP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)CCn2ccnc2)C1 ZINC001270768074 940985723 /nfs/dbraw/zinc/98/57/23/940985723.db2.gz BVHUUPNKXZANGP-KRWDZBQOSA-N 2 0 318.421 0.751 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001482344251 941010742 /nfs/dbraw/zinc/01/07/42/941010742.db2.gz MWWXWXHTDYOEES-OAHLLOKOSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCOCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001271711764 941427447 /nfs/dbraw/zinc/42/74/47/941427447.db2.gz LXWGOASCYFEAHZ-CVEARBPZSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]C[C@@H](CC)OC)CC1 ZINC001483198040 941932387 /nfs/dbraw/zinc/93/23/87/941932387.db2.gz KTIXGLUYBDFSQM-GDBMZVCRSA-N 2 0 309.454 0.851 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC#CCOC ZINC001496908225 942329354 /nfs/dbraw/zinc/32/93/54/942329354.db2.gz LZTWMPYKXQCACG-HOTGVXAUSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+][C@H](C)COC)C2CC2)CC1 ZINC001483609279 942462068 /nfs/dbraw/zinc/46/20/68/942462068.db2.gz ZEXRRQXJRAOAHC-RHSMWYFYSA-N 2 0 321.465 0.851 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001272617570 942870142 /nfs/dbraw/zinc/87/01/42/942870142.db2.gz XIGOGTPUZBSNBU-IAGOWNOFSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCO)C[C@@H]2C)CC1 ZINC001483913054 943019590 /nfs/dbraw/zinc/01/95/90/943019590.db2.gz FDJIROLKIODMGN-DOTOQJQBSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)C[NH+]3CCCC3)C2)CC1 ZINC001483979620 943066144 /nfs/dbraw/zinc/06/61/44/943066144.db2.gz LZYOQCKYIJSGSP-MRXNPFEDSA-N 2 0 319.449 0.703 20 30 DCEDRP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCOCC1 ZINC001484182475 943178530 /nfs/dbraw/zinc/17/85/30/943178530.db2.gz XJVRNHPOCNIXHP-OAHLLOKOSA-N 2 0 307.438 0.769 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001490902356 943591734 /nfs/dbraw/zinc/59/17/34/943591734.db2.gz NDMPSMPHDHNWLM-YDHLFZDLSA-N 2 0 310.442 0.112 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001484856112 943602014 /nfs/dbraw/zinc/60/20/14/943602014.db2.gz NYPQSYOFOUGSIQ-SJLPKXTDSA-N 2 0 321.465 0.827 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001485179897 943736749 /nfs/dbraw/zinc/73/67/49/943736749.db2.gz KKFRJFYQVNZGNB-ZIAGYGMSSA-N 2 0 324.469 0.646 20 30 DCEDRP C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001486027913 944509019 /nfs/dbraw/zinc/50/90/19/944509019.db2.gz QDSRZZYQSALSTC-GOEBONIOSA-N 2 0 307.438 0.483 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001277092538 944660365 /nfs/dbraw/zinc/66/03/65/944660365.db2.gz GEAGBZQAGGHNOQ-QAQDUYKDSA-N 2 0 321.465 0.997 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001317416293 944961465 /nfs/dbraw/zinc/96/14/65/944961465.db2.gz TWBQWVHXCDWLPF-GJZGRUSLSA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246307205 945380363 /nfs/dbraw/zinc/38/03/63/945380363.db2.gz KHBQTMSFMPEZHS-KGLIPLIRSA-N 2 0 311.426 0.324 20 30 DCEDRP COCC#CC[NH+]1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001319031421 945484405 /nfs/dbraw/zinc/48/44/05/945484405.db2.gz ILBWAHLXZHDGEH-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001321661827 946419651 /nfs/dbraw/zinc/41/96/51/946419651.db2.gz CRCOZRABBJRUBB-HUUCEWRRSA-N 2 0 322.453 0.095 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001278817379 946437581 /nfs/dbraw/zinc/43/75/81/946437581.db2.gz OYXQNEBKZGHZGM-MRXNPFEDSA-N 2 0 303.406 0.404 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001278821303 946442830 /nfs/dbraw/zinc/44/28/30/946442830.db2.gz DBJHYDJAWJIWNP-QGZVFWFLSA-N 2 0 321.465 0.541 20 30 DCEDRP C[NH+]1CCC(C#N)(NC(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC001262152761 947585593 /nfs/dbraw/zinc/58/55/93/947585593.db2.gz FNXRGROLASKSMR-UHFFFAOYSA-N 2 0 306.410 0.201 20 30 DCEDRP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001325099084 947652228 /nfs/dbraw/zinc/65/22/28/947652228.db2.gz VHFTWQSKESDCMF-DOTOQJQBSA-N 2 0 307.438 0.457 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CC#CCOC)C2 ZINC001325351733 947765026 /nfs/dbraw/zinc/76/50/26/947765026.db2.gz NSFAAZJYYFZECU-BBWFWOEESA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCN1CC[C@@]2(CCC[N@H+]2CCCN2CC[NH+](C)CC2)C1=O ZINC001273728297 948052077 /nfs/dbraw/zinc/05/20/77/948052077.db2.gz LAPCVTAWCAELPT-SFHVURJKSA-N 2 0 320.481 0.877 20 30 DCEDRP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001327602882 948566515 /nfs/dbraw/zinc/56/65/15/948566515.db2.gz IPAOMGUYTKQSGU-DOTOQJQBSA-N 2 0 309.454 0.847 20 30 DCEDRP C=CCC[NH2+]CC1(O)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001328197963 948740484 /nfs/dbraw/zinc/74/04/84/948740484.db2.gz GHISRCVHOPLUOM-HNNXBMFYSA-N 2 0 309.454 0.847 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001263879279 948795888 /nfs/dbraw/zinc/79/58/88/948795888.db2.gz UUEQMRMJWSUILT-JYJNAYRXSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1CC ZINC001264611676 949023448 /nfs/dbraw/zinc/02/34/48/949023448.db2.gz QQKSJKBWTBOPGP-JKSUJKDBSA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1C ZINC001264708828 949085874 /nfs/dbraw/zinc/08/58/74/949085874.db2.gz VATLYLJMDXSHSQ-CVEARBPZSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001488794538 949244739 /nfs/dbraw/zinc/24/47/39/949244739.db2.gz UDICOHPEXKPLMB-SOUVJXGZSA-N 2 0 322.453 0.257 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001265544305 949760220 /nfs/dbraw/zinc/76/02/20/949760220.db2.gz HFWBCCNXPNQAPU-VVLHAWIVSA-N 2 0 319.449 0.890 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001265556132 949768033 /nfs/dbraw/zinc/76/80/33/949768033.db2.gz UDRYEIWYNDGXGW-YUELXQCFSA-N 2 0 322.453 0.256 20 30 DCEDRP C=CCOCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265596773 949800412 /nfs/dbraw/zinc/80/04/12/949800412.db2.gz KAAAIFRUMMPIIB-JKSUJKDBSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001265975633 950222786 /nfs/dbraw/zinc/22/27/86/950222786.db2.gz DCUPSDZQNDXBTE-BZUAXINKSA-N 2 0 309.454 0.967 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001265979307 950227915 /nfs/dbraw/zinc/22/79/15/950227915.db2.gz IWTRCNMMDMYBRW-QLFBSQMISA-N 2 0 322.453 0.067 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001265983020 950229010 /nfs/dbraw/zinc/22/90/10/950229010.db2.gz LKJIIOHEWRDXFJ-AWEZNQCLSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CCC[NH2+][C@H](C)[C@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001330429126 950389439 /nfs/dbraw/zinc/38/94/39/950389439.db2.gz ZGSJUJGAYMXACH-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001266182517 950450030 /nfs/dbraw/zinc/45/00/30/950450030.db2.gz JSKNSLAKVUFQOB-KGLIPLIRSA-N 2 0 322.453 0.257 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001331439008 951118573 /nfs/dbraw/zinc/11/85/73/951118573.db2.gz LNSLIKJAUBIPEV-CABCVRRESA-N 2 0 324.469 0.598 20 30 DCEDRP C=CCOC(=O)[C@@H](N)CC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC001331968233 951413659 /nfs/dbraw/zinc/41/36/59/951413659.db2.gz GDOZUVQHASGQRY-LRDDRELGSA-N 2 0 311.426 0.657 20 30 DCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001281460523 951508759 /nfs/dbraw/zinc/50/87/59/951508759.db2.gz ZSWHURMQUDZPCP-LSDHHAIUSA-N 2 0 307.438 0.721 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001281676990 951596220 /nfs/dbraw/zinc/59/62/20/951596220.db2.gz SDKMGSPVSDRYRX-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP C=C[C@@](C)(O)C[N@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274614348 951739257 /nfs/dbraw/zinc/73/92/57/951739257.db2.gz FLVAPXNWGZIKTR-IAGOWNOFSA-N 2 0 323.437 0.326 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001274663255 951773060 /nfs/dbraw/zinc/77/30/60/951773060.db2.gz SXUSHYQQJAINKN-HUUCEWRRSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001333267348 951978983 /nfs/dbraw/zinc/97/89/83/951978983.db2.gz LTYUPERSJIZYMO-HOTGVXAUSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001275180666 951989300 /nfs/dbraw/zinc/98/93/00/951989300.db2.gz YXPPHGKCNOKGDC-UONOGXRCSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)[C@H](CC)C(N)=O)CC1 ZINC001275729037 952410871 /nfs/dbraw/zinc/41/08/71/952410871.db2.gz JKPOVHUIZQRCEX-DZGCQCFKSA-N 2 0 322.453 0.032 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)NCC[NH+]2CCC(O)CC2)CC1 ZINC001334942353 952418580 /nfs/dbraw/zinc/41/85/80/952418580.db2.gz VYEUNYCTEGDYFY-UHFFFAOYSA-N 2 0 310.442 0.393 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@@H]2CCOC)CC1 ZINC001338522126 953026182 /nfs/dbraw/zinc/02/61/82/953026182.db2.gz UCWOMJZADYRLES-HNNXBMFYSA-N 2 0 310.442 0.657 20 30 DCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001343474302 953348304 /nfs/dbraw/zinc/34/83/04/953348304.db2.gz UVAFAOIYIMDVIV-SOUVJXGZSA-N 2 0 308.426 0.455 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1OCC ZINC001316691889 960046608 /nfs/dbraw/zinc/04/66/08/960046608.db2.gz OLFGOHGIFQXSQR-BZUAXINKSA-N 2 0 309.454 0.803 20 30 DCEDRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001394655535 993977011 /nfs/dbraw/zinc/97/70/11/993977011.db2.gz ITYRZCVQJNBCSO-RYUDHWBXSA-N 2 0 322.434 0.138 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001507029732 1015903105 /nfs/dbraw/zinc/90/31/05/1015903105.db2.gz YYJPVDAHPQOAJF-NVXWUHKLSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001507035146 1015908594 /nfs/dbraw/zinc/90/85/94/1015908594.db2.gz FZDBRQUWVCKYGN-GOEBONIOSA-N 2 0 309.454 0.967 20 30 DCEDRP C=CCCC[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001507204030 1016119410 /nfs/dbraw/zinc/11/94/10/1016119410.db2.gz IOIAPBNSDQECCQ-OAHLLOKOSA-N 2 0 309.454 0.895 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001401552597 1000489802 /nfs/dbraw/zinc/48/98/02/1000489802.db2.gz CLCJCXWKHXNHLH-ZDUSSCGKSA-N 2 0 303.834 0.538 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001420209089 1002042974 /nfs/dbraw/zinc/04/29/74/1002042974.db2.gz GZHBJTDBLLMEDG-KBPBESRZSA-N 2 0 317.861 0.926 20 30 DCEDRP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001506850827 1017611212 /nfs/dbraw/zinc/61/12/12/1017611212.db2.gz FWSBTAOKGDTHPZ-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001506872964 1017628907 /nfs/dbraw/zinc/62/89/07/1017628907.db2.gz TUHXUXZREXYXOO-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001497578860 1018244108 /nfs/dbraw/zinc/24/41/08/1018244108.db2.gz KUIJFZSNYXIAGR-DWTRPJMMSA-N 2 0 307.438 0.771 20 30 DCEDRP COCC#CC[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC001495211229 1018396542 /nfs/dbraw/zinc/39/65/42/1018396542.db2.gz VSABABPZEGJGEJ-UHFFFAOYSA-N 2 0 307.438 0.751 20 30 DCEDRP CC#CC[NH2+]C1CCC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001480411971 1018505532 /nfs/dbraw/zinc/50/55/32/1018505532.db2.gz XQMHNWJRYLNRKY-GTPINHCMSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+]C1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001480410812 1018506803 /nfs/dbraw/zinc/50/68/03/1018506803.db2.gz YCVXRPVPRPPHDH-UHFFFAOYSA-N 2 0 319.449 0.749 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001480476265 1018572794 /nfs/dbraw/zinc/57/27/94/1018572794.db2.gz XGTMORCFDYUNPV-OLZOCXBDSA-N 2 0 310.442 0.256 20 30 DCEDRP C=CCC[NH+]1CC[C@@](O)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001500686803 1018580833 /nfs/dbraw/zinc/58/08/33/1018580833.db2.gz LVKZWKUNHDEQOF-NVXWUHKLSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CCC[NH+]1CCC[C@](CO)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001501331560 1019063752 /nfs/dbraw/zinc/06/37/52/1019063752.db2.gz KSUGJRBYXIXISM-WMZOPIPTSA-N 2 0 321.465 0.827 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001496916686 1019759777 /nfs/dbraw/zinc/75/97/77/1019759777.db2.gz QOWSTIHDQVGMIQ-HZPDHXFCSA-N 2 0 319.449 0.607 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001496921685 1019762812 /nfs/dbraw/zinc/76/28/12/1019762812.db2.gz AGOCKMHTXRMXSR-JKSUJKDBSA-N 2 0 309.454 0.851 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCN(C)C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001494107614 1019987524 /nfs/dbraw/zinc/98/75/24/1019987524.db2.gz UVRHDUDSQKHEIQ-MRXNPFEDSA-N 2 0 310.486 0.979 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)CC#CCOC)C1 ZINC001494169344 1020040893 /nfs/dbraw/zinc/04/08/93/1020040893.db2.gz IVJHCTGJCNLRLO-MRXNPFEDSA-N 2 0 309.454 0.758 20 30 DCEDRP CN(C)C(=[NH+]Cc1ccc(N2CC[NH+](C)CC2)nc1)N(C)C ZINC000262304385 238172490 /nfs/dbraw/zinc/17/24/90/238172490.db2.gz OHDMJIANROJBGO-UHFFFAOYSA-N 2 0 304.442 0.813 20 30 DCEDRP CN(C)C(NCc1ccccc1)=[NH+]C[C@H]1C[NH+]2CCN1CC2 ZINC000262781362 238180439 /nfs/dbraw/zinc/18/04/39/238180439.db2.gz LCVRKBCOOUTJQA-INIZCTEOSA-N 2 0 301.438 0.694 20 30 DCEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000262256843 532965543 /nfs/dbraw/zinc/96/55/43/532965543.db2.gz CWFZLCJSCNVQTR-HNNXBMFYSA-N 2 0 308.382 0.497 20 30 DCEDRP Cc1nccn1CCCCNC(=[NH2+])NCCCN1CCOCC1 ZINC000267396510 396355993 /nfs/dbraw/zinc/35/59/93/396355993.db2.gz FAGYQSAFBHMAOP-UHFFFAOYSA-N 3 0 322.457 0.598 20 30 DCEDRP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000491120723 397500188 /nfs/dbraw/zinc/50/01/88/397500188.db2.gz NARYLHXTTJFTIS-HZPDHXFCSA-N 2 0 309.454 0.853 20 30 DCEDRP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C(C)C)[NH+](C)C)c1C#N ZINC000133810113 287013105 /nfs/dbraw/zinc/01/31/05/287013105.db2.gz LORWLNVLFLQFHA-ZDUSSCGKSA-N 2 0 306.414 0.958 20 30 DCEDRP COC[C@H](C)NC(=[NH2+])NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000104163594 415624053 /nfs/dbraw/zinc/62/40/53/415624053.db2.gz ZDNBBDGOJWSNGJ-ZDUSSCGKSA-N 2 0 320.441 0.273 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000343774405 415720979 /nfs/dbraw/zinc/72/09/79/415720979.db2.gz XFNHXADRSJRDIL-DZGCQCFKSA-N 2 0 322.453 0.352 20 30 DCEDRP C[NH+]=C(NCCn1cc(C)cn1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000131892054 415930230 /nfs/dbraw/zinc/93/02/30/415930230.db2.gz OMRAWDNFDCFJTD-OAHLLOKOSA-N 2 0 302.426 0.713 20 30 DCEDRP C[C@H](C(=O)N(C)CCC#N)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174723974 416086765 /nfs/dbraw/zinc/08/67/65/416086765.db2.gz QQNUWILEPBWAES-OAHLLOKOSA-N 2 0 309.458 0.316 20 30 DCEDRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C1 ZINC000329329302 416163854 /nfs/dbraw/zinc/16/38/54/416163854.db2.gz YINCZVPXXCPYQD-ZFWWWQNUSA-N 2 0 310.442 0.861 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419729252 416407050 /nfs/dbraw/zinc/40/70/50/416407050.db2.gz OHDIEKQZFJKQMQ-UHFFFAOYSA-N 2 0 322.453 0.531 20 30 DCEDRP C#CCC[NH+]1CCC(NC(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC000491277089 416593050 /nfs/dbraw/zinc/59/30/50/416593050.db2.gz MLAWNGQTHAMUGR-UHFFFAOYSA-N 2 0 301.434 0.936 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)CC1 ZINC000491040032 416582658 /nfs/dbraw/zinc/58/26/58/416582658.db2.gz RTJJGNYFLUCUAF-DOTOQJQBSA-N 2 0 307.438 0.247 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)CC1 ZINC000491040038 416582767 /nfs/dbraw/zinc/58/27/67/416582767.db2.gz RTJJGNYFLUCUAF-WBVHZDCISA-N 2 0 307.438 0.247 20 30 DCEDRP C#CCNC(=O)CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000491155003 416586545 /nfs/dbraw/zinc/58/65/45/416586545.db2.gz OBSZVPUODSUQHJ-IYBDPMFKSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+](C)CCCNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000491767069 416624800 /nfs/dbraw/zinc/62/48/00/416624800.db2.gz GDAXXUMTBLGEBM-GASCZTMLSA-N 2 0 310.442 0.038 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000636743102 416850140 /nfs/dbraw/zinc/85/01/40/416850140.db2.gz VOYMNVVIMGNXIY-HNNXBMFYSA-N 2 0 310.442 0.393 20 30 DCEDRP C=CC[C@@]1(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)CCC[NH2+]1 ZINC000662746784 417883002 /nfs/dbraw/zinc/88/30/02/417883002.db2.gz ROUMZUQITAIXFC-WBVHZDCISA-N 2 0 307.438 0.865 20 30 DCEDRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C[C@H]1C ZINC000329852072 278289767 /nfs/dbraw/zinc/28/97/67/278289767.db2.gz RFWGXPBOWPMKRR-HZSPNIEDSA-N 2 0 310.442 0.524 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@@H+](C)C[C@@H](C)O)CC1 ZINC001570218498 1159210464 /nfs/dbraw/zinc/21/04/64/1159210464.db2.gz VNHRIOXXGGSJSS-OAHLLOKOSA-N 2 0 309.454 0.493 20 30 DCEDRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+](C)CC1 ZINC000329919442 336095212 /nfs/dbraw/zinc/09/52/12/336095212.db2.gz DGPJTRVGMWQTMC-CQSZACIVSA-N 2 0 311.474 0.610 20 30 DCEDRP C[NH+]=C(NCCc1cccs1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000262787480 526365409 /nfs/dbraw/zinc/36/54/09/526365409.db2.gz MXAOTCLXGVHGQQ-ZDUSSCGKSA-N 2 0 307.467 0.455 20 30 DCEDRP CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262307398 527383183 /nfs/dbraw/zinc/38/31/83/527383183.db2.gz OYHZVRMZOLGRPZ-TZMCWYRMSA-N 2 0 309.458 0.501 20 30 DCEDRP C#CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CC[NH+](CCO)CC1 ZINC001671491997 1175016357 /nfs/dbraw/zinc/01/63/57/1175016357.db2.gz NTRCHJLCXDUQFK-UHFFFAOYSA-N 2 0 323.481 0.883 20 30 DCEDRP C=CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001671604243 1175022333 /nfs/dbraw/zinc/02/23/33/1175022333.db2.gz XWLDMYXQKVTQKD-INIZCTEOSA-N 2 0 308.470 0.733 20 30 DCEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001027890320 660889225 /nfs/dbraw/zinc/88/92/25/660889225.db2.gz WYLWRSCLFYPUTP-HNNXBMFYSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028036824 661093606 /nfs/dbraw/zinc/09/36/06/661093606.db2.gz IAACDTXKKKRTHO-NDUQDZPOSA-N 2 0 317.433 0.454 20 30 DCEDRP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000981540535 661169485 /nfs/dbraw/zinc/16/94/85/661169485.db2.gz DPOATFFRYSSVPZ-IAGOWNOFSA-N 2 0 301.434 0.982 20 30 DCEDRP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC000981784725 661216562 /nfs/dbraw/zinc/21/65/62/661216562.db2.gz PTAOWHVWRYWTHW-JKSUJKDBSA-N 2 0 319.449 0.960 20 30 DCEDRP C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001028192231 661269167 /nfs/dbraw/zinc/26/91/67/661269167.db2.gz GQQIFHBQPFQASL-OAHLLOKOSA-N 2 0 305.426 0.825 20 30 DCEDRP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC000949244450 657490122 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0.861 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(C)CCO2)C(C)(C)C1 ZINC000940648014 665822111 /nfs/dbraw/zinc/82/21/11/665822111.db2.gz VMBBOIMNOXSHSO-CABCVRRESA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](C[C@H](C)O)CC2)CC1 ZINC000989735105 662974906 /nfs/dbraw/zinc/97/49/06/662974906.db2.gz SWORSFHGKAZSTG-HNNXBMFYSA-N 2 0 307.438 0.247 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000911236830 664009198 /nfs/dbraw/zinc/00/91/98/664009198.db2.gz UCYMNJIWEJIXHS-KGLIPLIRSA-N 2 0 322.453 0.387 20 30 DCEDRP C#CCN(C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000918882811 665187759 /nfs/dbraw/zinc/18/77/59/665187759.db2.gz NWFNBOBBRCUNJS-CQSZACIVSA-N 2 0 304.438 0.962 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001691085359 1157575464 /nfs/dbraw/zinc/57/54/64/1157575464.db2.gz DKSWSTJTXGSFIL-CVEARBPZSA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941665525 666040897 /nfs/dbraw/zinc/04/08/97/666040897.db2.gz HXBLHDNAGHUGGN-OAHLLOKOSA-N 2 0 306.454 0.343 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC#C)C[C@H]2C)CC1 ZINC000945184203 666580645 /nfs/dbraw/zinc/58/06/45/666580645.db2.gz VNFOIZLXVAXIOP-NVXWUHKLSA-N 2 0 301.434 0.791 20 30 DCEDRP C[NH+]=C(NCCN1CCC[N@H+](C)CC1)N[C@@H]1CCN(C2CC2)C1 ZINC000083125494 666628631 /nfs/dbraw/zinc/62/86/31/666628631.db2.gz CPIQUOXAFPPVRG-OAHLLOKOSA-N 2 0 322.501 0.026 20 30 DCEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779116 666651329 /nfs/dbraw/zinc/65/13/29/666651329.db2.gz GWIWBQAKACXPAV-NCOADZHNSA-N 2 0 303.450 0.988 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1(C)C ZINC000996069670 666737275 /nfs/dbraw/zinc/73/72/75/666737275.db2.gz KLHMMWUNYRVABR-QRHJNKNDSA-N 2 0 317.433 0.309 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)C2 ZINC000884208350 667499286 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C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCC=C)C[C@@H]2O)CC1 ZINC000958725177 687877767 /nfs/dbraw/zinc/87/77/67/687877767.db2.gz WHMRZNWDAFFPRY-SJORKVTESA-N 2 0 319.449 0.317 20 30 DCEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000960269669 688340047 /nfs/dbraw/zinc/34/00/47/688340047.db2.gz RTYYLBWPBSYPDM-TWMKSMIVSA-N 2 0 319.449 0.862 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001001425312 690544508 /nfs/dbraw/zinc/54/45/08/690544508.db2.gz NQDVGDCZAMZTQG-CVEARBPZSA-N 2 0 305.422 0.311 20 30 DCEDRP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760844 694661294 /nfs/dbraw/zinc/66/12/94/694661294.db2.gz QQJLZDULSNNPCZ-CABCVRRESA-N 2 0 305.422 0.570 20 30 DCEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760949 694661441 /nfs/dbraw/zinc/66/14/41/694661441.db2.gz WGYHBRCYBMZVQM-HZPDHXFCSA-N 2 0 317.433 0.407 20 30 DCEDRP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 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ZINC001565956714 1159928747 /nfs/dbraw/zinc/92/87/47/1159928747.db2.gz ICQCOULTCCSQSV-HZPDHXFCSA-N 2 0 309.454 0.803 20 30 DCEDRP C#CCC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001566033543 1159949614 /nfs/dbraw/zinc/94/96/14/1159949614.db2.gz WSPVKJBEJHIRPE-QGZVFWFLSA-N 2 0 321.465 0.779 20 30 DCEDRP C#CC[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001566059517 1159956254 /nfs/dbraw/zinc/95/62/54/1159956254.db2.gz VETMAOTURKUMAN-MRXNPFEDSA-N 2 0 307.438 0.368 20 30 DCEDRP C=CCN1CC[NH+](CCCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001566641856 1160106959 /nfs/dbraw/zinc/10/69/59/1160106959.db2.gz DWKCTUUOQIIQPO-UHFFFAOYSA-N 2 0 320.481 0.925 20 30 DCEDRP C=C(C)CC[NH+]1CCN(CCNC(=O)Cn2ccnc2C)CC1 ZINC001566654248 1160113484 /nfs/dbraw/zinc/11/34/84/1160113484.db2.gz MPMRJDUIRCISGA-UHFFFAOYSA-N 2 0 319.453 0.892 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001566890461 1160177799 /nfs/dbraw/zinc/17/77/99/1160177799.db2.gz RRFPJILZMWLISF-LSDHHAIUSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CCC[NH2+]C1CCC(NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001566992774 1160201953 /nfs/dbraw/zinc/20/19/53/1160201953.db2.gz YOWSERNDWAIZGH-KLAILNCOSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001567097185 1160240329 /nfs/dbraw/zinc/24/03/29/1160240329.db2.gz RIJNKXXIYMRVCG-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001567154341 1160259379 /nfs/dbraw/zinc/25/93/79/1160259379.db2.gz DXWYUYACLJHSFL-QGZVFWFLSA-N 2 0 321.465 0.950 20 30 DCEDRP C#CCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001567720210 1160463081 /nfs/dbraw/zinc/46/30/81/1160463081.db2.gz NNKDTOLNXRVBFB-KRWDZBQOSA-N 2 0 320.481 0.570 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001567718120 1160463352 /nfs/dbraw/zinc/46/33/52/1160463352.db2.gz VTWBDZSPGNUGKR-MRXNPFEDSA-N 2 0 308.470 0.733 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC#CCOC ZINC001568175835 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SUPQUWDUJOGOCM-HUUCEWRRSA-N 2 0 322.453 0.069 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001666967451 1174651525 /nfs/dbraw/zinc/65/15/25/1174651525.db2.gz ORSFPOCDHCIVNZ-AWEZNQCLSA-N 2 0 324.469 0.600 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001668184786 1174765965 /nfs/dbraw/zinc/76/59/65/1174765965.db2.gz GQQUDIJRYOWQSN-PMPSAXMXSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001671604244 1175021964 /nfs/dbraw/zinc/02/19/64/1175021964.db2.gz XWLDMYXQKVTQKD-MRXNPFEDSA-N 2 0 308.470 0.733 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H](C[NH2+]CC(C)C)C2)CC1 ZINC001673341458 1175193610 /nfs/dbraw/zinc/19/36/10/1175193610.db2.gz CBKQPDLRMIKXRT-KRWDZBQOSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001673802517 1175232013 /nfs/dbraw/zinc/23/20/13/1175232013.db2.gz DYQASEQRDLMDFV-RBSFLKMASA-N 2 0 322.453 0.045 20 30 DCEDRP 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C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001700405792 1178609242 /nfs/dbraw/zinc/60/92/42/1178609242.db2.gz UFIBJLYAXSQNEQ-CABCVRRESA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C2CC[NH+](CC#C)CC2)CCO1 ZINC001700611941 1178680405 /nfs/dbraw/zinc/68/04/05/1178680405.db2.gz SNMGPFDZGGVYEV-DOTOQJQBSA-N 2 0 317.433 0.170 20 30 DCEDRP C=CC[N@H+](C)CCOCCNC(=O)[C@@H]1CCc2cncn2C1 ZINC001700703721 1178713260 /nfs/dbraw/zinc/71/32/60/1178713260.db2.gz BYZVVGUOUCDWDE-CQSZACIVSA-N 2 0 306.410 0.696 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001700722769 1178722690 /nfs/dbraw/zinc/72/26/90/1178722690.db2.gz ZKHKEOLFGUUURK-OIISXLGYSA-N 2 0 321.465 0.803 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001700914065 1178801489 /nfs/dbraw/zinc/80/14/89/1178801489.db2.gz VITPCZDZQDGRKB-GJZGRUSLSA-N 2 0 322.453 0.259 20 30 DCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001700947246 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XDWHCWXNWJBXBT-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@](C)(C[NH2+]C[C@H](C)O)C2CC2)CC1 ZINC001715123705 1181695573 /nfs/dbraw/zinc/69/55/73/1181695573.db2.gz JVIBZHOEHHMYLY-KSSFIOAISA-N 2 0 321.465 0.587 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001715379221 1181795981 /nfs/dbraw/zinc/79/59/81/1181795981.db2.gz SSVGENZSBYUHJE-CABCVRRESA-N 2 0 324.469 0.600 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001715953189 1182116614 /nfs/dbraw/zinc/11/66/14/1182116614.db2.gz KCFSOSUIFXIPPF-HZPDHXFCSA-N 2 0 309.454 0.993 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001716465897 1182401439 /nfs/dbraw/zinc/40/14/39/1182401439.db2.gz ODXKMLHJEMVPOI-GJZGRUSLSA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001716762924 1182517541 /nfs/dbraw/zinc/51/75/41/1182517541.db2.gz DJQORKOFISOCPL-KGLIPLIRSA-N 2 0 310.442 0.209 20 30 DCEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001716926109 1182580836 /nfs/dbraw/zinc/58/08/36/1182580836.db2.gz LEAHIAUGEVITOI-AEFFLSMTSA-N 2 0 321.465 0.826 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(CO)CCC[N@@H+](CCC)C2)CC1 ZINC001717028641 1182634380 /nfs/dbraw/zinc/63/43/80/1182634380.db2.gz XMWNCGBYIHAWMV-GOSISDBHSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](CCCOC)C2)CC1 ZINC001717564623 1182902369 /nfs/dbraw/zinc/90/23/69/1182902369.db2.gz JVVNGYPYRNQKLW-OAHLLOKOSA-N 2 0 321.465 0.805 20 30 DCEDRP CC#CC[NH2+][C@H](CO)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001717769101 1182988555 /nfs/dbraw/zinc/98/85/55/1182988555.db2.gz KBATVBJOQFCMRU-ZDUSSCGKSA-N 2 0 300.362 0.346 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001723680961 1184335449 /nfs/dbraw/zinc/33/54/49/1184335449.db2.gz UCRMYOYAPQZVFR-GOSISDBHSA-N 2 0 321.465 0.902 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC001723878306 1184357592 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DCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001725020912 1184658528 /nfs/dbraw/zinc/65/85/28/1184658528.db2.gz DUHFOHNWQDMZKY-UHFFFAOYSA-N 2 0 321.465 0.829 20 30 DCEDRP C=CCC[NH+]1CCC(CO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001725020654 1184659133 /nfs/dbraw/zinc/65/91/33/1184659133.db2.gz DHJKPRDMNRDHGK-HNNXBMFYSA-N 2 0 309.454 0.847 20 30 DCEDRP C=CCOCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001725246239 1184734783 /nfs/dbraw/zinc/73/47/83/1184734783.db2.gz GQMVSUBRRSNPDH-PBHICJAKSA-N 2 0 321.465 0.967 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](CCOCC)C2)CC1 ZINC001725263900 1184744147 /nfs/dbraw/zinc/74/41/47/1184744147.db2.gz FMAKTBYJKCDVBC-OAHLLOKOSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001725490434 1184843870 /nfs/dbraw/zinc/84/38/70/1184843870.db2.gz OBMPZJUOVFTIGQ-GOEBONIOSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCCO)C(C)(C)C2)CC1 ZINC001725684630 1184939695 /nfs/dbraw/zinc/93/96/95/1184939695.db2.gz ROJFCCWCZBVRQT-INIZCTEOSA-N 2 0 321.465 0.541 20 30 DCEDRP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001725723291 1184975350 /nfs/dbraw/zinc/97/53/50/1184975350.db2.gz JTPJCAWQFLUZEI-INIZCTEOSA-N 2 0 309.454 0.637 20 30 DCEDRP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001725726423 1184976638 /nfs/dbraw/zinc/97/66/38/1184976638.db2.gz ZXCNAQQJFFWXAP-SJORKVTESA-N 2 0 323.481 0.881 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC#CCOC)C1 ZINC001731445740 1185336628 /nfs/dbraw/zinc/33/66/28/1185336628.db2.gz BBJOBSGECYEXGD-JYJNAYRXSA-N 2 0 307.438 0.747 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001731952324 1185602266 /nfs/dbraw/zinc/60/22/66/1185602266.db2.gz MWPOPRPLSJTREN-KBPBESRZSA-N 2 0 310.442 0.067 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001732419355 1185808762 /nfs/dbraw/zinc/80/87/62/1185808762.db2.gz LRJLSOVWFUUKSI-HUUCEWRRSA-N 2 0 324.469 0.598 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001732421220 1185810097 /nfs/dbraw/zinc/81/00/97/1185810097.db2.gz NTIVIGVBZXWJOM-SOUVJXGZSA-N 2 0 324.469 0.455 20 30 DCEDRP C=CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001733493268 1186301914 /nfs/dbraw/zinc/30/19/14/1186301914.db2.gz RCACRFOUYFINBR-DOTOQJQBSA-N 2 0 309.454 0.990 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001733884606 1186486112 /nfs/dbraw/zinc/48/61/12/1186486112.db2.gz ZZXGBQNYRYBZSG-MRXNPFEDSA-N 2 0 319.449 0.295 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001733888480 1186487544 /nfs/dbraw/zinc/48/75/44/1186487544.db2.gz GQNSDTMRTHGPJX-INIZCTEOSA-N 2 0 321.465 0.827 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001733900075 1186493248 /nfs/dbraw/zinc/49/32/48/1186493248.db2.gz JPVWBNDQCGISAD-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001733919205 1186497429 /nfs/dbraw/zinc/49/74/29/1186497429.db2.gz WIHCZSSXVOOVKS-UHFFFAOYSA-N 2 0 305.422 0.049 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H]([NH2+]C[C@@H](C)O)C(C)C)CC1 ZINC001734290710 1186607263 /nfs/dbraw/zinc/60/72/63/1186607263.db2.gz OFWZUBQTOMUFPA-NVXWUHKLSA-N 2 0 323.481 0.833 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001734329080 1186615482 /nfs/dbraw/zinc/61/54/82/1186615482.db2.gz VENGJNAHGOXXSG-ZDUSSCGKSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001734520827 1186674425 /nfs/dbraw/zinc/67/44/25/1186674425.db2.gz DIMVSDBATKACJI-OAHLLOKOSA-N 2 0 309.454 0.682 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001734536418 1186681701 /nfs/dbraw/zinc/68/17/01/1186681701.db2.gz IEINORDJXDHJLN-JKSUJKDBSA-N 2 0 309.454 0.539 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001734555996 1186690805 /nfs/dbraw/zinc/69/08/05/1186690805.db2.gz MJRUBUFNBMZFBX-UONOGXRCSA-N 2 0 324.469 0.503 20 30 DCEDRP CC#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001734612799 1186703974 /nfs/dbraw/zinc/70/39/74/1186703974.db2.gz XBPJINTWPCLMFG-MRXNPFEDSA-N 2 0 307.438 0.416 20 30 DCEDRP CC#CC[N@H+](CC)CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001752223843 1188404998 /nfs/dbraw/zinc/40/49/98/1188404998.db2.gz YDSRLHHWEWVZTL-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001752470438 1188424363 /nfs/dbraw/zinc/42/43/63/1188424363.db2.gz DVLZUEPDLYEHIK-INIZCTEOSA-N 2 0 319.449 0.749 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001752943916 1188465836 /nfs/dbraw/zinc/46/58/36/1188465836.db2.gz QLQKGSDOENFQJT-OAHLLOKOSA-N 2 0 307.438 0.416 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCN(C)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001753347262 1188571208 /nfs/dbraw/zinc/57/12/08/1188571208.db2.gz WYCDGOCFBJINBP-UHFFFAOYSA-N 2 0 310.486 0.979 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001754379288 1188838247 /nfs/dbraw/zinc/83/82/47/1188838247.db2.gz PHIIDZAMTWIGAB-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001754666145 1188898851 /nfs/dbraw/zinc/89/88/51/1188898851.db2.gz WYVODESTNZRLHJ-QGZVFWFLSA-N 2 0 320.481 0.568 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001755002003 1188992048 /nfs/dbraw/zinc/99/20/48/1188992048.db2.gz JFJIUGVULVLXTL-HOTGVXAUSA-N 2 0 305.422 0.169 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001755252554 1189065144 /nfs/dbraw/zinc/06/51/44/1189065144.db2.gz JHEBJNLTEADTQC-QWHCGFSZSA-N 2 0 310.442 0.113 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+][C@@H](C)C(N)=O ZINC001755282329 1189069081 /nfs/dbraw/zinc/06/90/81/1189069081.db2.gz NTTDUOXVWIZOSW-KBPBESRZSA-N 2 0 322.453 0.032 20 30 DCEDRP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001755804018 1189224926 /nfs/dbraw/zinc/22/49/26/1189224926.db2.gz HBLOVTDHZQYPSE-JYJNAYRXSA-N 2 0 309.454 0.491 20 30 DCEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001755850077 1189234792 /nfs/dbraw/zinc/23/47/92/1189234792.db2.gz DPWYKDXDCHDLBG-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001098561268 747340479 /nfs/dbraw/zinc/34/04/79/747340479.db2.gz YZJYNLCYSMLUIH-OAHLLOKOSA-N 2 0 307.438 0.247 20 30 DCEDRP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939687 747646609 /nfs/dbraw/zinc/64/66/09/747646609.db2.gz NHSKYURDWAWUDY-RDJZCZTQSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2 ZINC001112523199 748145147 /nfs/dbraw/zinc/14/51/47/748145147.db2.gz HMQFXESJYBCRFN-WMZOPIPTSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)CC[N@@H+](C)CC)C2)nn1 ZINC001105358282 748433931 /nfs/dbraw/zinc/43/39/31/748433931.db2.gz VNAIYVKCSTZEGQ-UHFFFAOYSA-N 2 0 318.425 0.116 20 30 DCEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665246 749013561 /nfs/dbraw/zinc/01/35/61/749013561.db2.gz FKYINCPQNLNTOD-SYGRHNPNSA-N 2 0 317.433 0.452 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCOC)[C@@H]2CC)CC1 ZINC001087839210 749078357 /nfs/dbraw/zinc/07/83/57/749078357.db2.gz PTUSZHXMBOKZTB-DLBZAZTESA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001098722305 749275118 /nfs/dbraw/zinc/27/51/18/749275118.db2.gz MVGZQLJIOAKKAR-OAHLLOKOSA-N 2 0 320.441 0.669 20 30 DCEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001112867881 761983663 /nfs/dbraw/zinc/98/36/63/761983663.db2.gz CKKFLLXQOXTOKU-CVEARBPZSA-N 2 0 307.438 0.960 20 30 DCEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083563334 750199574 /nfs/dbraw/zinc/19/95/74/750199574.db2.gz KKUCLUSINJKLJR-CVEARBPZSA-N 2 0 321.465 0.990 20 30 DCEDRP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001077132337 750218309 /nfs/dbraw/zinc/21/83/09/750218309.db2.gz UDQXBLVOFDVMLN-BZUAXINKSA-N 2 0 307.438 0.434 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001099223429 751135759 /nfs/dbraw/zinc/13/57/59/751135759.db2.gz QGMNLMOHSMFPPW-IJLUTSLNSA-N 2 0 303.328 0.693 20 30 DCEDRP C#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC2(CCOCC2)C1 ZINC001099589437 752519953 /nfs/dbraw/zinc/51/99/53/752519953.db2.gz YNGRJXPBAFMPIR-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001045444257 753196465 /nfs/dbraw/zinc/19/64/65/753196465.db2.gz FVPOGSGAIWDWQT-JKSUJKDBSA-N 2 0 319.449 0.844 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001046038312 753441910 /nfs/dbraw/zinc/44/19/10/753441910.db2.gz KEQVIEOQIREKHB-HZPDHXFCSA-N 2 0 308.470 0.731 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001046060928 753454987 /nfs/dbraw/zinc/45/49/87/753454987.db2.gz HZMYMZPIQMNSDY-IAGOWNOFSA-N 2 0 320.481 0.424 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046082641 753472462 /nfs/dbraw/zinc/47/24/62/753472462.db2.gz UXPAEWZIZAXPPL-KRWDZBQOSA-N 2 0 318.465 0.324 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001128551660 754086576 /nfs/dbraw/zinc/08/65/76/754086576.db2.gz DMAOXBWXTRZISO-STQMWFEESA-N 2 0 316.421 0.063 20 30 DCEDRP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001047409029 754256667 /nfs/dbraw/zinc/25/66/67/754256667.db2.gz LLSMFDCVYMDRSH-JYJNAYRXSA-N 2 0 309.454 0.939 20 30 DCEDRP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001047527340 754359971 /nfs/dbraw/zinc/35/99/71/754359971.db2.gz CSCNPNRXBKELRE-PMPSAXMXSA-N 2 0 309.454 0.798 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001090261820 754831029 /nfs/dbraw/zinc/83/10/29/754831029.db2.gz PGSPVWDKIVJHRJ-CVEARBPZSA-N 2 0 321.465 0.826 20 30 DCEDRP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833284 754967695 /nfs/dbraw/zinc/96/76/95/754967695.db2.gz MSUYTVGSGVCSIZ-VVLHAWIVSA-N 2 0 319.449 0.816 20 30 DCEDRP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CN(C)CCO1 ZINC001049391473 755247390 /nfs/dbraw/zinc/24/73/90/755247390.db2.gz LSTWLAKMLLXAMA-ARFHVFGLSA-N 2 0 307.438 0.958 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCO)CC1 ZINC001049921504 755447860 /nfs/dbraw/zinc/44/78/60/755447860.db2.gz WSMTXAJMSZIFJO-DLBZAZTESA-N 2 0 319.449 0.389 20 30 DCEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC001090356321 755667728 /nfs/dbraw/zinc/66/77/28/755667728.db2.gz VVOYMNYXKPVCGI-LSDHHAIUSA-N 2 0 307.438 0.600 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001081884593 756837328 /nfs/dbraw/zinc/83/73/28/756837328.db2.gz FLHRGWIVVMGYMD-BRWVUGGUSA-N 2 0 321.465 0.946 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653656 757214960 /nfs/dbraw/zinc/21/49/60/757214960.db2.gz WQAXUZOSGZQLHV-QVCPJDEESA-N 2 0 305.422 0.472 20 30 DCEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653273 757215265 /nfs/dbraw/zinc/21/52/65/757215265.db2.gz CRXXRRVCPZXJJB-MYPHYYIGSA-N 2 0 319.449 0.862 20 30 DCEDRP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@H]2C1 ZINC001083087485 757486083 /nfs/dbraw/zinc/48/60/83/757486083.db2.gz MDEFJZCNPALJRB-VVLHAWIVSA-N 2 0 319.449 0.652 20 30 DCEDRP CC#CCN1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001083937045 757556715 /nfs/dbraw/zinc/55/67/15/757556715.db2.gz JXXVNFIUHVKEHZ-SJORKVTESA-N 2 0 319.449 0.293 20 30 DCEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CN(C)CCO3)C2)CC1 ZINC001050472390 757741897 /nfs/dbraw/zinc/74/18/97/757741897.db2.gz ONJBEZLXOXXBMC-OAHLLOKOSA-N 2 0 307.438 0.818 20 30 DCEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001090398756 757907246 /nfs/dbraw/zinc/90/72/46/757907246.db2.gz IFYQVWHILMQAIW-CABCVRRESA-N 2 0 300.362 0.685 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC)CC1 ZINC001098460649 762677116 /nfs/dbraw/zinc/67/71/16/762677116.db2.gz HZCYVPJLEFXWMW-ZACQAIPSSA-N 2 0 319.449 0.700 20 30 DCEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085732055 759246698 /nfs/dbraw/zinc/24/66/98/759246698.db2.gz QGHVZEVAYTYTPP-BNQMIIOLSA-N 2 0 319.449 0.958 20 30 DCEDRP C[NH+](C)CCOCC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001147842324 767859499 /nfs/dbraw/zinc/85/94/99/767859499.db2.gz RTBUYSPKFDEYMR-UHFFFAOYSA-N 2 0 310.423 0.404 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2C[C@@H](C)O)CC1 ZINC001085987026 759547179 /nfs/dbraw/zinc/54/71/79/759547179.db2.gz RPUOSKSXTVIYEI-ZBFHGGJFSA-N 2 0 307.438 0.245 20 30 DCEDRP C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001098399223 759574073 /nfs/dbraw/zinc/57/40/73/759574073.db2.gz DOAYRKBWMIXLAB-KRWDZBQOSA-N 2 0 323.481 0.881 20 30 DCEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001086151227 759768126 /nfs/dbraw/zinc/76/81/26/759768126.db2.gz RXLOYOHLIOZGJA-XTCFQUFBSA-N 2 0 319.449 0.910 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)CC[N@@H+](C)CCC ZINC001148578509 768020148 /nfs/dbraw/zinc/02/01/48/768020148.db2.gz VPBFRNHKACYZCZ-UHFFFAOYSA-N 2 0 324.469 0.625 20 30 DCEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129994437 763073845 /nfs/dbraw/zinc/07/38/45/763073845.db2.gz OFGXRWXFEMUSIC-KGLIPLIRSA-N 2 0 306.414 0.147 20 30 DCEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099972466 763177727 /nfs/dbraw/zinc/17/77/27/763177727.db2.gz WYLXALVJOYOZGO-LSDHHAIUSA-N 2 0 309.454 0.846 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001130615605 763401450 /nfs/dbraw/zinc/40/14/50/763401450.db2.gz OGCFCSSMOQWWFY-UHFFFAOYSA-N 2 0 324.469 0.647 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130654368 763416382 /nfs/dbraw/zinc/41/63/82/763416382.db2.gz HVUHNNYYAXGKDO-GOEBONIOSA-N 2 0 319.453 0.832 20 30 DCEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001100522900 763632017 /nfs/dbraw/zinc/63/20/17/763632017.db2.gz MJLBBBIGQSOWOG-KUNBBXKYSA-N 2 0 319.449 0.910 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1c1cncn1C ZINC001131089783 763639256 /nfs/dbraw/zinc/63/92/56/763639256.db2.gz ZQIDADNMZVBJQT-HUUCEWRRSA-N 2 0 319.453 0.832 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)C[NH+](CC)CC)C1 ZINC001100771130 763775964 /nfs/dbraw/zinc/77/59/64/763775964.db2.gz ZLJVDHSMBZOPMU-WLYUNCDWSA-N 2 0 324.469 0.503 20 30 DCEDRP C=CCOCC[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100870693 763833234 /nfs/dbraw/zinc/83/32/34/763833234.db2.gz LPWMHLPGAOVDDJ-UHFFFAOYSA-N 2 0 313.442 0.252 20 30 DCEDRP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)c1nccn12 ZINC001101641734 764216465 /nfs/dbraw/zinc/21/64/65/764216465.db2.gz YSIPHZVLPYXPMC-CQSZACIVSA-N 2 0 317.437 0.983 20 30 DCEDRP C=CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001098479285 764524302 /nfs/dbraw/zinc/52/43/02/764524302.db2.gz ZPCBKEZHKYWBQW-GDBMZVCRSA-N 2 0 309.454 0.655 20 30 DCEDRP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102473983 764655294 /nfs/dbraw/zinc/65/52/94/764655294.db2.gz ZJFORDKBQFPMFB-HUUCEWRRSA-N 2 0 324.469 0.315 20 30 DCEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001086698490 764793936 /nfs/dbraw/zinc/79/39/36/764793936.db2.gz IATWVZKHCXCNTD-LSDHHAIUSA-N 2 0 317.437 0.566 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133867936 765194096 /nfs/dbraw/zinc/19/40/96/765194096.db2.gz YMBYYRMQQUBAOF-GJZGRUSLSA-N 2 0 322.453 0.091 20 30 DCEDRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001133869731 765196565 /nfs/dbraw/zinc/19/65/65/765196565.db2.gz KERLUGCEZNAYTA-XJKSGUPXSA-N 2 0 300.406 0.962 20 30 DCEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001134392139 765511798 /nfs/dbraw/zinc/51/17/98/765511798.db2.gz NJHZDFZMBUOUIB-LSDHHAIUSA-N 2 0 319.453 0.955 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134768871 765662643 /nfs/dbraw/zinc/66/26/43/765662643.db2.gz GWSMTOWJHBRKEW-HUUCEWRRSA-N 2 0 324.469 0.646 20 30 DCEDRP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124866661 768317649 /nfs/dbraw/zinc/31/76/49/768317649.db2.gz IINHFYDCAZPXHS-LSDHHAIUSA-N 2 0 324.469 0.600 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001090673620 766457605 /nfs/dbraw/zinc/45/76/05/766457605.db2.gz LQJMFNGSQPMONF-HOTGVXAUSA-N 2 0 309.454 0.846 20 30 DCEDRP CC#CC[NH2+]C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001203079496 768555472 /nfs/dbraw/zinc/55/54/72/768555472.db2.gz RDSWXRQOXORSIP-UHFFFAOYSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[N@@H+](C)CCC ZINC001171732297 769360168 /nfs/dbraw/zinc/36/01/68/769360168.db2.gz ZKGOLIIFNJNKGL-CQSZACIVSA-N 2 0 312.458 0.505 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2ncccc2C)CC1 ZINC001152334882 769531133 /nfs/dbraw/zinc/53/11/33/769531133.db2.gz UFPCLMIRYREBAJ-UHFFFAOYSA-N 2 0 314.433 0.941 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152472008 769571344 /nfs/dbraw/zinc/57/13/44/769571344.db2.gz PRHGHYZWCXERAC-CABCVRRESA-N 2 0 324.469 0.503 20 30 DCEDRP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153828958 769952108 /nfs/dbraw/zinc/95/21/08/769952108.db2.gz VIGZHXRSITUBRM-OAHLLOKOSA-N 2 0 309.454 0.947 20 30 DCEDRP N#Cc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1Cl ZINC001235871776 769956239 /nfs/dbraw/zinc/95/62/39/769956239.db2.gz YUGQEXVDQVRKGF-UHFFFAOYSA-N 2 0 321.856 0.796 20 30 DCEDRP Cc1cc(C#N)ccc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236311212 769993237 /nfs/dbraw/zinc/99/32/37/769993237.db2.gz FXSIZWCYZYHCAZ-UHFFFAOYSA-N 2 0 317.437 0.483 20 30 DCEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176601659 770143749 /nfs/dbraw/zinc/14/37/49/770143749.db2.gz WVDHXJBCYHPROC-HOTGVXAUSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2ccon2)CC1 ZINC001176926378 770225133 /nfs/dbraw/zinc/22/51/33/770225133.db2.gz KGYQNUNQSYYXDI-UHFFFAOYSA-N 2 0 304.394 0.616 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C[C@@H]2CC[C@H](C)O2)CC1 ZINC001176926864 770227650 /nfs/dbraw/zinc/22/76/50/770227650.db2.gz YEDFZRJEVPSCQF-RDJZCZTQSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001185072361 771863106 /nfs/dbraw/zinc/86/31/06/771863106.db2.gz GKGKONHUYUEGOB-GJZGRUSLSA-N 2 0 324.469 0.315 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001185084509 771865598 /nfs/dbraw/zinc/86/55/98/771865598.db2.gz KMQKDOZSTXUCFP-HZPDHXFCSA-N 2 0 309.454 0.662 20 30 DCEDRP C=CCCc1ccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c(=O)[nH]1 ZINC001185362513 771905224 /nfs/dbraw/zinc/90/52/24/771905224.db2.gz FFSAWFCJXYFJOY-UHFFFAOYSA-N 2 0 305.382 0.980 20 30 DCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160973461 772144709 /nfs/dbraw/zinc/14/47/09/772144709.db2.gz VKSAFAYPBOUDBC-STQMWFEESA-N 2 0 308.332 0.623 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187231310 772149774 /nfs/dbraw/zinc/14/97/74/772149774.db2.gz IWRPLFJVVLXMDA-HUUCEWRRSA-N 2 0 324.469 0.600 20 30 DCEDRP N#Cc1ccc(O[C@H]2CCCN(C(=O)[C@H]([NH3+])CCC[NH3+])C2)cc1 ZINC001161325236 772205652 /nfs/dbraw/zinc/20/56/52/772205652.db2.gz YTKAGOHNHUYNDI-JKSUJKDBSA-N 2 0 316.405 0.994 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)C[NH+](CC)CC)(COC)CC1 ZINC001162539017 772388174 /nfs/dbraw/zinc/38/81/74/772388174.db2.gz AXUTYQYIAFEVQO-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CC[N@H+]1C[C@@H]2CCN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001189181529 772432762 /nfs/dbraw/zinc/43/27/62/772432762.db2.gz ALYLKHCUSRXEMJ-YESZJQIVSA-N 2 0 319.449 0.653 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165794239 772763462 /nfs/dbraw/zinc/76/34/62/772763462.db2.gz ODPFBNNLVUDFOL-UHFFFAOYSA-N 2 0 312.458 0.459 20 30 DCEDRP C#CC[NH2+]CC1(CCNC(=O)[C@H]2COCCN2CCCC)CC1 ZINC001166391722 772806895 /nfs/dbraw/zinc/80/68/95/772806895.db2.gz YZOZPEVUSVMTCL-MRXNPFEDSA-N 2 0 321.465 0.997 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1=O ZINC001166677124 772838249 /nfs/dbraw/zinc/83/82/49/772838249.db2.gz FVXYCLKVEVXFLX-HUUCEWRRSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166987806 772897275 /nfs/dbraw/zinc/89/72/75/772897275.db2.gz VUVSMQRVHHFKOW-AWEZNQCLSA-N 2 0 324.469 0.505 20 30 DCEDRP C#CC[NH2+]CC1CCN(C(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC001206949315 773145728 /nfs/dbraw/zinc/14/57/28/773145728.db2.gz YTALFLSIOZUTIV-UHFFFAOYSA-N 2 0 301.434 0.793 20 30 DCEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001208640020 773509933 /nfs/dbraw/zinc/50/99/33/773509933.db2.gz XLLVPNMBZWLEJF-LPMVOBIJSA-N 2 0 317.433 0.454 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210812401 773741348 /nfs/dbraw/zinc/74/13/48/773741348.db2.gz ZHIGZKDFGIIPER-LSDHHAIUSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CCNC(=O)[C@H](C)N1CCCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001197691630 773784408 /nfs/dbraw/zinc/78/44/08/773784408.db2.gz LMTFQRBQGWJJRP-HNNXBMFYSA-N 2 0 322.453 0.000 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CC#CC)C2)CC1 ZINC001211233502 773784498 /nfs/dbraw/zinc/78/44/98/773784498.db2.gz GXDDEGHZPCBAOM-KRWDZBQOSA-N 2 0 301.434 0.936 20 30 DCEDRP C=CCNC(=O)[C@H](C)N1CCCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001197691643 773784585 /nfs/dbraw/zinc/78/45/85/773784585.db2.gz LUKUGSMLHUAZDR-HNNXBMFYSA-N 2 0 324.469 0.553 20 30 DCEDRP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CCCC2)C1 ZINC001198671001 773963777 /nfs/dbraw/zinc/96/37/77/773963777.db2.gz AKICUMKAPJSIHN-HZPDHXFCSA-N 2 0 309.454 0.990 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729401 773967513 /nfs/dbraw/zinc/96/75/13/773967513.db2.gz NOMBJSWHNPAGPZ-HZPDHXFCSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001214664307 774005960 /nfs/dbraw/zinc/00/59/60/774005960.db2.gz VYFMJCILJIYFFZ-KLHDSHLOSA-N 2 0 307.438 0.413 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847898 774018645 /nfs/dbraw/zinc/01/86/45/774018645.db2.gz XKXTYCHARVBIRG-HUUCEWRRSA-N 2 0 307.438 0.557 20 30 DCEDRP CO[C@@H]1CC[NH2+][C@@H](C(=O)Nc2sc3c(c2C#N)CC[NH2+]C3)C1 ZINC001218552454 774245607 /nfs/dbraw/zinc/24/56/07/774245607.db2.gz IZAVZCKNKCJNBR-BXKDBHETSA-N 2 0 320.418 0.971 20 30 DCEDRP N#Cc1c(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)sc2c1CC[NH2+]C2 ZINC001218552855 774246238 /nfs/dbraw/zinc/24/62/38/774246238.db2.gz LARQHHHCEPVLGZ-ZDUSSCGKSA-N 3 0 319.434 0.531 20 30 DCEDRP N#Cc1cccc2[nH]nc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c21 ZINC001218656843 774274621 /nfs/dbraw/zinc/27/46/21/774274621.db2.gz PYDFQBZYKPESTI-VIFPVBQESA-N 2 0 304.379 0.392 20 30 DCEDRP COCC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001200606610 774386543 /nfs/dbraw/zinc/38/65/43/774386543.db2.gz RREAUPYKBXFCSC-QGZVFWFLSA-N 2 0 319.449 0.559 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001201037532 774443866 /nfs/dbraw/zinc/44/38/66/774443866.db2.gz LENIGRUADARNIL-UHFFFAOYSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001201309890 774485856 /nfs/dbraw/zinc/48/58/56/774485856.db2.gz UKCJMYXXVPBUGS-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001201320862 774487302 /nfs/dbraw/zinc/48/73/02/774487302.db2.gz AFZMCYGOJWPZAW-UHFFFAOYSA-N 2 0 322.453 0.047 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCCO1 ZINC001201343388 774496498 /nfs/dbraw/zinc/49/64/98/774496498.db2.gz FCHKUEVPROMJRC-JKSUJKDBSA-N 2 0 309.454 0.803 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001201864021 774560501 /nfs/dbraw/zinc/56/05/01/774560501.db2.gz RXDDUWBOHAOPFN-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCCO1 ZINC001202140655 774606258 /nfs/dbraw/zinc/60/62/58/774606258.db2.gz DDRLCVBPUPECTD-INIZCTEOSA-N 2 0 307.438 0.703 20 30 DCEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)cc1 ZINC001219831691 774623440 /nfs/dbraw/zinc/62/34/40/774623440.db2.gz UNTFYGMBDNTRLH-FPCVCCKLSA-N 2 0 314.389 0.441 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114408937 774844979 /nfs/dbraw/zinc/84/49/79/774844979.db2.gz CZSZSDKRNFBSMU-JJXSEGSLSA-N 2 0 305.422 0.023 20 30 DCEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073235 774989877 /nfs/dbraw/zinc/98/98/77/774989877.db2.gz LYRQSEISTOYASA-CVEARBPZSA-N 2 0 309.454 0.990 20 30 DCEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221114303 774999495 /nfs/dbraw/zinc/99/94/95/774999495.db2.gz UXGFLVBMIPPHDS-CXAGYDPISA-N 2 0 300.406 0.722 20 30 DCEDRP C#CC[C@]1(C(=O)NC2(c3cccnc3)CC[NH2+]CC2)CCC[NH2+]1 ZINC001221124047 775000229 /nfs/dbraw/zinc/00/02/29/775000229.db2.gz TXEJUBQCPDNPIG-GOSISDBHSA-N 2 0 312.417 0.922 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC(CNC(=O)C[N@@H+](C)CCC)CC1 ZINC001225228558 775656431 /nfs/dbraw/zinc/65/64/31/775656431.db2.gz QKZMXONLRPLHPA-UHFFFAOYSA-N 2 0 324.469 0.459 20 30 DCEDRP C=CCOCC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001225426590 775675661 /nfs/dbraw/zinc/67/56/61/775675661.db2.gz DBPOHCHREZFFJP-INIZCTEOSA-N 2 0 309.454 0.969 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001226801139 775878283 /nfs/dbraw/zinc/87/82/83/775878283.db2.gz SXGQPXQFJKMADL-ZACQAIPSSA-N 2 0 321.465 0.993 20 30 DCEDRP COCC#CC[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001227408703 775971652 /nfs/dbraw/zinc/97/16/52/775971652.db2.gz SIQDPDWEWDKTKN-KRWDZBQOSA-N 2 0 319.449 0.559 20 30 DCEDRP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001114733328 776081266 /nfs/dbraw/zinc/08/12/66/776081266.db2.gz ZPQHPMACISGJMY-SMLCLMEVSA-N 2 0 321.465 0.966 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228904851 776137393 /nfs/dbraw/zinc/13/73/93/776137393.db2.gz WNIBEAMPOXFQLX-CQSZACIVSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001230105309 776252312 /nfs/dbraw/zinc/25/23/12/776252312.db2.gz HRWLULMZSVHNDP-AWEZNQCLSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@@H+](CCO)C3)C2)CC1 ZINC001041845072 777537933 /nfs/dbraw/zinc/53/79/33/777537933.db2.gz SGHDEDFTODOXLR-SFHVURJKSA-N 2 0 319.449 0.248 20 30 DCEDRP CC[N@@H+](CC#CCOC)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001266397234 939105056 /nfs/dbraw/zinc/10/50/56/939105056.db2.gz UUWFIJZZMGJWPL-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001266531145 939153803 /nfs/dbraw/zinc/15/38/03/939153803.db2.gz UNUGRFDFZIUSDJ-GJZGRUSLSA-N 2 0 322.453 0.354 20 30 DCEDRP CC#CC[NH2+]C1CCN(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001279431273 939160028 /nfs/dbraw/zinc/16/00/28/939160028.db2.gz JBBRJDKNCBNRIU-UHFFFAOYSA-N 2 0 320.481 0.664 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267303608 939420105 /nfs/dbraw/zinc/42/01/05/939420105.db2.gz PQPKOGUTIIMQEW-HZPDHXFCSA-N 2 0 307.438 0.416 20 30 DCEDRP CCC[N@@H+](CC#CCOC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001267316252 939423157 /nfs/dbraw/zinc/42/31/57/939423157.db2.gz KCYYBEUYQKFIAD-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001481109761 939564039 /nfs/dbraw/zinc/56/40/39/939564039.db2.gz ULHXJSKEHGKQNO-CQSZACIVSA-N 2 0 322.453 0.069 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001267991916 939724127 /nfs/dbraw/zinc/72/41/27/939724127.db2.gz CCCGUGNXFTYWST-OAHLLOKOSA-N 2 0 307.438 0.607 20 30 DCEDRP CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001278405486 945284099 /nfs/dbraw/zinc/28/40/99/945284099.db2.gz WSAMTZGUCYNKRE-GDBMZVCRSA-N 2 0 317.437 0.661 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCc1c[nH]cn1 ZINC001268283118 940017987 /nfs/dbraw/zinc/01/79/87/940017987.db2.gz YHIDOBXCLISHKJ-HOCLYGCPSA-N 2 0 318.421 0.867 20 30 DCEDRP C=CCOCC[NH+]1CC(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001268892307 940397255 /nfs/dbraw/zinc/39/72/55/940397255.db2.gz SKSFVXDDGLZKKI-UHFFFAOYSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CCC[NH2+]C[C@H](NC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001269128877 940626426 /nfs/dbraw/zinc/62/64/26/940626426.db2.gz BYMMBBPHHXTFEC-INIZCTEOSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCOCC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001269415596 940702040 /nfs/dbraw/zinc/70/20/40/940702040.db2.gz GACNKYCMHMFAMH-OAHLLOKOSA-N 2 0 307.438 0.769 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001270650339 940953275 /nfs/dbraw/zinc/95/32/75/940953275.db2.gz SPRJNTVDYCPIEF-QGZVFWFLSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001271229812 941329881 /nfs/dbraw/zinc/32/98/81/941329881.db2.gz XHFAJURFRZLXKM-FUHWJXTLSA-N 2 0 321.465 0.683 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001271752561 941443592 /nfs/dbraw/zinc/44/35/92/941443592.db2.gz RWZWQRCHCSWYPG-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001271874500 941471006 /nfs/dbraw/zinc/47/10/06/941471006.db2.gz ZNQWWNJMUHXGIP-GASCZTMLSA-N 2 0 322.453 0.021 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CC#CCOC)CC[N@@H+]1C ZINC001482596645 941566546 /nfs/dbraw/zinc/56/65/46/941566546.db2.gz ASZFQYBURYHCIB-JKSUJKDBSA-N 2 0 309.454 0.757 20 30 DCEDRP C=CCCC[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001482741851 941652335 /nfs/dbraw/zinc/65/23/35/941652335.db2.gz MYQQYPXCCASUJO-HNNXBMFYSA-N 2 0 309.454 0.895 20 30 DCEDRP CCN(CC[NH2+]CC#CCOC)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482929826 941715161 /nfs/dbraw/zinc/71/51/61/941715161.db2.gz LMEBNIJOCSRZHD-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@@H](O)C1 ZINC001083594368 942028322 /nfs/dbraw/zinc/02/83/22/942028322.db2.gz YBMYNWNVASRFCM-OAGGEKHMSA-N 2 0 309.454 0.844 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001483600194 942452020 /nfs/dbraw/zinc/45/20/20/942452020.db2.gz GBKJBSKRAKVBGY-CVEARBPZSA-N 2 0 309.454 0.707 20 30 DCEDRP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001272565812 942828223 /nfs/dbraw/zinc/82/82/23/942828223.db2.gz OZUDRIZOPKIGNR-SJORKVTESA-N 2 0 321.465 0.806 20 30 DCEDRP C=C(C)C[NH+]1CC[C@@](O)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001484223993 943219198 /nfs/dbraw/zinc/21/91/98/943219198.db2.gz PXSOIPXZPSPRNZ-NVXWUHKLSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)CCc2nccn2C)CCC1 ZINC001484644826 943490292 /nfs/dbraw/zinc/49/02/92/943490292.db2.gz SIWPGCKZKCIKRH-UHFFFAOYSA-N 2 0 318.421 0.631 20 30 DCEDRP C#CCC[N@@H+]1CCOC2(CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001485009762 943652542 /nfs/dbraw/zinc/65/25/42/943652542.db2.gz HUZSHVBRURAQOE-UHFFFAOYSA-N 2 0 307.438 0.655 20 30 DCEDRP C=CCCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001486277925 944689799 /nfs/dbraw/zinc/68/97/99/944689799.db2.gz JVSXVHAAHNZCCR-HZPDHXFCSA-N 2 0 309.454 0.703 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001317114178 944803437 /nfs/dbraw/zinc/80/34/37/944803437.db2.gz TWNFKOGMYYOPOA-MELADBBJSA-N 2 0 322.453 0.398 20 30 DCEDRP C=CCNC(=O)C[N@@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001277423243 944814573 /nfs/dbraw/zinc/81/45/73/944814573.db2.gz OHKBPTYVQOLEFN-UHFFFAOYSA-N 2 0 324.469 0.553 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CC#CCOC)C1 ZINC001317162728 944832319 /nfs/dbraw/zinc/83/23/19/944832319.db2.gz QNQAVDPRNZZNQB-INIZCTEOSA-N 2 0 309.454 0.806 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001317327903 944926510 /nfs/dbraw/zinc/92/65/10/944926510.db2.gz YFROTVKDSPEZMG-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]Cc2cnon2)CC1 ZINC001317415692 944963338 /nfs/dbraw/zinc/96/33/38/944963338.db2.gz MTXIHQPMKDDQEA-ZDUSSCGKSA-N 2 0 319.409 0.399 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001319271334 945537940 /nfs/dbraw/zinc/53/79/40/945537940.db2.gz YZALHGYRLQOLRW-KGLIPLIRSA-N 2 0 322.453 0.115 20 30 DCEDRP C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001247003090 945540662 /nfs/dbraw/zinc/54/06/62/945540662.db2.gz NGPGMIMLRNYPRT-KGLIPLIRSA-N 2 0 308.426 0.457 20 30 DCEDRP C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)C1CC[NH+](C)CC1 ZINC001319776260 945664485 /nfs/dbraw/zinc/66/44/85/945664485.db2.gz JMCRFIBMZVUYJN-KXEGMRRWSA-N 2 0 306.410 0.833 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCOCC1 ZINC001278726637 946129887 /nfs/dbraw/zinc/12/98/87/946129887.db2.gz ZJPUJYOWXSROGG-UHFFFAOYSA-N 2 0 307.438 0.607 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+]C[C@H](C)OC)CC1 ZINC001321418185 946324102 /nfs/dbraw/zinc/32/41/02/946324102.db2.gz XTGZBMQLJXBUFI-YVACAVLKSA-N 2 0 307.438 0.629 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC001278889565 946554713 /nfs/dbraw/zinc/55/47/13/946554713.db2.gz YSOAPRKHROGEDA-MRXNPFEDSA-N 2 0 309.454 0.491 20 30 DCEDRP C=C(Br)CN[C@@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001410790215 946940136 /nfs/dbraw/zinc/94/01/36/946940136.db2.gz QKGIPXAGQXMCQI-LLVKDONJSA-N 2 0 322.247 0.302 20 30 DCEDRP CC#CC[NH2+]C1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001325784753 947923043 /nfs/dbraw/zinc/92/30/43/947923043.db2.gz XDGBKGXPXRYFLT-INIZCTEOSA-N 2 0 306.454 0.274 20 30 DCEDRP C=CCC[N@H+]1CCC[C@](CO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001325846366 947950005 /nfs/dbraw/zinc/95/00/05/947950005.db2.gz HCQBSUOAOLVYLC-KRWDZBQOSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CCN1CC[C@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001273864525 948640453 /nfs/dbraw/zinc/64/04/53/948640453.db2.gz XVYCSFLVPOUOCK-PBHICJAKSA-N 2 0 307.438 0.293 20 30 DCEDRP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H](CC)[NH+](C)C)n1 ZINC001264028449 948845992 /nfs/dbraw/zinc/84/59/92/948845992.db2.gz WUVYUDMSVQTERM-LBPRGKRZSA-N 2 0 307.398 0.414 20 30 DCEDRP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001264634142 949039453 /nfs/dbraw/zinc/03/94/53/949039453.db2.gz KHHFXVSGSMNDSD-DLBZAZTESA-N 2 0 321.465 0.637 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1OCC ZINC001489016539 949436860 /nfs/dbraw/zinc/43/68/60/949436860.db2.gz NXGLWMLTENWPCH-HUUCEWRRSA-N 2 0 309.454 0.967 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001265597227 949805015 /nfs/dbraw/zinc/80/50/15/949805015.db2.gz SZPGIQABNUZULA-SJORKVTESA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001330686505 950588802 /nfs/dbraw/zinc/58/88/02/950588802.db2.gz LZLSPRSEARLGRP-BZUAXINKSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CN(C)CCO2)c(F)c1 ZINC001279710806 950677283 /nfs/dbraw/zinc/67/72/83/950677283.db2.gz XIGGHVLOVKPNLE-INIZCTEOSA-N 2 0 319.380 0.495 20 30 DCEDRP C#CCC[NH+]1CCN(CCCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001490473544 950714802 /nfs/dbraw/zinc/71/48/02/950714802.db2.gz QAYHQXPUARENKF-MRXNPFEDSA-N 2 0 306.454 0.228 20 30 DCEDRP C=C[C@](C)(O)C[N@H+]1CC[C@@]2(CCN(Cc3cncn3C)C2=O)C1 ZINC001274617239 951743721 /nfs/dbraw/zinc/74/37/21/951743721.db2.gz WGXNXPVPKUMHML-DLBZAZTESA-N 2 0 318.421 0.782 20 30 DCEDRP C#CCN1CC[NH+](CCCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001274878546 951870526 /nfs/dbraw/zinc/87/05/26/951870526.db2.gz AZCIYXRCRSROQJ-QGZVFWFLSA-N 2 0 320.481 0.475 20 30 DCEDRP C=CCN1CC[C@H]([NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C)C1=O ZINC001276013776 952622624 /nfs/dbraw/zinc/62/26/24/952622624.db2.gz ZPXBLQSQIWSQIA-GJZGRUSLSA-N 2 0 324.469 0.550 20 30 DCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001341732431 953248034 /nfs/dbraw/zinc/24/80/34/953248034.db2.gz JXFPCCMRUXCXLD-CVEARBPZSA-N 2 0 308.470 0.908 20 30 DCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001343474301 953348815 /nfs/dbraw/zinc/34/88/15/953348815.db2.gz UVAFAOIYIMDVIV-RRFJBIMHSA-N 2 0 308.426 0.455 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+]CCCO)C2)CC1 ZINC001282083097 953491972 /nfs/dbraw/zinc/49/19/72/953491972.db2.gz ACXCRUWYYCRHBF-UHFFFAOYSA-N 2 0 307.438 0.198 20 30 DCEDRP C=CCOCC[NH+]1CC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001282739468 953664962 /nfs/dbraw/zinc/66/49/62/953664962.db2.gz UTAPOKONHAOMGN-CQSZACIVSA-N 2 0 307.438 0.721 20 30 DCEDRP C#CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001282929881 953780082 /nfs/dbraw/zinc/78/00/82/953780082.db2.gz URBIDQYBFKKSOY-CABCVRRESA-N 2 0 305.422 0.311 20 30 DCEDRP C=CCOCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001284016067 954780380 /nfs/dbraw/zinc/78/03/80/954780380.db2.gz IABRJKPEKGRALA-HUUCEWRRSA-N 2 0 307.438 0.864 20 30 DCEDRP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CN(CC)CCO1 ZINC001284520116 955152391 /nfs/dbraw/zinc/15/23/91/955152391.db2.gz OKWFWHYMURSCTL-HUUCEWRRSA-N 2 0 313.442 0.034 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CCOCC)C2)CC1 ZINC001491856853 959313088 /nfs/dbraw/zinc/31/30/88/959313088.db2.gz UUYJNVLUKJWTSN-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491883165 959351181 /nfs/dbraw/zinc/35/11/81/959351181.db2.gz SXTNJTHJDPWHAP-HOTGVXAUSA-N 2 0 321.465 0.995 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC#CCOC)C1 ZINC001317057238 960341636 /nfs/dbraw/zinc/34/16/36/960341636.db2.gz PMIDOVOGMDFSMK-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001502603090 1015993319 /nfs/dbraw/zinc/99/33/19/1015993319.db2.gz GCXCALOZBBHBMM-DOTOQJQBSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CC[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001502834509 1016094325 /nfs/dbraw/zinc/09/43/25/1016094325.db2.gz LXUBNWPVXNSYPO-INIZCTEOSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001505668196 1016423931 /nfs/dbraw/zinc/42/39/31/1016423931.db2.gz UZCYTSWQNZFUSY-GJZGRUSLSA-N 2 0 309.454 0.993 20 30 DCEDRP N#Cc1cccc(C[NH2+]C[C@H](O)CNC(=O)C[NH+]2CCCC2)c1 ZINC001420192776 1002013074 /nfs/dbraw/zinc/01/30/74/1002013074.db2.gz RICODOOZABOEGQ-INIZCTEOSA-N 2 0 316.405 0.221 20 30 DCEDRP C#CC[NH2+]C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C(C)(C)C ZINC001507940654 1016602188 /nfs/dbraw/zinc/60/21/88/1016602188.db2.gz YVSASAYSNIXCMK-HNNXBMFYSA-N 2 0 319.453 0.812 20 30 DCEDRP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC001406235419 1003509420 /nfs/dbraw/zinc/50/94/20/1003509420.db2.gz CZOUQPPGOOCSTD-BXUZGUMPSA-N 2 0 324.450 0.527 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)C[C@@H]2CCOC2)CC1 ZINC001506065426 1016968639 /nfs/dbraw/zinc/96/86/39/1016968639.db2.gz OVFGEXQIFDCDBJ-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP C=C(Cl)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCOCC1 ZINC001439968002 1007334146 /nfs/dbraw/zinc/33/41/46/1007334146.db2.gz ONGRIWSRLLJJKX-UHFFFAOYSA-N 2 0 303.834 0.946 20 30 DCEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001521490669 1017386713 /nfs/dbraw/zinc/38/67/13/1017386713.db2.gz UIOUZCOIAUCALH-CVEARBPZSA-N 2 0 324.469 0.193 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001479345805 1017507568 /nfs/dbraw/zinc/50/75/68/1017507568.db2.gz AUTPPPWFSOGAPA-CALCHBBNSA-N 2 0 321.465 0.997 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CC#CCOC)C2)C1 ZINC001480115185 1018219105 /nfs/dbraw/zinc/21/91/05/1018219105.db2.gz MBPKRCGSYVKSDA-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001497578861 1018244891 /nfs/dbraw/zinc/24/48/91/1018244891.db2.gz KUIJFZSNYXIAGR-YIEVGGLXSA-N 2 0 307.438 0.771 20 30 DCEDRP C=CCOCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001500401487 1018439824 /nfs/dbraw/zinc/43/98/24/1018439824.db2.gz FYDCRDCBUAQAGP-NVXWUHKLSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001500542956 1018488004 /nfs/dbraw/zinc/48/80/04/1018488004.db2.gz PAFOVFMSYHYZAV-SFHVURJKSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001480538075 1018638654 /nfs/dbraw/zinc/63/86/54/1018638654.db2.gz STZITNYTMWKZQJ-ZIAGYGMSSA-N 2 0 324.469 0.197 20 30 DCEDRP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001480679957 1018770308 /nfs/dbraw/zinc/77/03/08/1018770308.db2.gz RIQLKFKJDPLQIY-HZPDHXFCSA-N 2 0 309.454 0.969 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001493205738 1019199876 /nfs/dbraw/zinc/19/98/76/1019199876.db2.gz GTWGSMUXIUQJAH-OWCLPIDISA-N 2 0 307.438 0.415 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001496908832 1019752511 /nfs/dbraw/zinc/75/25/11/1019752511.db2.gz QCBJWZGYQPEDKE-RDJZCZTQSA-N 2 0 321.465 0.995 20 30 DCEDRP C[N@@H+]1CC[C@](O)(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000262317938 529809085 /nfs/dbraw/zinc/80/90/85/529809085.db2.gz RAGKXLPNLSSTMI-CJNGLKHVSA-N 2 0 304.394 0.481 20 30 DCEDRP C[C@@H]1C[NH+]=C(NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)N1 ZINC000262644479 238177574 /nfs/dbraw/zinc/17/75/74/238177574.db2.gz IRBGREHZWFHNDE-GFCCVEGCSA-N 2 0 309.458 0.550 20 30 DCEDRP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000329441133 396844181 /nfs/dbraw/zinc/84/41/81/396844181.db2.gz KXVVEFBGSOGSQW-CABCVRRESA-N 2 0 311.474 0.610 20 30 DCEDRP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492880 397192947 /nfs/dbraw/zinc/19/29/47/397192947.db2.gz GIXRWRMGGNLDJC-KBPBESRZSA-N 2 0 308.426 0.710 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000343733011 415702595 /nfs/dbraw/zinc/70/25/95/415702595.db2.gz ACWMHYMODYHILB-UHFFFAOYSA-N 2 0 322.453 0.307 20 30 DCEDRP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344009539 415816616 /nfs/dbraw/zinc/81/66/16/415816616.db2.gz AZQRSGNRGCNXQR-HNNXBMFYSA-N 2 0 323.485 0.753 20 30 DCEDRP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1=O ZINC000337177994 415922246 /nfs/dbraw/zinc/92/22/46/415922246.db2.gz KJAOFQZNAQSQAJ-HZPDHXFCSA-N 2 0 306.454 0.485 20 30 DCEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000329782333 416190729 /nfs/dbraw/zinc/19/07/29/416190729.db2.gz UHFNMZPODILVAD-OCCSQVGLSA-N 2 0 310.442 0.429 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000339667515 416162117 /nfs/dbraw/zinc/16/21/17/416162117.db2.gz RIILDPNIRZVSGB-UHFFFAOYSA-N 2 0 322.453 0.354 20 30 DCEDRP C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)C1=CC[NH+](C)CC1 ZINC000329280728 416162233 /nfs/dbraw/zinc/16/22/33/416162233.db2.gz DRIMCZXOBJXKMS-DZGCQCFKSA-N 2 0 309.458 0.386 20 30 DCEDRP C[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)C1=CC[N@H+](C)CC1 ZINC000330789219 416239492 /nfs/dbraw/zinc/23/94/92/416239492.db2.gz RTWYRIOUGJXJRV-CYBMUJFWSA-N 2 0 320.441 1.421 20 30 DCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)C(C)C ZINC000417062938 416381935 /nfs/dbraw/zinc/38/19/35/416381935.db2.gz MYJWUBRLUXXDMY-JKSUJKDBSA-N 2 0 324.469 0.973 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000491674640 416613041 /nfs/dbraw/zinc/61/30/41/416613041.db2.gz WHWZTHGCFABVEO-UHFFFAOYSA-N 2 0 324.469 0.694 20 30 DCEDRP N#Cc1cnnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000596099018 416576750 /nfs/dbraw/zinc/57/67/50/416576750.db2.gz WUEKDLJGYRLKIN-UHFFFAOYSA-N 2 0 323.404 1.367 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCOCC[NH+](CC)CC)CC1 ZINC000490950672 416581811 /nfs/dbraw/zinc/58/18/11/416581811.db2.gz RJFKNPZBADPRFN-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CCNC(=O)CC[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000491810342 416631524 /nfs/dbraw/zinc/63/15/24/416631524.db2.gz ZGNWKFVLSDAQLD-KRWDZBQOSA-N 2 0 315.417 0.482 20 30 DCEDRP C=C(CNC(=O)[C@@H](CC)[NH+](C)C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC000620748809 417271626 /nfs/dbraw/zinc/27/16/26/417271626.db2.gz ZMFYKAASBSPXMU-ZIAGYGMSSA-N 2 0 312.458 0.455 20 30 DCEDRP C[C@@H]1C[NH+](CC#CC[NH+]2C[C@H](C)C(O)[C@@H](C)C2)C[C@@H](C)C1O ZINC000661620459 418352560 /nfs/dbraw/zinc/35/25/60/418352560.db2.gz AJHCKUHZNSQKIQ-RUPPMWDTSA-N 2 0 308.466 0.887 20 30 DCEDRP C(#CC[N@@H+]1CC[C@@H]2COC[C@@H]2C1)C[NH+]1CC[C@@H]2COC[C@H]2C1 ZINC000662037515 418377419 /nfs/dbraw/zinc/37/74/19/418377419.db2.gz UGKWLIMLUIPMJO-TVFCKZIOSA-N 2 0 304.434 0.926 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nnc2n1CCCC2 ZINC000303892891 276184240 /nfs/dbraw/zinc/18/42/40/276184240.db2.gz ROWICPCYLMLIOP-LBPRGKRZSA-N 2 0 305.430 0.503 20 30 DCEDRP CSC1(C[NH2+]C[C@@H](O)CN(C)CCC#N)CC[NH+](C)CC1 ZINC000521427605 333381708 /nfs/dbraw/zinc/38/17/08/333381708.db2.gz KFRLMZQZLNXYAD-CQSZACIVSA-N 2 0 314.499 0.610 20 30 DCEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N[C@H](C)c1ccc(C)o1 ZINC000262758485 333871963 /nfs/dbraw/zinc/87/19/63/333871963.db2.gz CHORPDBWNOCCFI-KGLIPLIRSA-N 2 0 305.426 0.814 20 30 DCEDRP C[NH+](C)[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000330249311 336129757 /nfs/dbraw/zinc/12/97/57/336129757.db2.gz ZTMHIRAUFPCYAE-BZUAXINKSA-N 2 0 324.469 0.914 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000569093055 341690475 /nfs/dbraw/zinc/69/04/75/341690475.db2.gz RTHBIRJAQIKGNP-OAHLLOKOSA-N 2 0 309.458 0.230 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001568573113 1160689245 /nfs/dbraw/zinc/68/92/45/1160689245.db2.gz KWRGTESQELDVQN-OAHLLOKOSA-N 2 0 309.454 0.589 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001569819577 1161261795 /nfs/dbraw/zinc/26/17/95/1161261795.db2.gz MTJBZXPGVKEFIV-KGLIPLIRSA-N 2 0 310.442 0.067 20 30 DCEDRP Cn1cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1C#N ZINC000191283533 521777432 /nfs/dbraw/zinc/77/74/32/521777432.db2.gz BDDPXQDBHNYGAP-UHFFFAOYSA-N 2 0 317.437 0.787 20 30 DCEDRP C[NH+]=C(NCC(=O)N1CCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262483622 526345894 /nfs/dbraw/zinc/34/58/94/526345894.db2.gz SBPFDFWMASYECI-HNNXBMFYSA-N 2 0 321.469 0.744 20 30 DCEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)NC[C@@]1(C)CCCS1 ZINC000261967206 526372420 /nfs/dbraw/zinc/37/24/20/526372420.db2.gz LTNWSXRTKINTSQ-UKRRQHHQSA-N 2 0 313.515 0.683 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000354711374 526421233 /nfs/dbraw/zinc/42/12/33/526421233.db2.gz OWHZYNSPFAXIAN-CQSZACIVSA-N 2 0 308.426 0.011 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000364334946 526433876 /nfs/dbraw/zinc/43/38/76/526433876.db2.gz DHARWPLTODEBRV-HZPDHXFCSA-N 2 0 322.453 0.799 20 30 DCEDRP C=C(C)CNC(=[NH2+])NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000264118583 526575775 /nfs/dbraw/zinc/57/57/75/526575775.db2.gz UBOKCMXIZSBCDT-INIZCTEOSA-N 2 0 302.422 0.886 20 30 DCEDRP CC(C)[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000185520780 527382682 /nfs/dbraw/zinc/38/26/82/527382682.db2.gz BNQCNVSYPTWOIK-HNNXBMFYSA-N 2 0 323.485 0.846 20 30 DCEDRP CCN(CC)C(=[NH2+])NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000264054204 527983124 /nfs/dbraw/zinc/98/31/24/527983124.db2.gz ACPLIGLCDGQIFB-UHFFFAOYSA-N 2 0 304.442 0.990 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000669464939 546974328 /nfs/dbraw/zinc/97/43/28/546974328.db2.gz LWGSNLKMVXEJPJ-ZFWWWQNUSA-N 2 0 310.442 0.785 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CCCO)CC2(C)C)CC1 ZINC000977660284 660412459 /nfs/dbraw/zinc/41/24/59/660412459.db2.gz YRDUFGCTBXICJT-INIZCTEOSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC000978395557 660531970 /nfs/dbraw/zinc/53/19/70/660531970.db2.gz FSRUVTLXYULEMW-PHZGNYQRSA-N 2 0 301.434 0.932 20 30 DCEDRP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC000978634739 660576327 /nfs/dbraw/zinc/57/63/27/660576327.db2.gz HJMSOICYWNCLHO-JONQDZQNSA-N 2 0 307.438 0.576 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)C[C@H](C)O)C2)CC1 ZINC000980479408 660947505 /nfs/dbraw/zinc/94/75/05/660947505.db2.gz VTGXJFCAXBFETH-HOCLYGCPSA-N 2 0 307.438 0.245 20 30 DCEDRP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC000981689306 661195450 /nfs/dbraw/zinc/19/54/50/661195450.db2.gz RUXMOGNJCKDCQI-HNNXBMFYSA-N 2 0 307.438 0.818 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCCO)C2 ZINC000981818887 661222802 /nfs/dbraw/zinc/22/28/02/661222802.db2.gz HBFFPFMBRXTIPK-INIZCTEOSA-N 2 0 319.449 0.391 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891920835 657918039 /nfs/dbraw/zinc/91/80/39/657918039.db2.gz DTEJJFULIDTMDB-NWDGAFQWSA-N 2 0 320.359 0.720 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023552280 657981277 /nfs/dbraw/zinc/98/12/77/657981277.db2.gz CMOAXAYIQWTJMN-DLBZAZTESA-N 2 0 321.465 0.947 20 30 DCEDRP C=C(C)CN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000972295636 658531094 /nfs/dbraw/zinc/53/10/94/658531094.db2.gz WISJNQHWUKRIQN-RDJZCZTQSA-N 2 0 307.438 0.960 20 30 DCEDRP C#CCN1CC([C@@H](C)NC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC000970338696 658870290 /nfs/dbraw/zinc/87/02/90/658870290.db2.gz OKDAMZNGCNKLIS-OCCSQVGLSA-N 2 0 300.406 0.824 20 30 DCEDRP C#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CN(C)CCO3)CC2)CC1 ZINC001000115493 665745815 /nfs/dbraw/zinc/74/58/15/665745815.db2.gz CPGSZXHEIVCXTB-HNNXBMFYSA-N 2 0 305.422 0.311 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028699517 661766424 /nfs/dbraw/zinc/76/64/24/661766424.db2.gz ZLQJGGQKJTXYOG-JBCIKUTRSA-N 2 0 317.433 0.311 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001029004328 661930024 /nfs/dbraw/zinc/93/00/24/661930024.db2.gz VOLGQFUTBLWXBI-OAHLLOKOSA-N 2 0 307.438 0.152 20 30 DCEDRP C=CC[NH2+][C@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001000431490 665839260 /nfs/dbraw/zinc/83/92/60/665839260.db2.gz JDGWNKKZBMJCRN-HNNXBMFYSA-N 2 0 305.426 0.825 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCO)CC1(C)C ZINC000940811781 665856450 /nfs/dbraw/zinc/85/64/50/665856450.db2.gz TYYNFBURVDPUIQ-GJZGRUSLSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC000928653540 662395695 /nfs/dbraw/zinc/39/56/95/662395695.db2.gz PRRDTIUVDRAWLE-UHFFFAOYSA-N 2 0 300.406 0.971 20 30 DCEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000985443372 662449322 /nfs/dbraw/zinc/44/93/22/662449322.db2.gz USBDMGUSJAQQGT-HZPDHXFCSA-N 2 0 307.438 0.958 20 30 DCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC000987169029 662650330 /nfs/dbraw/zinc/65/03/30/662650330.db2.gz ONTKNSSGZALPLS-DZGCQCFKSA-N 2 0 305.426 0.823 20 30 DCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C ZINC000987169031 662650516 /nfs/dbraw/zinc/65/05/16/662650516.db2.gz ONTKNSSGZALPLS-UKRRQHHQSA-N 2 0 305.426 0.823 20 30 DCEDRP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000988855215 662868049 /nfs/dbraw/zinc/86/80/49/662868049.db2.gz NCAJCMQDWYTLOR-KGLIPLIRSA-N 2 0 305.426 0.823 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC000941567273 666020581 /nfs/dbraw/zinc/02/05/81/666020581.db2.gz PWTPFMYBQRNEIW-WBVHZDCISA-N 2 0 320.481 0.589 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](C[C@H](C)OC)CC2)CC1 ZINC001004202249 666475713 /nfs/dbraw/zinc/47/57/13/666475713.db2.gz XOYDUMQNSOEFCE-HNNXBMFYSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCN1CC[C@@H](N(C)C(=O)c2cc([C@@H]3CCCN3C)[nH]n2)C1 ZINC001033096558 666503356 /nfs/dbraw/zinc/50/33/56/666503356.db2.gz MXUOQTZGHWCQEC-CJNGLKHVSA-N 2 0 315.421 0.956 20 30 DCEDRP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001035579650 667383832 /nfs/dbraw/zinc/38/38/32/667383832.db2.gz LDIAQCHTALOTDY-HNNXBMFYSA-N 2 0 307.438 0.865 20 30 DCEDRP C=CCOC(=O)[C@@H](N)CC(=O)NCCC[NH+]1CCCCCC1 ZINC000884178116 667491358 /nfs/dbraw/zinc/49/13/58/667491358.db2.gz CWEWILUVABVHQG-AWEZNQCLSA-N 2 0 311.426 0.815 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000884643191 667581293 /nfs/dbraw/zinc/58/12/93/667581293.db2.gz ZJQJMBXVMKUHHV-CQSZACIVSA-N 2 0 322.453 0.483 20 30 DCEDRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000872238153 667881251 /nfs/dbraw/zinc/88/12/51/667881251.db2.gz DOJLIYVGTCTSGI-QZTJIDSGSA-N 2 0 314.433 0.223 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000876801489 668513880 /nfs/dbraw/zinc/51/38/80/668513880.db2.gz DGFDCQRTMKIUKJ-USWWRNFRSA-N 2 0 312.295 0.933 20 30 DCEDRP C#C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H]1CCCO1 ZINC000776226786 668873380 /nfs/dbraw/zinc/87/33/80/668873380.db2.gz USCCICBVWSQHHR-GJZGRUSLSA-N 2 0 310.442 0.302 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N1CCN(C(=O)C(=C)C[NH+](C)C)[C@@H](C)C1 ZINC000798294531 669997456 /nfs/dbraw/zinc/99/74/56/669997456.db2.gz SYUDIIQUXASSFR-HNNXBMFYSA-N 2 0 322.453 0.281 20 30 DCEDRP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)CCO2 ZINC000949051307 670247706 /nfs/dbraw/zinc/24/77/06/670247706.db2.gz FVPJAWVTJVRDPM-INIZCTEOSA-N 2 0 319.449 0.797 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](CCCO)CC2)CC1 ZINC001006445446 670392435 /nfs/dbraw/zinc/39/24/35/670392435.db2.gz GXUHRZNLZWNKRO-UHFFFAOYSA-N 2 0 321.465 0.637 20 30 DCEDRP C[NH+]=C(NCCC[NH+]1CCCCC1)NCCN1CCOCC1 ZINC000848982691 670744910 /nfs/dbraw/zinc/74/49/10/670744910.db2.gz XYJHIXDPCQNDEC-UHFFFAOYSA-N 2 0 311.474 0.360 20 30 DCEDRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852883795 671184721 /nfs/dbraw/zinc/18/47/21/671184721.db2.gz NXWRNEJWEONNQP-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP C#C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1CCOCC1 ZINC000823181630 671376213 /nfs/dbraw/zinc/37/62/13/671376213.db2.gz LVAHYSADSKBGHX-MRXNPFEDSA-N 2 0 324.469 0.550 20 30 DCEDRP C#CC1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000830306016 671622543 /nfs/dbraw/zinc/62/25/43/671622543.db2.gz ZWZYJCDICKITDH-QGZVFWFLSA-N 2 0 321.465 0.805 20 30 DCEDRP CC(C)C[C@H](CNC(=[NH2+])NCCCN1CCOCC1)[NH+](C)C ZINC000303777042 685207381 /nfs/dbraw/zinc/20/73/81/685207381.db2.gz IKIYJCJUQRSQCK-OAHLLOKOSA-N 2 0 313.490 0.589 20 30 DCEDRP CC#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214826 687445912 /nfs/dbraw/zinc/44/59/12/687445912.db2.gz NNEHAMQRNNMZBR-CABCVRRESA-N 2 0 305.422 0.047 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CCC([NH2+]CCO)CC2)CC1 ZINC000964437151 689243656 /nfs/dbraw/zinc/24/36/56/689243656.db2.gz LVYIKYCWSAWTSV-UHFFFAOYSA-N 2 0 321.465 0.683 20 30 DCEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC001072914167 694683444 /nfs/dbraw/zinc/68/34/44/694683444.db2.gz YCUKPCCFRFJPRX-HNNXBMFYSA-N 2 0 307.438 0.816 20 30 DCEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC001072914110 694683598 /nfs/dbraw/zinc/68/35/98/694683598.db2.gz VBLKVXDTVLOJQW-INIZCTEOSA-N 2 0 319.449 0.653 20 30 DCEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001074757331 694920960 /nfs/dbraw/zinc/92/09/60/694920960.db2.gz XYKDYCVUYMUSRR-MLURZJSDSA-N 2 0 305.422 0.615 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC#CC)C[C@@H]2C)CC1 ZINC001571492384 1162781906 /nfs/dbraw/zinc/78/19/06/1162781906.db2.gz CPPDFBIOYMQUPS-RDJZCZTQSA-N 2 0 301.434 0.934 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC#CCOC)C1CC1 ZINC001670480023 1157448750 /nfs/dbraw/zinc/44/87/50/1157448750.db2.gz LSQWJNIKXBTTIZ-DLBZAZTESA-N 2 0 321.465 0.995 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1OCC ZINC001691337693 1157647142 /nfs/dbraw/zinc/64/71/42/1157647142.db2.gz GNSYCRSYLJYTHN-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001754821839 1157866515 /nfs/dbraw/zinc/86/65/15/1157866515.db2.gz YPRSWQQYGRJCCT-JKSUJKDBSA-N 2 0 309.454 0.662 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001752470439 1158010444 /nfs/dbraw/zinc/01/04/44/1158010444.db2.gz DVLZUEPDLYEHIK-MRXNPFEDSA-N 2 0 319.449 0.749 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001755443793 1158141557 /nfs/dbraw/zinc/14/15/57/1158141557.db2.gz DEFWXJLDIKZXSI-LSDHHAIUSA-N 2 0 309.454 0.803 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001248690124 1159136918 /nfs/dbraw/zinc/13/69/18/1159136918.db2.gz IJXPDVLPBJTWAI-UONOGXRCSA-N 2 0 310.467 0.430 20 30 DCEDRP CC#CCN1CCN(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001566649024 1160111053 /nfs/dbraw/zinc/11/10/53/1160111053.db2.gz DVSUOAQOZQFVON-DLBZAZTESA-N 2 0 320.481 0.474 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001566654073 1160113330 /nfs/dbraw/zinc/11/33/30/1160113330.db2.gz GPHIYTHESUJXJR-QGZVFWFLSA-N 2 0 320.481 0.618 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001568535451 1160672251 /nfs/dbraw/zinc/67/22/51/1160672251.db2.gz DVDOCBGEHHNEAF-JKSUJKDBSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001568766628 1160766375 /nfs/dbraw/zinc/76/63/75/1160766375.db2.gz DPWONVOYVACYCA-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)C1=O ZINC001569013109 1160917889 /nfs/dbraw/zinc/91/78/89/1160917889.db2.gz BXRXKIPUXIAKKR-KFWWJZLASA-N 2 0 322.453 0.352 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001569522863 1161086408 /nfs/dbraw/zinc/08/64/08/1161086408.db2.gz OXFKKOULIRTOEE-HUUCEWRRSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001569662544 1161188785 /nfs/dbraw/zinc/18/87/85/1161188785.db2.gz VUAQHVWFNNDVAD-PBHICJAKSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001569748778 1161221364 /nfs/dbraw/zinc/22/13/64/1161221364.db2.gz IUTZNOFJSONBEF-DZGCQCFKSA-N 2 0 301.406 0.405 20 30 DCEDRP CC#CCN1CCC[C@](CO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 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C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001667394407 1174680797 /nfs/dbraw/zinc/68/07/97/1174680797.db2.gz SWIHASOXVZIUHA-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001667940269 1174736283 /nfs/dbraw/zinc/73/62/83/1174736283.db2.gz YLOJSNFOHQIWMF-CVEARBPZSA-N 2 0 309.454 0.587 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001672538513 1175123782 /nfs/dbraw/zinc/12/37/82/1175123782.db2.gz RRVQSIBBOMAUPI-SJORKVTESA-N 2 0 319.449 0.797 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001673675613 1175222353 /nfs/dbraw/zinc/22/23/53/1175222353.db2.gz DBVMLXOMDQISMV-QGZVFWFLSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CC[NH2+]CC1CC(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001674587706 1175284558 /nfs/dbraw/zinc/28/45/58/1175284558.db2.gz PSKBIMLODCSIHR-UHFFFAOYSA-N 2 0 303.410 0.176 20 30 DCEDRP C#CC[NH2+]CCCOCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001676183101 1175426727 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IZTKOHZTZCEPLA-SJORKVTESA-N 2 0 321.465 0.758 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001690785673 1177324624 /nfs/dbraw/zinc/32/46/24/1177324624.db2.gz XBCMHHNJTQDRPJ-GJZGRUSLSA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001691924905 1177385162 /nfs/dbraw/zinc/38/51/62/1177385162.db2.gz MVVHDINLPCSNJY-LSDHHAIUSA-N 2 0 322.453 0.069 20 30 DCEDRP C#CCC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001692241242 1177456365 /nfs/dbraw/zinc/45/63/65/1177456365.db2.gz HELMWTISWFXHHU-IAGOWNOFSA-N 2 0 321.465 0.637 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001698579937 1177568996 /nfs/dbraw/zinc/56/89/96/1177568996.db2.gz ZFCKDLHOIZBJSL-HNNXBMFYSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CCC[N@@H+](C)CCN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001699003423 1177762162 /nfs/dbraw/zinc/76/21/62/1177762162.db2.gz WDBNMCCCMAFCIN-UHFFFAOYSA-N 2 0 305.426 0.472 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001699011495 1177768962 /nfs/dbraw/zinc/76/89/62/1177768962.db2.gz AJVGTCQMEJOWMO-IRXDYDNUSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CC[C@@H]2CCOC2)CC1 ZINC001699388707 1178114390 /nfs/dbraw/zinc/11/43/90/1178114390.db2.gz WCQWAEIVHBCESJ-HZPDHXFCSA-N 2 0 321.465 0.853 20 30 DCEDRP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001699901114 1178353601 /nfs/dbraw/zinc/35/36/01/1178353601.db2.gz LKGXEMNMKUTWHJ-RDJZCZTQSA-N 2 0 309.454 0.683 20 30 DCEDRP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001700006989 1178427378 /nfs/dbraw/zinc/42/73/78/1178427378.db2.gz IAKHQWLBHWYHSY-DOTOQJQBSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CCNC(=O)C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001700203465 1178529684 /nfs/dbraw/zinc/52/96/84/1178529684.db2.gz QYKUPDOXHJNPDO-HNNXBMFYSA-N 2 0 322.453 0.048 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CC(=C)C)CC1 ZINC001700301393 1178572442 /nfs/dbraw/zinc/57/24/42/1178572442.db2.gz MSKUNCFTUFZTOJ-INIZCTEOSA-N 2 0 319.449 0.603 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001700300739 1178572630 /nfs/dbraw/zinc/57/26/30/1178572630.db2.gz COXQDNVCFZTXNC-HOTGVXAUSA-N 2 0 319.449 0.580 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001700356469 1178595556 /nfs/dbraw/zinc/59/55/56/1178595556.db2.gz PIXXDZJXZWHWDS-JKSUJKDBSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+]C[C@H](C)O)C2)CC1 ZINC001700381716 1178603549 /nfs/dbraw/zinc/60/35/49/1178603549.db2.gz AEHCYMJKGMBTGB-HLIUYOAVSA-N 2 0 307.438 0.197 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001700666430 1178698174 /nfs/dbraw/zinc/69/81/74/1178698174.db2.gz UNSZUKUTKGDYSH-LSDHHAIUSA-N 2 0 322.453 0.095 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CC[C@@H](C)F)CC1 ZINC001700808159 1178758804 /nfs/dbraw/zinc/75/88/04/1178758804.db2.gz NUSNALWFACEPIQ-HIFRSBDPSA-N 2 0 313.417 0.146 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001700947513 1178824425 /nfs/dbraw/zinc/82/44/25/1178824425.db2.gz SSWAXVBYOBBOCF-CQSZACIVSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001700966450 1178847099 /nfs/dbraw/zinc/84/70/99/1178847099.db2.gz WHQVEPNCLOWBBC-HOTGVXAUSA-N 2 0 309.454 0.493 20 30 DCEDRP C#CCNC(=O)C[N@@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001712991507 1180613846 /nfs/dbraw/zinc/61/38/46/1180613846.db2.gz SPDPSJNKDYYWHH-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2)C1=O ZINC001713205850 1180718754 /nfs/dbraw/zinc/71/87/54/1180718754.db2.gz SSKOFGMPWNVABA-XGUBFFRZSA-N 2 0 322.453 0.350 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001713517187 1180887957 /nfs/dbraw/zinc/88/79/57/1180887957.db2.gz FDFWGQWQFMOUPH-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]C[C@H]2CCCOC2)CC1 ZINC001713666979 1181008010 /nfs/dbraw/zinc/00/80/10/1181008010.db2.gz KYUVVGRZWQYAJL-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP CC#CCN1CC[NH+](CCCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001713801596 1181077683 /nfs/dbraw/zinc/07/76/83/1181077683.db2.gz ACNCVFHFBOHIFA-UHFFFAOYSA-N 2 0 308.470 0.475 20 30 DCEDRP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001714381040 1181343007 /nfs/dbraw/zinc/34/30/07/1181343007.db2.gz XEGILIXAXDOJAH-CVEARBPZSA-N 2 0 309.454 0.969 20 30 DCEDRP COCC#CC[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714709837 1181495076 /nfs/dbraw/zinc/49/50/76/1181495076.db2.gz SAMQIFXYXSUJGD-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001714887531 1181587505 /nfs/dbraw/zinc/58/75/05/1181587505.db2.gz TUDRAUIBLUVCSY-IAGOWNOFSA-N 2 0 322.497 0.979 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@](C)(C[NH2+]C[C@H](C)O)C2CC2)CC1 ZINC001715123701 1181695343 /nfs/dbraw/zinc/69/53/43/1181695343.db2.gz JVIBZHOEHHMYLY-KBXCAEBGSA-N 2 0 321.465 0.587 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001715245207 1181731682 /nfs/dbraw/zinc/73/16/82/1181731682.db2.gz MCMKUCNZKWRKMJ-OAHLLOKOSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CCC[NH2+]C[C@H](C)N(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001715333481 1181777323 /nfs/dbraw/zinc/77/73/23/1181777323.db2.gz UNXKTQQTTHDYCB-AWEZNQCLSA-N 2 0 305.426 0.518 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001715609005 1181894770 /nfs/dbraw/zinc/89/47/70/1181894770.db2.gz QTWSLSJXHPCVNK-INIZCTEOSA-N 2 0 303.406 0.452 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001715611434 1181895799 /nfs/dbraw/zinc/89/57/99/1181895799.db2.gz AOROFLVPBGKTFZ-INIZCTEOSA-N 2 0 303.406 0.452 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001716255100 1182280238 /nfs/dbraw/zinc/28/02/38/1182280238.db2.gz HQWYYQPMMCYHBB-GASCZTMLSA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[NH2+]CCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001716586172 1182456776 /nfs/dbraw/zinc/45/67/76/1182456776.db2.gz NJCJWFFWIOUOGW-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001716779213 1182522988 /nfs/dbraw/zinc/52/29/88/1182522988.db2.gz UTQIQYJMYVQTPP-AWEZNQCLSA-N 2 0 322.453 0.354 20 30 DCEDRP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001716918521 1182573310 /nfs/dbraw/zinc/57/33/10/1182573310.db2.gz HTJQIWOOCGUSPI-AEFFLSMTSA-N 2 0 321.465 0.847 20 30 DCEDRP C=CCC[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001716930714 1182585948 /nfs/dbraw/zinc/58/59/48/1182585948.db2.gz UZMVWGJHQKUIAR-YJBOKZPZSA-N 2 0 321.465 0.990 20 30 DCEDRP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001717253486 1182750380 /nfs/dbraw/zinc/75/03/80/1182750380.db2.gz AXABLRMSPBFZMV-NVXWUHKLSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001717255819 1182753300 /nfs/dbraw/zinc/75/33/00/1182753300.db2.gz ANTFUSZSQHSKQY-QGZVFWFLSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CCC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCOCC1 ZINC001717265018 1182757220 /nfs/dbraw/zinc/75/72/20/1182757220.db2.gz WNZRUIBUULLSQO-ZIAGYGMSSA-N 2 0 316.405 0.792 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCCN1C(=O)Cn1ccnc1 ZINC001717376265 1182810022 /nfs/dbraw/zinc/81/00/22/1182810022.db2.gz NANRBZDUFLAJAP-OAHLLOKOSA-N 2 0 304.394 0.456 20 30 DCEDRP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001717615509 1182925607 /nfs/dbraw/zinc/92/56/07/1182925607.db2.gz LJMADLPILUWPRD-CABCVRRESA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001717801832 1183007670 /nfs/dbraw/zinc/00/76/70/1183007670.db2.gz IHSDDLWHLFFARL-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001724343361 1184410396 /nfs/dbraw/zinc/41/03/96/1184410396.db2.gz QSCMLVPVJBECTA-SFHVURJKSA-N 2 0 321.465 0.950 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCOCC1 ZINC001724353416 1184412279 /nfs/dbraw/zinc/41/22/79/1184412279.db2.gz BKAYVWCXNPNULW-OAHLLOKOSA-N 2 0 307.438 0.749 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CCO1 ZINC001724812738 1184569005 /nfs/dbraw/zinc/56/90/05/1184569005.db2.gz KAHJIVBHJYDQHM-IAGOWNOFSA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001724908227 1184615169 /nfs/dbraw/zinc/61/51/69/1184615169.db2.gz FRRDWADTCWYGMG-DOTOQJQBSA-N 2 0 307.438 0.295 20 30 DCEDRP COCC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001725147641 1184695474 /nfs/dbraw/zinc/69/54/74/1184695474.db2.gz NBXHPOZLLCWLIM-OAHLLOKOSA-N 2 0 309.454 0.662 20 30 DCEDRP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001725371891 1184789335 /nfs/dbraw/zinc/78/93/35/1184789335.db2.gz IVCDUTSNSIZAQM-BZUAXINKSA-N 2 0 307.438 0.462 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001725580275 1184895639 /nfs/dbraw/zinc/89/56/39/1184895639.db2.gz IPOOCFXLACMZRM-GJZGRUSLSA-N 2 0 307.438 0.700 20 30 DCEDRP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001725693939 1184946436 /nfs/dbraw/zinc/94/64/36/1184946436.db2.gz FZUMKAKUWMCXNK-CVEARBPZSA-N 2 0 309.454 0.703 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001731500752 1185362170 /nfs/dbraw/zinc/36/21/70/1185362170.db2.gz WVCVVIYQAZAZMC-LSDHHAIUSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCCO)C2)CC1 ZINC001731706113 1185451124 /nfs/dbraw/zinc/45/11/24/1185451124.db2.gz XWVBYQALWALRQS-SJORKVTESA-N 2 0 321.465 0.731 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CCNC(=O)CCc1cncn1C ZINC001731739093 1185464124 /nfs/dbraw/zinc/46/41/24/1185464124.db2.gz SMFFPXXFXHNXAC-CQSZACIVSA-N 2 0 306.410 0.487 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)C[C@@H](CC)OC)CC1 ZINC001731796121 1185492370 /nfs/dbraw/zinc/49/23/70/1185492370.db2.gz RSNXWBYDMWUQJU-MRXNPFEDSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001731952327 1185602537 /nfs/dbraw/zinc/60/25/37/1185602537.db2.gz MWPOPRPLSJTREN-ZIAGYGMSSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CC[C@H]2CCCO2)CC1 ZINC001731988326 1185626630 /nfs/dbraw/zinc/62/66/30/1185626630.db2.gz UVVDCUVZJNYUFL-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC#CCOC ZINC001732374463 1185784965 /nfs/dbraw/zinc/78/49/65/1185784965.db2.gz WMZDSKXODVWAMR-HOTGVXAUSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001732455094 1185824438 /nfs/dbraw/zinc/82/44/38/1185824438.db2.gz SOCPMUQMRHWLHC-KGLIPLIRSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001732493613 1185834553 /nfs/dbraw/zinc/83/45/53/1185834553.db2.gz DPWPHXGXLJOTPL-CABCVRRESA-N 2 0 324.469 0.457 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C)[C@@H]2C[NH2+]CCO)CC1 ZINC001732545653 1185846685 /nfs/dbraw/zinc/84/66/85/1185846685.db2.gz UHQOKBBAWBIJGI-RDJZCZTQSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001732618012 1185876176 /nfs/dbraw/zinc/87/61/76/1185876176.db2.gz KZXGCHIYOUACLI-HOTGVXAUSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1CC[NH+](CC#C)CC1 ZINC001732632052 1185880808 /nfs/dbraw/zinc/88/08/08/1185880808.db2.gz XHKSAEWTDNKULC-IAGOWNOFSA-N 2 0 301.434 0.839 20 30 DCEDRP C[NH+](C)CCC(=O)N(CCO)CC[NH2+]CC#Cc1ccccc1 ZINC001733624088 1186376670 /nfs/dbraw/zinc/37/66/70/1186376670.db2.gz FWGGXNDSEKIZIV-UHFFFAOYSA-N 2 0 317.433 0.400 20 30 DCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC001733736715 1186421390 /nfs/dbraw/zinc/42/13/90/1186421390.db2.gz DBYLFBLJNRDGSG-HNNXBMFYSA-N 2 0 307.438 0.865 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCOCC1 ZINC001733832376 1186466961 /nfs/dbraw/zinc/46/69/61/1186466961.db2.gz STABITRSXYQDSK-MRXNPFEDSA-N 2 0 321.465 0.997 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC#CCOC)C1 ZINC001733960351 1186509161 /nfs/dbraw/zinc/50/91/61/1186509161.db2.gz RGSYEDBTYDLWCD-OFLPRAFFSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C)C1=O ZINC001734356001 1186621558 /nfs/dbraw/zinc/62/15/58/1186621558.db2.gz IMMUEMPICMOKTI-GJZGRUSLSA-N 2 0 324.469 0.550 20 30 DCEDRP C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001734429286 1186650960 /nfs/dbraw/zinc/65/09/60/1186650960.db2.gz WPSZHPVHOMIOMV-GJZGRUSLSA-N 2 0 307.438 0.700 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001752719555 1188434919 /nfs/dbraw/zinc/43/49/19/1188434919.db2.gz GDMQGNFZTGPQPU-FQUUOJAGSA-N 2 0 308.426 0.008 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C)C1=O ZINC001752921484 1188461989 /nfs/dbraw/zinc/46/19/89/1188461989.db2.gz SKYWHRNETBIVAB-KGLIPLIRSA-N 2 0 310.442 0.208 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]C[C@@H](C)OC)C2)CC1 ZINC001752963247 1188469229 /nfs/dbraw/zinc/46/92/29/1188469229.db2.gz LKYDLRSBDHPXAW-CVEARBPZSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001753104735 1188500796 /nfs/dbraw/zinc/50/07/96/1188500796.db2.gz VZQXXTMGSUVFQH-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC#CCOC ZINC001753729233 1188648334 /nfs/dbraw/zinc/64/83/34/1188648334.db2.gz IVFYFRFXNUJCMR-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001753767897 1188653252 /nfs/dbraw/zinc/65/32/52/1188653252.db2.gz PVLBENFRPSTBLL-GJZGRUSLSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001754252329 1188799479 /nfs/dbraw/zinc/79/94/79/1188799479.db2.gz QBKMCQLNKSQGBS-CQSZACIVSA-N 2 0 310.442 0.115 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001754449211 1188855258 /nfs/dbraw/zinc/85/52/58/1188855258.db2.gz MVVJBRLOQOSOKM-HNNXBMFYSA-N 2 0 307.438 0.462 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001754455372 1188856718 /nfs/dbraw/zinc/85/67/18/1188856718.db2.gz POMIPJZGWNUBJS-QGZVFWFLSA-N 2 0 321.465 0.853 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001754568509 1188881306 /nfs/dbraw/zinc/88/13/06/1188881306.db2.gz FYXVXJUKMRQETB-GOSISDBHSA-N 2 0 319.449 0.656 20 30 DCEDRP C=CCOCC[N@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001754683616 1188906112 /nfs/dbraw/zinc/90/61/12/1188906112.db2.gz LLMIWQLHCOBSIE-MRXNPFEDSA-N 2 0 307.438 0.865 20 30 DCEDRP C=CCC[N@H+]1CC[C@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001754759453 1188926406 /nfs/dbraw/zinc/92/64/06/1188926406.db2.gz MCHGKKHPVSBGOR-KRWDZBQOSA-N 2 0 309.454 0.847 20 30 DCEDRP C=CCC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001754767653 1188930181 /nfs/dbraw/zinc/93/01/81/1188930181.db2.gz UUEXOAFRUBRAQT-HOCLYGCPSA-N 2 0 321.465 0.846 20 30 DCEDRP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001754857532 1188951796 /nfs/dbraw/zinc/95/17/96/1188951796.db2.gz JQHDJIIPDHUFKN-KRWDZBQOSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CCO1 ZINC001755013005 1188996088 /nfs/dbraw/zinc/99/60/88/1188996088.db2.gz OPDVZTKTJWHRNG-QGZVFWFLSA-N 2 0 315.417 0.812 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001755090946 1189019331 /nfs/dbraw/zinc/01/93/31/1189019331.db2.gz GKNWWPUBBKQORA-FUHWJXTLSA-N 2 0 321.465 0.683 20 30 DCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001755155726 1189039403 /nfs/dbraw/zinc/03/94/03/1189039403.db2.gz GFHZXYSCHJYVAJ-UHFFFAOYSA-N 2 0 309.454 0.992 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001106986545 751710680 /nfs/dbraw/zinc/71/06/80/751710680.db2.gz UYKRESGYLOQCBA-BRWVUGGUSA-N 2 0 321.465 0.662 20 30 DCEDRP C#CCC[NH+](CCO)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001098540676 747112458 /nfs/dbraw/zinc/11/24/58/747112458.db2.gz UOFZSOQRRYUZRQ-UHFFFAOYSA-N 2 0 309.454 0.637 20 30 DCEDRP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210678722 747120666 /nfs/dbraw/zinc/12/06/66/747120666.db2.gz VSHDHDLFHXACDF-CYBMUJFWSA-N 2 0 303.834 0.898 20 30 DCEDRP C#CCC[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083248266 747421789 /nfs/dbraw/zinc/42/17/89/747421789.db2.gz YLTGLFSINPBIIV-HRCADAONSA-N 2 0 305.422 0.263 20 30 DCEDRP COCC#CC[NH2+]CC1(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001168146665 749499385 /nfs/dbraw/zinc/49/93/85/749499385.db2.gz INPPBPYVXCXTHI-UHFFFAOYSA-N 2 0 307.438 0.608 20 30 DCEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC001088912697 750723982 /nfs/dbraw/zinc/72/39/82/750723982.db2.gz MTGDUVFYWUESFD-HIFRSBDPSA-N 2 0 305.426 0.823 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106250225 751064903 /nfs/dbraw/zinc/06/49/03/751064903.db2.gz YIMXLEFKISPTEN-DJIMGWMZSA-N 2 0 321.465 0.661 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C ZINC001106767403 751271127 /nfs/dbraw/zinc/27/11/27/751271127.db2.gz ABEDCYSRKYXCGV-HZPDHXFCSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001077924163 752870561 /nfs/dbraw/zinc/87/05/61/752870561.db2.gz WHGJTLRWWUXMBB-HZPDHXFCSA-N 2 0 307.438 0.291 20 30 DCEDRP C=CCN1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001077975254 752934404 /nfs/dbraw/zinc/93/44/04/752934404.db2.gz GWQXEINJJYLUMR-HZPDHXFCSA-N 2 0 307.438 0.456 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001077978512 752938678 /nfs/dbraw/zinc/93/86/78/752938678.db2.gz FXQCQJPRMNIKOW-IAGOWNOFSA-N 2 0 319.449 0.293 20 30 DCEDRP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnccc2N(C)C)C1 ZINC001078017859 752984367 /nfs/dbraw/zinc/98/43/67/752984367.db2.gz AHEGBFCJDFWRHY-UKRRQHHQSA-N 2 0 304.394 0.499 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001168666964 753020908 /nfs/dbraw/zinc/02/09/08/753020908.db2.gz OFPUOBZZCGTLKJ-MRXNPFEDSA-N 2 0 324.469 0.198 20 30 DCEDRP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046077230 753468183 /nfs/dbraw/zinc/46/81/83/753468183.db2.gz SSJRSWUENVDUDW-MRXNPFEDSA-N 2 0 318.465 0.487 20 30 DCEDRP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046077726 753468685 /nfs/dbraw/zinc/46/86/85/753468685.db2.gz YDADATYTVRNNMY-IAGOWNOFSA-N 2 0 320.481 0.733 20 30 DCEDRP C=C(C)C[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046082471 753471788 /nfs/dbraw/zinc/47/17/88/753471788.db2.gz SDKVXLPVDFREFT-DLBZAZTESA-N 2 0 320.481 0.733 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081905 753472164 /nfs/dbraw/zinc/47/21/64/753472164.db2.gz LRLPFBFTIYOGBZ-IRXDYDNUSA-N 2 0 318.465 0.180 20 30 DCEDRP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046500713 753753342 /nfs/dbraw/zinc/75/33/42/753753342.db2.gz DAJOZJSIYNNGNZ-HTUOJYHCSA-N 2 0 305.422 0.616 20 30 DCEDRP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001047443011 754286611 /nfs/dbraw/zinc/28/66/11/754286611.db2.gz PPHWBRGHGZXUQP-GJZGRUSLSA-N 2 0 307.438 0.694 20 30 DCEDRP CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001047473498 754313284 /nfs/dbraw/zinc/31/32/84/754313284.db2.gz UBKNQWSYKBXUOQ-YESZJQIVSA-N 2 0 319.449 0.388 20 30 DCEDRP C=C(C)CN1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204947 754557710 /nfs/dbraw/zinc/55/77/10/754557710.db2.gz MYUULJBYSWUAAP-CABCVRRESA-N 2 0 320.441 0.538 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC#C)CC2)CC1 ZINC001052959724 755886001 /nfs/dbraw/zinc/88/60/01/755886001.db2.gz WYTIPXNGPKGKHG-QGZVFWFLSA-N 2 0 301.434 0.936 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717527 755977639 /nfs/dbraw/zinc/97/76/39/755977639.db2.gz MDDITSUULHTULA-GDBMZVCRSA-N 2 0 317.437 0.518 20 30 DCEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090392171 757352382 /nfs/dbraw/zinc/35/23/82/757352382.db2.gz QRUNPAAPNXSZQH-CABCVRRESA-N 2 0 307.438 0.742 20 30 DCEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084745266 758009839 /nfs/dbraw/zinc/00/98/39/758009839.db2.gz QHOAEFHPTQYNSW-GDBMZVCRSA-N 2 0 307.438 0.816 20 30 DCEDRP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001085781850 759304004 /nfs/dbraw/zinc/30/40/04/759304004.db2.gz HALMPDDGENPJJF-CVEARBPZSA-N 2 0 307.438 0.652 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341343 762866986 /nfs/dbraw/zinc/86/69/86/762866986.db2.gz AJYZMHOVIFWFIC-IJLUTSLNSA-N 2 0 303.328 0.550 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001086970860 768106093 /nfs/dbraw/zinc/10/60/93/768106093.db2.gz KSXLNSGPICQYLS-XHSDSOJGSA-N 2 0 317.437 0.584 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001099899597 763108792 /nfs/dbraw/zinc/10/87/92/763108792.db2.gz VQWQFMLGFYZISQ-CVEARBPZSA-N 2 0 318.421 0.645 20 30 DCEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123440 763143207 /nfs/dbraw/zinc/14/32/07/763143207.db2.gz RFHISTFECSGKDO-KFWWJZLASA-N 2 0 318.425 0.147 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100115988 763327133 /nfs/dbraw/zinc/32/71/33/763327133.db2.gz JFSNDSDFXKZLRC-IAGOWNOFSA-N 2 0 321.465 0.827 20 30 DCEDRP CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@H](C)O2 ZINC001131681695 763934404 /nfs/dbraw/zinc/93/44/04/763934404.db2.gz GPDHZGYXMHQPEO-RDJZCZTQSA-N 2 0 307.438 0.653 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CC#CCOC)C[C@@]2(C)C1 ZINC001101444104 764098528 /nfs/dbraw/zinc/09/85/28/764098528.db2.gz YVIHZKUNZFLERF-AEFFLSMTSA-N 2 0 321.465 0.758 20 30 DCEDRP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001098479014 764438076 /nfs/dbraw/zinc/43/80/76/764438076.db2.gz OBZFHFOLKJVILF-HOCLYGCPSA-N 2 0 307.438 0.103 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC#CCOC)C2 ZINC001111926955 765429196 /nfs/dbraw/zinc/42/91/96/765429196.db2.gz RAPMXQPKHFLDSZ-WMZOPIPTSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583980 765580662 /nfs/dbraw/zinc/58/06/62/765580662.db2.gz POPOQSXOJOIQHO-CABCVRRESA-N 2 0 309.454 0.993 20 30 DCEDRP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)C1 ZINC001118506514 766338023 /nfs/dbraw/zinc/33/80/23/766338023.db2.gz OOKHKEBYDRQFFX-SJORKVTESA-N 2 0 319.449 0.734 20 30 DCEDRP C#CCN1CC[C@H](NC(=O)Cn2ccnc2C(C)C)[C@H](O)C1 ZINC001090618037 766383191 /nfs/dbraw/zinc/38/31/91/766383191.db2.gz ZMWCRVLHPCRFLZ-UONOGXRCSA-N 2 0 304.394 0.191 20 30 DCEDRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)C[C@H]1C[NH+](C)C ZINC001119241360 766606926 /nfs/dbraw/zinc/60/69/26/766606926.db2.gz BTPSEOVRQGWPGQ-RBSFLKMASA-N 3 0 309.458 0.205 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)COCC[NH+](C)C)CCCCC1 ZINC001120005678 766881447 /nfs/dbraw/zinc/88/14/47/766881447.db2.gz URPZCAYFWDVSBL-UHFFFAOYSA-N 2 0 309.454 0.997 20 30 DCEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001091150811 766960609 /nfs/dbraw/zinc/96/06/09/766960609.db2.gz AAYGSDSLKVUAEJ-RDVIWEACSA-N 2 0 305.422 0.520 20 30 DCEDRP C#CC[NH+]1CCC(CCOC)(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001151308966 769310073 /nfs/dbraw/zinc/31/00/73/769310073.db2.gz ZEBHDRVQXLPQIP-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001151408854 769331935 /nfs/dbraw/zinc/33/19/35/769331935.db2.gz PRXNDJKNQLKIEO-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001152479116 769573504 /nfs/dbraw/zinc/57/35/04/769573504.db2.gz CBBHWLRBWKCQFE-MRXNPFEDSA-N 2 0 309.454 0.853 20 30 DCEDRP COCC#CC[NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001203349654 769743961 /nfs/dbraw/zinc/74/39/61/769743961.db2.gz UNVDUYIYZFEUIB-UHFFFAOYSA-N 2 0 305.422 0.313 20 30 DCEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001203349655 769744306 /nfs/dbraw/zinc/74/43/06/769744306.db2.gz UODFRMZPYVHOII-UHFFFAOYSA-N 2 0 303.834 0.898 20 30 DCEDRP N#Cc1cccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1Cl ZINC001235870474 769954736 /nfs/dbraw/zinc/95/47/36/769954736.db2.gz NJAQRZASTJWFKZ-UHFFFAOYSA-N 2 0 321.856 0.796 20 30 DCEDRP C#Cc1cccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001236312358 769995193 /nfs/dbraw/zinc/99/51/93/769995193.db2.gz QXDZDORYDLAERZ-UHFFFAOYSA-N 2 0 302.422 0.284 20 30 DCEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176169650 770040833 /nfs/dbraw/zinc/04/08/33/770040833.db2.gz NNBZCTZCCWXFCW-LBPRGKRZSA-N 2 0 303.834 0.803 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176992576 770282904 /nfs/dbraw/zinc/28/29/04/770282904.db2.gz UUUVVLMOIIBUEY-CABCVRRESA-N 2 0 324.469 0.647 20 30 DCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001178722795 770833914 /nfs/dbraw/zinc/83/39/14/770833914.db2.gz ZUELJCYRUADOCM-GJZGRUSLSA-N 2 0 317.437 0.661 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001180260042 771086880 /nfs/dbraw/zinc/08/68/80/771086880.db2.gz RFFQRQBYNJJSFZ-HNNXBMFYSA-N 2 0 324.469 0.507 20 30 DCEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001183044116 771595782 /nfs/dbraw/zinc/59/57/82/771595782.db2.gz CWTLQELUAWXSMP-UHFFFAOYSA-N 2 0 307.438 0.962 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158029833 771715533 /nfs/dbraw/zinc/71/55/33/771715533.db2.gz LKOAKOXUWVQIRE-GJZGRUSLSA-N 2 0 322.453 0.259 20 30 DCEDRP CC[NH+](CC)C[C@H](F)C(=O)NCCC[NH2+]CC#CCOC ZINC001159155331 771866993 /nfs/dbraw/zinc/86/69/93/771866993.db2.gz MTUXBUZVUQRQTM-AWEZNQCLSA-N 2 0 301.406 0.412 20 30 DCEDRP C=CCN1C(=O)CC[C@]12CCCN(C(=O)C[NH2+]CCC[NH3+])CC2 ZINC001159654076 771940338 /nfs/dbraw/zinc/94/03/38/771940338.db2.gz YPNQAWCEVWZCGK-KRWDZBQOSA-N 2 0 322.453 0.485 20 30 DCEDRP CC#CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159868515 771970907 /nfs/dbraw/zinc/97/09/07/771970907.db2.gz FPYKDMFKBLEZDO-INIZCTEOSA-N 2 0 307.438 0.749 20 30 DCEDRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001160840576 772120284 /nfs/dbraw/zinc/12/02/84/772120284.db2.gz XXZPQJMGAOUBFO-CVEARBPZSA-N 2 0 316.405 0.217 20 30 DCEDRP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161247032 772190213 /nfs/dbraw/zinc/19/02/13/772190213.db2.gz VCMKXSLJCDIFDO-HLLBOEOZSA-N 2 0 316.380 0.761 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001161407899 772218799 /nfs/dbraw/zinc/21/87/99/772218799.db2.gz PESTWMPYSLFWML-UHFFFAOYSA-N 2 0 318.421 0.654 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)[C@H](CC)[NH+](C)C)(COC)CC1 ZINC001162487670 772379861 /nfs/dbraw/zinc/37/98/61/772379861.db2.gz KLFQGGBMZPBCGX-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)C[N@@H+](C)CCC)(COC)CC1 ZINC001162586036 772394953 /nfs/dbraw/zinc/39/49/53/772394953.db2.gz YUVGIRDTMSQIRR-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001162611797 772398351 /nfs/dbraw/zinc/39/83/51/772398351.db2.gz POIWPHYWRQJBHJ-UHFFFAOYSA-N 2 0 315.377 0.346 20 30 DCEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872584 772428448 /nfs/dbraw/zinc/42/84/48/772428448.db2.gz XCZHOJFUEHIBIB-CKDBGZEDSA-N 2 0 307.438 0.912 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)C[N@H+]2CCC[C@H]2C)C1=O ZINC001166627062 772831452 /nfs/dbraw/zinc/83/14/52/772831452.db2.gz PALYLVTUWZJNQM-CABCVRRESA-N 2 0 322.453 0.354 20 30 DCEDRP COCC#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001206281567 773062099 /nfs/dbraw/zinc/06/20/99/773062099.db2.gz MGPBRQBCPSUGLR-DOTOQJQBSA-N 2 0 321.465 0.662 20 30 DCEDRP C=CCOCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001206928839 773137478 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322.453 0.209 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001196498579 773611155 /nfs/dbraw/zinc/61/11/55/773611155.db2.gz DLJLOVOEQQQMRM-RBSFLKMASA-N 2 0 306.410 0.962 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001209633358 773627412 /nfs/dbraw/zinc/62/74/12/773627412.db2.gz SWZHTSXFUQPLLN-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001210297158 773696362 /nfs/dbraw/zinc/69/63/62/773696362.db2.gz CFWNTUJLCMBXQT-BZUAXINKSA-N 2 0 307.438 0.415 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210673958 773728791 /nfs/dbraw/zinc/72/87/91/773728791.db2.gz KOVLBPCKAJGCMG-LSDHHAIUSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211090709 773769251 /nfs/dbraw/zinc/76/92/51/773769251.db2.gz LECWXOWDTFNLLQ-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP 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30 DCEDRP CC#CC[N@@H+](CCOC)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001323748478 947190301 /nfs/dbraw/zinc/19/03/01/947190301.db2.gz JHCBLHFJROVVRV-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCOCC1 ZINC001325037537 947619873 /nfs/dbraw/zinc/61/98/73/947619873.db2.gz PFHNCSDZFLDLNL-MRXNPFEDSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001325102615 947653882 /nfs/dbraw/zinc/65/38/82/947653882.db2.gz RQSTVYHVJWOOGS-GOEBONIOSA-N 2 0 313.417 0.243 20 30 DCEDRP C#CCCN1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001325235728 947719810 /nfs/dbraw/zinc/71/98/10/947719810.db2.gz AJMOQZQPADWDBP-HNNXBMFYSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CCCC[N@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001273541444 947947670 /nfs/dbraw/zinc/94/76/70/947947670.db2.gz BBHFUVCKWKBLLA-QGZVFWFLSA-N 2 0 305.422 0.803 20 30 DCEDRP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001325859142 947956359 /nfs/dbraw/zinc/95/63/59/947956359.db2.gz CDBOIGITDAABTG-GOSISDBHSA-N 2 0 323.481 0.931 20 30 DCEDRP C#CCN1CC[C@]2(CCC[N@H+]2CCCN2CC[NH+](C)CC2)C1=O ZINC001273728698 948051158 /nfs/dbraw/zinc/05/11/58/948051158.db2.gz WXYRWFPZVRZEEV-GOSISDBHSA-N 2 0 318.465 0.324 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)CCO1 ZINC001327078132 948388492 /nfs/dbraw/zinc/38/84/92/948388492.db2.gz CEJMQXMWQOXBAW-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001327565571 948552750 /nfs/dbraw/zinc/55/27/50/948552750.db2.gz VVRLJOWVDBQEQS-AEFFLSMTSA-N 2 0 321.465 0.847 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001273929706 948685992 /nfs/dbraw/zinc/68/59/92/948685992.db2.gz NAHACFBWQHRCHT-QGZVFWFLSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001264165184 948914644 /nfs/dbraw/zinc/91/46/44/948914644.db2.gz BASMIXVZOBPIOI-ZBFHGGJFSA-N 2 0 307.438 0.700 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1OCC ZINC001264526587 948994715 /nfs/dbraw/zinc/99/47/15/948994715.db2.gz BBSMTYUGHCSMOB-KLHDSHLOSA-N 2 0 309.454 0.966 20 30 DCEDRP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001264634184 949038458 /nfs/dbraw/zinc/03/84/58/949038458.db2.gz KVUMKPPSKRXWMU-QGZVFWFLSA-N 2 0 321.465 0.637 20 30 DCEDRP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)CCN1CCOCC1 ZINC001328764880 949078022 /nfs/dbraw/zinc/07/80/22/949078022.db2.gz FZZBVTPTBLTPIN-MRXNPFEDSA-N 2 0 307.438 0.655 20 30 DCEDRP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)Cc2cncn2C)C1 ZINC001489173204 949534600 /nfs/dbraw/zinc/53/46/00/949534600.db2.gz JJMIQNJULSKQCE-AWEZNQCLSA-N 2 0 306.410 0.434 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001490280510 950495213 /nfs/dbraw/zinc/49/52/13/950495213.db2.gz ZYQKHSOOZYMXEZ-UONOGXRCSA-N 2 0 310.442 0.067 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001490306056 950516903 /nfs/dbraw/zinc/51/69/03/950516903.db2.gz MVRLXQYRURIHRZ-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CCN1CC[NH+](CCCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001490469595 950711118 /nfs/dbraw/zinc/71/11/18/950711118.db2.gz FHFKBMWXUVGZCF-UHFFFAOYSA-N 2 0 320.481 0.618 20 30 DCEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001490611050 950947611 /nfs/dbraw/zinc/94/76/11/950947611.db2.gz QVYNOCBPGHCUOP-CVEARBPZSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CCO1 ZINC001280600332 950975467 /nfs/dbraw/zinc/97/54/67/950975467.db2.gz GQFUFDUIIKWHTI-CVEARBPZSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001332882511 951836977 /nfs/dbraw/zinc/83/69/77/951836977.db2.gz UGZHRKRITHONKQ-OAHLLOKOSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)CC#CCOC)CC1 ZINC001316870372 952397085 /nfs/dbraw/zinc/39/70/85/952397085.db2.gz NULWXAHUGJLKFW-UHFFFAOYSA-N 2 0 319.449 0.420 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001334873659 952406158 /nfs/dbraw/zinc/40/61/58/952406158.db2.gz JWKCZEISQCPWQQ-UHFFFAOYSA-N 2 0 306.414 0.521 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001340789080 953195502 /nfs/dbraw/zinc/19/55/02/953195502.db2.gz UFRABXWBAPAMPD-MRXNPFEDSA-N 2 0 308.470 0.908 20 30 DCEDRP C=CC[C@]1(C(=O)N2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)CCC[NH2+]1 ZINC001341662962 953243821 /nfs/dbraw/zinc/24/38/21/953243821.db2.gz HIFJYQUJLLCLMH-UWWPHRKUSA-N 2 0 321.421 0.424 20 30 DCEDRP CC[NH+]1CCN(CC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC001346183129 953818247 /nfs/dbraw/zinc/81/82/47/953818247.db2.gz YVTYDVOETRPRAO-MRXNPFEDSA-N 2 0 324.469 0.285 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC001346670763 953938836 /nfs/dbraw/zinc/93/88/36/953938836.db2.gz CUVVPCYIEVYXOY-CWRNSKLLSA-N 2 0 304.438 0.723 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC#CCOC)C1 ZINC001283041597 953947272 /nfs/dbraw/zinc/94/72/72/953947272.db2.gz BUWMCNHISYBWBY-BRWVUGGUSA-N 2 0 321.465 0.995 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCC[NH+]1CCC(O)CC1)C2 ZINC001349815949 954894531 /nfs/dbraw/zinc/89/45/31/954894531.db2.gz MAPLDKNCHHXJSG-XOYHFGRZSA-N 2 0 320.437 0.089 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC001284323149 955011444 /nfs/dbraw/zinc/01/14/44/955011444.db2.gz KYXFRWDTWHFYNM-MRXNPFEDSA-N 2 0 321.465 0.805 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001284417627 955074503 /nfs/dbraw/zinc/07/45/03/955074503.db2.gz WYOGDHIYTFMDRG-IAGOWNOFSA-N 2 0 321.465 0.826 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001284417626 955075130 /nfs/dbraw/zinc/07/51/30/955075130.db2.gz WYOGDHIYTFMDRG-DLBZAZTESA-N 2 0 321.465 0.826 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480305702 955671739 /nfs/dbraw/zinc/67/17/39/955671739.db2.gz VNBMFSREAYUMHD-MRXNPFEDSA-N 2 0 307.438 0.560 20 30 DCEDRP C=C(Br)C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC001367623589 958207709 /nfs/dbraw/zinc/20/77/09/958207709.db2.gz BSGFBMUPLULKFF-LLVKDONJSA-N 2 0 322.247 0.302 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001491682033 959042783 /nfs/dbraw/zinc/04/27/83/959042783.db2.gz ICLUPRLGIGSBGW-HZPDHXFCSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CCCN1CCO[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001495870333 959203505 /nfs/dbraw/zinc/20/35/05/959203505.db2.gz IVNLWDMNRYZHKC-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCOC)C2)CC1 ZINC001491855411 959309020 /nfs/dbraw/zinc/30/90/20/959309020.db2.gz HESSVFJKFODVRF-HNNXBMFYSA-N 2 0 307.438 0.416 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC#CCOC)C1 ZINC001491855912 959310107 /nfs/dbraw/zinc/31/01/07/959310107.db2.gz LUSAXZLQZZPAMX-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC#CCOC)C1 ZINC001491855915 959311556 /nfs/dbraw/zinc/31/15/56/959311556.db2.gz LUSAXZLQZZPAMX-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP CC(C)[C@H](CNC(=O)NCC#CC[NH+](C)C)[NH+]1CCN(C)CC1 ZINC001311535844 960252702 /nfs/dbraw/zinc/25/27/02/960252702.db2.gz KOVAMVPTMQCIOA-INIZCTEOSA-N 2 0 323.485 0.123 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001379204053 962358178 /nfs/dbraw/zinc/35/81/78/962358178.db2.gz BCDNNCUJVLUEAN-FRRDWIJNSA-N 2 0 303.834 0.536 20 30 DCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC001369349764 964798436 /nfs/dbraw/zinc/79/84/36/964798436.db2.gz FODIARMRNAEMRQ-HZPDHXFCSA-N 2 0 316.405 0.219 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)C1=O ZINC001507117811 1015998452 /nfs/dbraw/zinc/99/84/52/1015998452.db2.gz JAYJACSSQUGPFG-UONOGXRCSA-N 2 0 310.442 0.162 20 30 DCEDRP C#CCC[NH2+][C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001502745419 1016051913 /nfs/dbraw/zinc/05/19/13/1016051913.db2.gz UWYFDEURYJBDSV-ZBFHGGJFSA-N 2 0 317.437 0.518 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001502869975 1016110724 /nfs/dbraw/zinc/11/07/24/1016110724.db2.gz BXRCAZJGLISNKP-HUUCEWRRSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001507495902 1016412948 /nfs/dbraw/zinc/41/29/48/1016412948.db2.gz SXKPSWRHYQFDBO-MRXNPFEDSA-N 2 0 323.481 0.931 20 30 DCEDRP CC#CC[N@H+]1CC=C(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001508231092 1016729284 /nfs/dbraw/zinc/72/92/84/1016729284.db2.gz WDUHMLKNBNQVDW-INIZCTEOSA-N 2 0 319.449 0.726 20 30 DCEDRP N#Cc1ccc(C[NH2+]C[C@@H](O)CNC(=O)C[NH+]2CCCC2)s1 ZINC001439061922 1006424324 /nfs/dbraw/zinc/42/43/24/1006424324.db2.gz SXUKIZUENWNXPV-GFCCVEGCSA-N 2 0 322.434 0.282 20 30 DCEDRP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001441745540 1008485512 /nfs/dbraw/zinc/48/55/12/1008485512.db2.gz AOLKIAJOASGPCC-HOTGVXAUSA-N 2 0 318.421 0.465 20 30 DCEDRP CN(C[C@@H](O)C[NH2+]Cc1ccc(C#N)s1)C(=O)CC[NH+](C)C ZINC001423477870 1011176189 /nfs/dbraw/zinc/17/61/89/1011176189.db2.gz VTNIOFFVERZYBZ-LBPRGKRZSA-N 2 0 324.450 0.480 20 30 DCEDRP C=CCOCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001506624459 1017418331 /nfs/dbraw/zinc/41/83/31/1017418331.db2.gz UOLHWDYHBUTOAX-SQWLQELKSA-N 2 0 309.454 0.966 20 30 DCEDRP C#CCC[NH2+][C@H](C)[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001506843454 1017605323 /nfs/dbraw/zinc/60/53/23/1017605323.db2.gz LFXSKMZRBUDELU-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001499421149 1017923175 /nfs/dbraw/zinc/92/31/75/1017923175.db2.gz LXBCYZSQBOISNT-ZDUSSCGKSA-N 2 0 320.437 0.011 20 30 DCEDRP C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)C12CCC[NH+]1CCC2 ZINC001497623017 1018285024 /nfs/dbraw/zinc/28/50/24/1018285024.db2.gz JXOMYYAKQDDKEU-ONEGZZNKSA-N 2 0 320.437 0.179 20 30 DCEDRP C=CCOCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001500401489 1018440595 /nfs/dbraw/zinc/44/05/95/1018440595.db2.gz FYDCRDCBUAQAGP-RDJZCZTQSA-N 2 0 309.454 0.969 20 30 DCEDRP C=C(C)CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001501365207 1019098673 /nfs/dbraw/zinc/09/86/73/1019098673.db2.gz XIZOIGWCNGWXTH-NVXWUHKLSA-N 2 0 309.454 0.847 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496431331 1019307888 /nfs/dbraw/zinc/30/78/88/1019307888.db2.gz WEARAKSESQKARX-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001501608903 1019323043 /nfs/dbraw/zinc/32/30/43/1019323043.db2.gz UQTXLVIVJPJKDM-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001493719757 1019657906 /nfs/dbraw/zinc/65/79/06/1019657906.db2.gz HBXHQFPYGVQEDH-OAHLLOKOSA-N 2 0 324.469 0.601 20 30 DCEDRP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001494178899 1020050807 /nfs/dbraw/zinc/05/08/07/1020050807.db2.gz AQLZDFSHTDHBKE-CVEARBPZSA-N 2 0 309.454 0.921 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001662268750 1174194053 /nfs/dbraw/zinc/19/40/53/1174194053.db2.gz OQQRBXOABFVEMK-ZDUSSCGKSA-N 2 0 308.426 0.011 20 30 DCEDRP C[C@@H]1C[N@@H+](CCC2CCN(CC(=O)NCC#N)CC2)C[C@H](C)O1 ZINC000177484925 237215486 /nfs/dbraw/zinc/21/54/86/237215486.db2.gz PKEVWKJHGVGZBB-GASCZTMLSA-N 2 0 322.453 0.837 20 30 DCEDRP CN(C)C(=[NH+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)N(C)C ZINC000264086999 238189746 /nfs/dbraw/zinc/18/97/46/238189746.db2.gz JUMZEBQHFALJPV-UHFFFAOYSA-N 2 0 319.453 0.957 20 30 DCEDRP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2)C1 ZINC000598595235 397253373 /nfs/dbraw/zinc/25/33/73/397253373.db2.gz HFNSAOBPCHRIGM-HZPDHXFCSA-N 2 0 308.470 0.999 20 30 DCEDRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000341902072 416250466 /nfs/dbraw/zinc/25/04/66/416250466.db2.gz UCWMWGTWBRHWBQ-HNNXBMFYSA-N 2 0 310.442 0.649 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369398079 416769675 /nfs/dbraw/zinc/76/96/75/416769675.db2.gz LMHLGLRQAZAWQX-HZPDHXFCSA-N 2 0 308.470 0.777 20 30 DCEDRP C=CC[C@]1(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCC[NH2+]1 ZINC000662749565 417885578 /nfs/dbraw/zinc/88/55/78/417885578.db2.gz FAFYOHLCJMLRHM-NVXWUHKLSA-N 2 0 307.438 0.865 20 30 DCEDRP CC[NH+]=C(NCc1c(C)noc1C)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000179018709 273578484 /nfs/dbraw/zinc/57/84/84/273578484.db2.gz VZVBTZPZZHHTQX-CQSZACIVSA-N 2 0 320.441 0.346 20 30 DCEDRP COc1ccc(NC(=[NH2+])NC[C@H]2C[N@H+](C)CCN2C)cc1OC ZINC000267433909 533991800 /nfs/dbraw/zinc/99/18/00/533991800.db2.gz NIEGNRTXTJHXFC-ZDUSSCGKSA-N 2 0 321.425 0.676 20 30 DCEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261843714 526371584 /nfs/dbraw/zinc/37/15/84/526371584.db2.gz WWVIKNNAUJGKRU-DZGCQCFKSA-N 2 0 320.441 0.321 20 30 DCEDRP CNC(=O)C(C)(C)CNC(N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)=[NH+]C ZINC000261691951 526413199 /nfs/dbraw/zinc/41/31/99/526413199.db2.gz FGRNAHKYCAUBCE-DGCLKSJQSA-N 2 0 309.458 0.406 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368825933 527016320 /nfs/dbraw/zinc/01/63/20/527016320.db2.gz OWPCSXRTFPDXDI-MRXNPFEDSA-N 2 0 320.481 0.474 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(NC(C)=O)nc1 ZINC000278727049 529100255 /nfs/dbraw/zinc/10/02/55/529100255.db2.gz LCHUKZAOZHWRCI-AWEZNQCLSA-N 2 0 318.425 0.929 20 30 DCEDRP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC000978403359 660533845 /nfs/dbraw/zinc/53/38/45/660533845.db2.gz SGXNZAHKQRUYKM-PHZGNYQRSA-N 2 0 301.434 0.932 20 30 DCEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC000978482682 660544168 /nfs/dbraw/zinc/54/41/68/660544168.db2.gz JMWCKDIWJCDOIG-PHZGNYQRSA-N 2 0 321.384 0.808 20 30 DCEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001027694171 660626607 /nfs/dbraw/zinc/62/66/07/660626607.db2.gz SGCMFHIDBCUHRP-KRWDZBQOSA-N 2 0 301.434 0.888 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001027890321 660889519 /nfs/dbraw/zinc/88/95/19/660889519.db2.gz WYLWRSCLFYPUTP-OAHLLOKOSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)C[C@@H](C)O)C2)CC1 ZINC000980479409 660947433 /nfs/dbraw/zinc/94/74/33/660947433.db2.gz VTGXJFCAXBFETH-ZBFHGGJFSA-N 2 0 307.438 0.245 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001028093521 661152902 /nfs/dbraw/zinc/15/29/02/661152902.db2.gz MRKGKZFVFUGWGC-HZPDHXFCSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC000971673988 657549051 /nfs/dbraw/zinc/54/90/51/657549051.db2.gz MAULLAZGHIJBDZ-DLBZAZTESA-N 2 0 319.449 0.796 20 30 DCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC000971673991 657549419 /nfs/dbraw/zinc/54/94/19/657549419.db2.gz MAULLAZGHIJBDZ-SJORKVTESA-N 2 0 319.449 0.796 20 30 DCEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)N2CCOCC2)C1 ZINC000970764011 657894184 /nfs/dbraw/zinc/89/41/84/657894184.db2.gz XFWGAGAWERXUGR-CVEARBPZSA-N 2 0 307.438 0.864 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](CC#C)C2)CC1 ZINC001023761649 658216141 /nfs/dbraw/zinc/21/61/41/658216141.db2.gz FZRQZNRNCZHTQW-INIZCTEOSA-N 2 0 301.434 0.793 20 30 DCEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000970170220 658687740 /nfs/dbraw/zinc/68/77/40/658687740.db2.gz QJAJVTIODZKTIE-QBPRILJRSA-N 2 0 319.449 0.862 20 30 DCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000999351172 665634157 /nfs/dbraw/zinc/63/41/57/665634157.db2.gz DDERXRXLRFKJRI-WBVHZDCISA-N 2 0 319.449 0.844 20 30 DCEDRP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974724859 659642803 /nfs/dbraw/zinc/64/28/03/659642803.db2.gz QEUYZIMZVNWACX-KFWWJZLASA-N 2 0 307.438 0.555 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001028643733 661716129 /nfs/dbraw/zinc/71/61/29/661716129.db2.gz RJTNCAZZLPSKNE-CABCVRRESA-N 2 0 300.406 0.907 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001028859659 661854305 /nfs/dbraw/zinc/85/43/05/661854305.db2.gz FFIHHLDSOXTZDK-OAHLLOKOSA-N 2 0 317.437 0.520 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]([C@H](C)COC)C2)CC1 ZINC001029002872 661929918 /nfs/dbraw/zinc/92/99/18/661929918.db2.gz CWKIAJWPCGSPMF-CVEARBPZSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000989542940 662957107 /nfs/dbraw/zinc/95/71/07/662957107.db2.gz JQUXIASKOZJBPG-ZFWWWQNUSA-N 2 0 303.410 0.271 20 30 DCEDRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC000905520261 663563005 /nfs/dbraw/zinc/56/30/05/663563005.db2.gz YQPJQMHHXISNSM-OAHLLOKOSA-N 2 0 306.385 0.395 20 30 DCEDRP C#CCN1CCC[C@@H](NC(=S)NCC2CC[NH+](C)CC2)C1 ZINC000905570861 663565204 /nfs/dbraw/zinc/56/52/04/663565204.db2.gz LTOUDVAQHQJEGK-OAHLLOKOSA-N 2 0 308.495 0.890 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC000911236248 664008914 /nfs/dbraw/zinc/00/89/14/664008914.db2.gz NWNAWJBIGFEECZ-KRWDZBQOSA-N 2 0 320.437 0.108 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCCCCO)CC2)CC1 ZINC000913690395 664713253 /nfs/dbraw/zinc/71/32/53/664713253.db2.gz FQEZRJWKXSAQLO-UHFFFAOYSA-N 2 0 321.465 0.638 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CC3CCOCC3)C2)CC1 ZINC001031434826 665149247 /nfs/dbraw/zinc/14/92/47/665149247.db2.gz GXDJWDLNUHUUAJ-UHFFFAOYSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001032837135 666289139 /nfs/dbraw/zinc/28/91/39/666289139.db2.gz IEYDOZTVDGGHCP-XHSDSOJGSA-N 2 0 305.422 0.311 20 30 DCEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779118 666650971 /nfs/dbraw/zinc/65/09/71/666650971.db2.gz GWIWBQAKACXPAV-WCXIOVBPSA-N 2 0 303.450 0.988 20 30 DCEDRP C[C@H]1CCC[N@H+](CCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884188214 667493549 /nfs/dbraw/zinc/49/35/49/667493549.db2.gz BSLXHSTXBRTDRS-BOLLXYOYSA-N 2 0 304.438 0.974 20 30 DCEDRP C[NH+](C)[C@@]1(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CCSC1 ZINC000884191739 667494167 /nfs/dbraw/zinc/49/41/67/667494167.db2.gz LTJDHGLKUTYYGH-QFXNTCPOSA-N 2 0 322.478 0.679 20 30 DCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)C2 ZINC000884432821 667543758 /nfs/dbraw/zinc/54/37/58/667543758.db2.gz QOXSHAZPHVOZKZ-MYTOGIIISA-N 2 0 324.428 0.998 20 30 DCEDRP C#Cc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cn1 ZINC000870021443 667698840 /nfs/dbraw/zinc/69/88/40/667698840.db2.gz FNWUDKHNVUFXMC-HZPDHXFCSA-N 2 0 314.433 0.874 20 30 DCEDRP CC1(C)[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925603130 668334061 /nfs/dbraw/zinc/33/40/61/668334061.db2.gz IAMXNKKSBOIBSW-DDXBZCLVSA-N 2 0 318.421 0.879 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](C)N(C)C(=O)C(=C)C[NH+](C)C ZINC000764507598 668451326 /nfs/dbraw/zinc/45/13/26/668451326.db2.gz QKRCUKZKYJKQKZ-AWEZNQCLSA-N 2 0 310.442 0.185 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000876783573 668510712 /nfs/dbraw/zinc/51/07/12/668510712.db2.gz HFZXCHVYBOOQDI-ZIAGYGMSSA-N 2 0 314.861 0.695 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000876802122 668513836 /nfs/dbraw/zinc/51/38/36/668513836.db2.gz LTOHCWTZEANYPE-YUSALJHKSA-N 2 0 312.295 0.933 20 30 DCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000876869310 668524226 /nfs/dbraw/zinc/52/42/26/668524226.db2.gz DMWWYIQKEOFIKW-HOCLYGCPSA-N 2 0 314.389 0.240 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCO)[C@H](C)C2)CC1 ZINC000948070568 670053649 /nfs/dbraw/zinc/05/36/49/670053649.db2.gz QRJAEHBRBZAGKG-ZBFHGGJFSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCO2 ZINC000949182223 670281899 /nfs/dbraw/zinc/28/18/99/670281899.db2.gz HDVNIWCIJSFEMS-MRXNPFEDSA-N 2 0 321.465 0.899 20 30 DCEDRP C#CCN1CCOC2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000949472621 670349611 /nfs/dbraw/zinc/34/96/11/670349611.db2.gz JOIQYFRGCGBYFB-MRXNPFEDSA-N 2 0 319.449 0.797 20 30 DCEDRP C#CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000819304482 671109480 /nfs/dbraw/zinc/10/94/80/671109480.db2.gz GPXRPLZJIVMWIP-RTBURBONSA-N 2 0 315.461 0.819 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000852858350 671176219 /nfs/dbraw/zinc/17/62/19/671176219.db2.gz ZQQIFRLGFIECPW-QGZVFWFLSA-N 2 0 319.449 0.749 20 30 DCEDRP CC[NH+]1CCN([C@H](C)CNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852872303 671181619 /nfs/dbraw/zinc/18/16/19/671181619.db2.gz DKPMBTVQXVAIEN-OAHLLOKOSA-N 2 0 306.454 0.132 20 30 DCEDRP C#CC[C@@H]1CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000842627626 672022763 /nfs/dbraw/zinc/02/27/63/672022763.db2.gz LCLLIJKKOGDSBZ-CQSZACIVSA-N 2 0 318.421 0.695 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CCC([NH+](C)C)CC1 ZINC000304675302 685210797 /nfs/dbraw/zinc/21/07/97/685210797.db2.gz CWHUMUPMMUSYBH-MRXNPFEDSA-N 3 0 324.517 0.401 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NCCCN1CCOCC1 ZINC000304760490 685211838 /nfs/dbraw/zinc/21/18/38/685211838.db2.gz SLYBHDBQQWQNFZ-HNNXBMFYSA-N 2 0 311.474 0.487 20 30 DCEDRP C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000958118004 687359131 /nfs/dbraw/zinc/35/91/31/687359131.db2.gz YAFJZWYHZMURFE-UONOGXRCSA-N 2 0 321.446 0.465 20 30 DCEDRP CC#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958222510 687454623 /nfs/dbraw/zinc/45/46/23/687454623.db2.gz FANAXUIAQPVFHD-GOEBONIOSA-N 2 0 312.373 0.380 20 30 DCEDRP C=CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC000958344728 687564606 /nfs/dbraw/zinc/56/46/06/687564606.db2.gz JLFLGRMVMXCMMX-KBPBESRZSA-N 2 0 307.394 0.550 20 30 DCEDRP C=CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000958580321 687767223 /nfs/dbraw/zinc/76/72/23/687767223.db2.gz FJTCNNZYMBDZMA-SJORKVTESA-N 2 0 321.465 0.703 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](C(C)C)C[C@@H]2O)CC1 ZINC000958722876 687875737 /nfs/dbraw/zinc/87/57/37/687875737.db2.gz ARMGPMYGEYUSMZ-HOTGVXAUSA-N 2 0 307.438 0.149 20 30 DCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC000960530336 688405757 /nfs/dbraw/zinc/40/57/57/688405757.db2.gz XZCPOARZRCWJSX-ZSHCYNCHSA-N 2 0 301.434 0.932 20 30 DCEDRP C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001038810597 694198830 /nfs/dbraw/zinc/19/88/30/694198830.db2.gz PYQBCPGXSARJMW-OAHLLOKOSA-N 2 0 305.426 0.825 20 30 DCEDRP C#CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001001424691 690544616 /nfs/dbraw/zinc/54/46/16/690544616.db2.gz KVBSCARVVXIBMV-IAGOWNOFSA-N 2 0 319.449 0.701 20 30 DCEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014457380 692023969 /nfs/dbraw/zinc/02/39/69/692023969.db2.gz GYHDOCLXBMVJJU-AWEZNQCLSA-N 2 0 305.426 0.825 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1=O ZINC001019032148 693329271 /nfs/dbraw/zinc/32/92/71/693329271.db2.gz IOZBJFZEAPLCOO-RRFJBIMHSA-N 2 0 322.453 0.304 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]C[C@@H]3CCOC3)C2)CC1 ZINC001019816321 693596468 /nfs/dbraw/zinc/59/64/68/693596468.db2.gz XHQDDFBAFGRQMN-RDJZCZTQSA-N 2 0 319.449 0.559 20 30 DCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001072741085 694659253 /nfs/dbraw/zinc/65/92/53/694659253.db2.gz WYIKTAFALROYGX-MRXNPFEDSA-N 2 0 301.434 0.886 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001073746494 694776462 /nfs/dbraw/zinc/77/64/62/694776462.db2.gz ZMVYHGDTWTVSKE-ULQDDVLXSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCC)CCCO2)CC1 ZINC001073899301 694798646 /nfs/dbraw/zinc/79/86/46/694798646.db2.gz QAOKGASAPXYHET-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070458 694996950 /nfs/dbraw/zinc/99/69/50/694996950.db2.gz KHRCPBJLQJFAHL-HNCZQISISA-N 2 0 315.417 0.016 20 30 DCEDRP C=CCCC[NH2+]CC1(O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001570427434 1162513904 /nfs/dbraw/zinc/51/39/04/1162513904.db2.gz YAYAZVLOSNNRJI-UHFFFAOYSA-N 2 0 309.454 0.992 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001571117618 1162674993 /nfs/dbraw/zinc/67/49/93/1162674993.db2.gz GNWVQWKWHCYNKT-BRWVUGGUSA-N 2 0 321.465 0.993 20 30 DCEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001571594116 1162837752 /nfs/dbraw/zinc/83/77/52/1162837752.db2.gz TYIMGQUMLSCCIK-INIZCTEOSA-N 2 0 309.454 0.703 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001691794622 1157396948 /nfs/dbraw/zinc/39/69/48/1157396948.db2.gz JNZALESVDOJGPL-RBSFLKMASA-N 2 0 322.453 0.257 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]C[C@H]2CCCOC2)CC1 ZINC001772517044 1157408720 /nfs/dbraw/zinc/40/87/20/1157408720.db2.gz JXZHYMSTFFNVNJ-JKSUJKDBSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CCCOC)CC1 ZINC001725523600 1157751144 /nfs/dbraw/zinc/75/11/44/1157751144.db2.gz MGAJOXWJOPIEMT-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001755018626 1157906903 /nfs/dbraw/zinc/90/69/03/1157906903.db2.gz VXLLFMGBWOXGJW-INIZCTEOSA-N 2 0 307.438 0.703 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CCO1 ZINC001755017698 1157908211 /nfs/dbraw/zinc/90/82/11/1157908211.db2.gz NTZIEKYLNILGDF-CVEARBPZSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001672503305 1157957359 /nfs/dbraw/zinc/95/73/59/1157957359.db2.gz JNAZRKFGDBPZKB-WBVHZDCISA-N 2 0 309.454 0.847 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2conc2C)CC1 ZINC001691619693 1158360559 /nfs/dbraw/zinc/36/05/59/1158360559.db2.gz WRAPPPIWZZYURN-UHFFFAOYSA-N 2 0 318.421 0.876 20 30 DCEDRP C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001672686411 1158726029 /nfs/dbraw/zinc/72/60/29/1158726029.db2.gz POWVDWXKUHAYJO-MRXNPFEDSA-N 2 0 309.454 0.683 20 30 DCEDRP C=C(C)CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001566648470 1159844477 /nfs/dbraw/zinc/84/44/77/1159844477.db2.gz MFXGXJHNVXVLHE-MRXNPFEDSA-N 2 0 308.470 0.781 20 30 DCEDRP CC#CCN1CC[NH+](CCCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001566640893 1160106936 /nfs/dbraw/zinc/10/69/36/1160106936.db2.gz VVXOUCVCQVIRPI-MRXNPFEDSA-N 2 0 308.470 0.474 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH2+]CCOC)C2)CC1 ZINC001566913390 1160181963 /nfs/dbraw/zinc/18/19/63/1160181963.db2.gz OXMVBQKWGQLRDV-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567402697 1160351224 /nfs/dbraw/zinc/35/12/24/1160351224.db2.gz GRSLUTMNRUEOJN-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001567494717 1160394202 /nfs/dbraw/zinc/39/42/02/1160394202.db2.gz MEGFQCNXUZZUFV-HUUCEWRRSA-N 2 0 322.453 0.045 20 30 DCEDRP C#CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](CC#C)CC1 ZINC001569587428 1161157332 /nfs/dbraw/zinc/15/73/32/1161157332.db2.gz SWRCNGMQYRDKIZ-SFHVURJKSA-N 2 0 313.445 0.888 20 30 DCEDRP C=C(C)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001569748787 1161220462 /nfs/dbraw/zinc/22/04/62/1161220462.db2.gz IWGYJVZTSIMOGR-ZMSDIMECSA-N 2 0 309.454 0.846 20 30 DCEDRP C=CCCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001569749236 1161221970 /nfs/dbraw/zinc/22/19/70/1161221970.db2.gz RFLMGDRPOSGUDS-AEFFLSMTSA-N 2 0 321.465 0.847 20 30 DCEDRP C=C(C)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001569751042 1161222665 /nfs/dbraw/zinc/22/26/65/1161222665.db2.gz JMHAHJLTDOYGLG-DOTOQJQBSA-N 2 0 309.454 0.990 20 30 DCEDRP C=C(C)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001569751045 1161222909 /nfs/dbraw/zinc/22/29/09/1161222909.db2.gz JMHAHJLTDOYGLG-WBVHZDCISA-N 2 0 309.454 0.990 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC#CCOC)C1 ZINC001569851225 1161284950 /nfs/dbraw/zinc/28/49/50/1161284950.db2.gz RUVMQQRGRPAGLI-CVEARBPZSA-N 2 0 309.454 0.662 20 30 DCEDRP CC#CCN1CCC[C@@](CO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001569899905 1161304262 /nfs/dbraw/zinc/30/42/62/1161304262.db2.gz DMJTZJNOKKWARD-DOTOQJQBSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[N@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001570216807 1161497825 /nfs/dbraw/zinc/49/78/25/1161497825.db2.gz KRPZRLLCJXZHRS-OAHLLOKOSA-N 2 0 322.453 0.000 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC001574674109 1163738524 /nfs/dbraw/zinc/73/85/24/1163738524.db2.gz VHJHAGAFPYWFKR-STQMWFEESA-N 2 0 317.355 0.927 20 30 DCEDRP C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001574830291 1163762297 /nfs/dbraw/zinc/76/22/97/1163762297.db2.gz DVCFLRKCBSVGQR-HOCLYGCPSA-N 2 0 319.453 0.936 20 30 DCEDRP C=CC[C@H](C(=O)OC)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001574890014 1163787335 /nfs/dbraw/zinc/78/73/35/1163787335.db2.gz VZEPNEMXTBEIDS-SOUVJXGZSA-N 2 0 323.437 0.684 20 30 DCEDRP CC#CC[C@@H]([NH3+])C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001574962344 1163821583 /nfs/dbraw/zinc/82/15/83/1163821583.db2.gz JVQXVFFJYRTZCN-QGZVFWFLSA-N 2 0 320.481 0.744 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001629932432 1171560554 /nfs/dbraw/zinc/56/05/54/1171560554.db2.gz FTBLYHBCCDZKBA-UHFFFAOYSA-N 2 0 324.469 0.017 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001646799703 1172539652 /nfs/dbraw/zinc/53/96/52/1172539652.db2.gz WVHUQRWUITWLRF-VXGBXAGGSA-N 2 0 301.818 0.813 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)CCO1 ZINC001673278516 1173921659 /nfs/dbraw/zinc/92/16/59/1173921659.db2.gz KCFWCTVCEIJYDO-HUUCEWRRSA-N 2 0 313.417 0.507 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001660922023 1174070115 /nfs/dbraw/zinc/07/01/15/1174070115.db2.gz XBLJXHGSQXREBS-QGZVFWFLSA-N 2 0 320.481 0.616 20 30 DCEDRP C#CCC[NH2+][C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001661192368 1174105461 /nfs/dbraw/zinc/10/54/61/1174105461.db2.gz BBRBPDLXRMLILB-GDBMZVCRSA-N 2 0 307.438 0.462 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001662872418 1174249095 /nfs/dbraw/zinc/24/90/95/1174249095.db2.gz MQDHGGYZBAGHRZ-CVEARBPZSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]C[C@@H]2CCOC2)CC1 ZINC001663014272 1174257877 /nfs/dbraw/zinc/25/78/77/1174257877.db2.gz QFTNUGCZAYNXSY-CVEARBPZSA-N 2 0 321.465 0.853 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001663620971 1174334875 /nfs/dbraw/zinc/33/48/75/1174334875.db2.gz SUPQUWDUJOGOCM-LSDHHAIUSA-N 2 0 322.453 0.069 20 30 DCEDRP COCC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001664036129 1174387088 /nfs/dbraw/zinc/38/70/88/1174387088.db2.gz CQZRBCCPHNAANQ-INIZCTEOSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CCN1CCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001665023057 1174473477 /nfs/dbraw/zinc/47/34/77/1174473477.db2.gz GEPCIGNRQGSMRI-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001669703213 1174944995 /nfs/dbraw/zinc/94/49/95/1174944995.db2.gz QSPIJZLGMSCPTO-AWEZNQCLSA-N 2 0 324.469 0.503 20 30 DCEDRP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCOCC1 ZINC001671934925 1175045494 /nfs/dbraw/zinc/04/54/94/1175045494.db2.gz OLXHVSMNXODZCF-CHWSQXEVSA-N 2 0 304.394 0.954 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCOCC1 ZINC001671934880 1175045849 /nfs/dbraw/zinc/04/58/49/1175045849.db2.gz MGSZHEFTGLIEJI-OAHLLOKOSA-N 2 0 307.438 0.749 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@@H+](CCC)C2)CC1 ZINC001672043999 1175070746 /nfs/dbraw/zinc/07/07/46/1175070746.db2.gz FJHHCQSYABMJLE-KRWDZBQOSA-N 2 0 307.438 0.295 20 30 DCEDRP C=CC[NH2+]C1CCN(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001672456181 1175110131 /nfs/dbraw/zinc/11/01/31/1175110131.db2.gz XENFZIFZQPGGLN-UHFFFAOYSA-N 2 0 308.470 0.827 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CCO1 ZINC001673342891 1175193515 /nfs/dbraw/zinc/19/35/15/1175193515.db2.gz SCTBMWAAQICZJS-INIZCTEOSA-N 2 0 307.438 0.703 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCN2CCOCC2)C(C)(C)C1 ZINC001674029027 1175245955 /nfs/dbraw/zinc/24/59/55/1175245955.db2.gz OFAOKTYNQPRGKT-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCOCC[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001675360410 1175351538 /nfs/dbraw/zinc/35/15/38/1175351538.db2.gz YKYPAPWHMDEHIJ-GJZGRUSLSA-N 2 0 309.454 0.967 20 30 DCEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001677115911 1175529368 /nfs/dbraw/zinc/52/93/68/1175529368.db2.gz ATXVMVMXWAYLED-CJNGLKHVSA-N 2 0 315.433 0.794 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001677399848 1175562708 /nfs/dbraw/zinc/56/27/08/1175562708.db2.gz WOAUKUCAGGLPGG-XSCHDIRWSA-N 2 0 322.453 0.208 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001690336686 1177216506 /nfs/dbraw/zinc/21/65/06/1177216506.db2.gz OHTFURNHDDTEQI-QLFBSQMISA-N 2 0 322.453 0.398 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001690628450 1177286487 /nfs/dbraw/zinc/28/64/87/1177286487.db2.gz NBWPBLJADJNLSQ-CVEARBPZSA-N 2 0 309.454 0.993 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001690822665 1177333634 /nfs/dbraw/zinc/33/36/34/1177333634.db2.gz KOHYRIKQCUYJJG-IRXDYDNUSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCOCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699442011 1178139449 /nfs/dbraw/zinc/13/94/49/1178139449.db2.gz NQWJMEDWCMNBLD-GOEBONIOSA-N 2 0 309.454 0.967 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001699654664 1178241070 /nfs/dbraw/zinc/24/10/70/1178241070.db2.gz CCBNDESYYIROAB-HOTGVXAUSA-N 2 0 319.449 0.892 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCOCC1 ZINC001699885568 1178332874 /nfs/dbraw/zinc/33/28/74/1178332874.db2.gz KABYBOMFHQEGAO-UHFFFAOYSA-N 2 0 321.465 0.997 20 30 DCEDRP C=C(C)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001699898492 1178348647 /nfs/dbraw/zinc/34/86/47/1178348647.db2.gz OBYOFCJSZIEWRS-NVXWUHKLSA-N 2 0 309.454 0.988 20 30 DCEDRP C=CCC[C@H](C)[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001699923881 1178383293 /nfs/dbraw/zinc/38/32/93/1178383293.db2.gz RWJWBGXUIPAXGM-GJZGRUSLSA-N 2 0 309.454 0.846 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001699989977 1178409322 /nfs/dbraw/zinc/40/93/22/1178409322.db2.gz RVFBLXAKQHUJAV-KFWWJZLASA-N 2 0 322.453 0.019 20 30 DCEDRP C=CCOCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001700089080 1178474391 /nfs/dbraw/zinc/47/43/91/1178474391.db2.gz TYVSMUJKXXYZES-HOTGVXAUSA-N 2 0 309.454 0.969 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001700239083 1178547651 /nfs/dbraw/zinc/54/76/51/1178547651.db2.gz JUMXRRMJQYPMOI-GOSISDBHSA-N 2 0 321.465 0.827 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001700278158 1178564704 /nfs/dbraw/zinc/56/47/04/1178564704.db2.gz NVNMUPZZHXVESV-KGLIPLIRSA-N 2 0 310.442 0.065 20 30 DCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001700307471 1178575820 /nfs/dbraw/zinc/57/58/20/1178575820.db2.gz KSLXXVHHWLDACQ-UHFFFAOYSA-N 2 0 309.454 0.847 20 30 DCEDRP CC#CC[NH2+]C1CC(N(C)C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001701019518 1178878661 /nfs/dbraw/zinc/87/86/61/1178878661.db2.gz JSKTVFNKBSESME-UHFFFAOYSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001707266891 1180453210 /nfs/dbraw/zinc/45/32/10/1180453210.db2.gz RJNKSOJBWXMFHR-XHSDSOJGSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001713098885 1180681518 /nfs/dbraw/zinc/68/15/18/1180681518.db2.gz XPQIMFWQHIWHTQ-INIZCTEOSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001714094671 1181240629 /nfs/dbraw/zinc/24/06/29/1181240629.db2.gz QEZQFIFIQKQLJN-HZPDHXFCSA-N 2 0 307.438 0.416 20 30 DCEDRP C=CCCC[N@@H+]1CCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001714480885 1181385663 /nfs/dbraw/zinc/38/56/63/1181385663.db2.gz BYFHQFHTFMVVSV-OAHLLOKOSA-N 2 0 307.438 0.865 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@H+](C)CCO)C2)CC1 ZINC001714909921 1181597992 /nfs/dbraw/zinc/59/79/92/1181597992.db2.gz SNTBTUPJMWWJME-OAHLLOKOSA-N 2 0 307.438 0.104 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CCO)cc1 ZINC001715196318 1181713308 /nfs/dbraw/zinc/71/33/08/1181713308.db2.gz WTRFOFGIQQYFDP-KRWDZBQOSA-N 2 0 315.417 0.482 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001715265519 1181742844 /nfs/dbraw/zinc/74/28/44/1181742844.db2.gz VCVLJOHMURFMOB-INIZCTEOSA-N 2 0 309.454 0.710 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001716095464 1182187581 /nfs/dbraw/zinc/18/75/81/1182187581.db2.gz AUHVGXWUFYUNSZ-HNNXBMFYSA-N 2 0 309.454 0.589 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001716921006 1182577022 /nfs/dbraw/zinc/57/70/22/1182577022.db2.gz IJPOOSRGQDWJSA-MRXNPFEDSA-N 2 0 307.438 0.744 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCCOC)C[C@@H]2C1 ZINC001717010886 1182621027 /nfs/dbraw/zinc/62/10/27/1182621027.db2.gz UCHGQLXOOGVUSX-BBWFWOEESA-N 2 0 319.449 0.511 20 30 DCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001717350585 1182795262 /nfs/dbraw/zinc/79/52/62/1182795262.db2.gz JEFARTOZGWAFBQ-INIZCTEOSA-N 2 0 319.449 0.295 20 30 DCEDRP CC#CC[N@H+](C)CCOCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001717709860 1182961941 /nfs/dbraw/zinc/96/19/41/1182961941.db2.gz AIZDXWSHSYRTQA-INIZCTEOSA-N 2 0 307.438 0.416 20 30 DCEDRP C=C(C)C[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001717780211 1182996865 /nfs/dbraw/zinc/99/68/65/1182996865.db2.gz FFKANKRTSUPGGJ-MRXNPFEDSA-N 2 0 309.454 0.751 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCC)CC1 ZINC001717944482 1183084619 /nfs/dbraw/zinc/08/46/19/1183084619.db2.gz LFDVDBMSDSQHRZ-KRWDZBQOSA-N 2 0 323.481 0.883 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001723063741 1184258288 /nfs/dbraw/zinc/25/82/88/1184258288.db2.gz RFFIGNGXLGQYET-UHFFFAOYSA-N 2 0 322.453 0.355 20 30 DCEDRP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCCO)CC1 ZINC001724064326 1184375053 /nfs/dbraw/zinc/37/50/53/1184375053.db2.gz CROUKZLHSNRVTA-OAHLLOKOSA-N 2 0 307.438 0.247 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001724401193 1184432348 /nfs/dbraw/zinc/43/23/48/1184432348.db2.gz IZGHMFAMBFXFDM-GOSISDBHSA-N 2 0 319.449 0.439 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC(C)(C)C[NH2+]CCCO)CC1 ZINC001725145697 1184694390 /nfs/dbraw/zinc/69/43/90/1184694390.db2.gz BPLXRJUSRJBEGR-UHFFFAOYSA-N 2 0 323.481 0.788 20 30 DCEDRP C#CCC[NH+](C)CCOCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001725438542 1184826536 /nfs/dbraw/zinc/82/65/36/1184826536.db2.gz VWOQGHKIJVDDHW-HOTGVXAUSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCC[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001725716041 1184965380 /nfs/dbraw/zinc/96/53/80/1184965380.db2.gz VQRGELSPEAQJDU-HUUCEWRRSA-N 2 0 309.454 0.846 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001731424657 1185326220 /nfs/dbraw/zinc/32/62/20/1185326220.db2.gz JRUXSAXUACERQQ-SJORKVTESA-N 2 0 321.465 0.758 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001731700196 1185448995 /nfs/dbraw/zinc/44/89/95/1185448995.db2.gz QICXEQVPZREEKC-HUUCEWRRSA-N 2 0 322.453 0.095 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001731849878 1185527734 /nfs/dbraw/zinc/52/77/34/1185527734.db2.gz USZNNADMOUKNDT-HNNXBMFYSA-N 2 0 307.438 0.416 20 30 DCEDRP C=CCC[NH+]1CCN(CCN(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001732064799 1185656388 /nfs/dbraw/zinc/65/63/88/1185656388.db2.gz BGDREPPGBYDNLA-UHFFFAOYSA-N 2 0 322.497 0.980 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CC[C@H](C)NC(=O)C[NH+]2CCCC2)C1=O ZINC001732755341 1185950878 /nfs/dbraw/zinc/95/08/78/1185950878.db2.gz XSRQXFQUEFALKN-LSDHHAIUSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CC[N@@H+](CCOC)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001733280323 1186209887 /nfs/dbraw/zinc/20/98/87/1186209887.db2.gz HDZAWUUHFNPXMQ-UHFFFAOYSA-N 2 0 309.454 0.899 20 30 DCEDRP C#CC[NH+]1CC[C@H](N2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001733398696 1186252935 /nfs/dbraw/zinc/25/29/35/1186252935.db2.gz LXSXZBYPOCSPDH-INIZCTEOSA-N 2 0 306.454 0.180 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001733533226 1186325078 /nfs/dbraw/zinc/32/50/78/1186325078.db2.gz IQNLHTWYTJWTHP-HOTGVXAUSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001734424900 1186650010 /nfs/dbraw/zinc/65/00/10/1186650010.db2.gz LUULYTIXZBOYNK-ZBFHGGJFSA-N 2 0 317.437 0.661 20 30 DCEDRP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001734546385 1186688375 /nfs/dbraw/zinc/68/83/75/1186688375.db2.gz KFHKZRZJXNVEHG-KRWDZBQOSA-N 2 0 317.433 0.746 20 30 DCEDRP CC#CC[NH2+]C1CC(N(C)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001734602516 1186699761 /nfs/dbraw/zinc/69/97/61/1186699761.db2.gz GCXHODHKFIJNNR-QQFBHYJXSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001752605014 1188428497 /nfs/dbraw/zinc/42/84/97/1188428497.db2.gz LZQRAWOIGGNUKB-ZFWWWQNUSA-N 2 0 322.453 0.209 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001752782751 1188440794 /nfs/dbraw/zinc/44/07/94/1188440794.db2.gz APWFATURGOCOEY-IXDOHACOSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001752801226 1188443015 /nfs/dbraw/zinc/44/30/15/1188443015.db2.gz JBESZPGAGGUNSD-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001753345066 1188569903 /nfs/dbraw/zinc/56/99/03/1188569903.db2.gz CEMNZUYYSNNPKX-GJZGRUSLSA-N 2 0 322.453 0.163 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001753628815 1188626833 /nfs/dbraw/zinc/62/68/33/1188626833.db2.gz FHSNJLRTVHHDTP-ZIAGYGMSSA-N 2 0 324.469 0.361 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@H](C)[NH2+]CCO)C2)CC1 ZINC001753800976 1188656601 /nfs/dbraw/zinc/65/66/01/1188656601.db2.gz HYVHGLJLMLZHAI-RDJZCZTQSA-N 2 0 321.465 0.541 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001753828900 1188660274 /nfs/dbraw/zinc/66/02/74/1188660274.db2.gz GZSZFNZOPSSXLB-IAGOWNOFSA-N 2 0 321.465 0.708 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]C[C@@H](C)O)C(C)C)CC1 ZINC001753846137 1188663670 /nfs/dbraw/zinc/66/36/70/1188663670.db2.gz ZQERUJVVNMJFJT-ZBFHGGJFSA-N 2 0 309.454 0.443 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001755154158 1189038741 /nfs/dbraw/zinc/03/87/41/1189038741.db2.gz FDCYAJKNDUZVMJ-INIZCTEOSA-N 2 0 321.465 0.826 20 30 DCEDRP C=C(Br)C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127474522 751412589 /nfs/dbraw/zinc/41/25/89/751412589.db2.gz NEMYWNQZVJQEGO-GFCCVEGCSA-N 2 0 316.243 0.943 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127706544 751712822 /nfs/dbraw/zinc/71/28/22/751712822.db2.gz MNPBUFGEXNRYID-HZSPNIEDSA-N 2 0 310.442 0.113 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609279 752148262 /nfs/dbraw/zinc/14/82/62/752148262.db2.gz MIYRCAQFIZHPSS-SJLPKXTDSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001167626709 747436188 /nfs/dbraw/zinc/43/61/88/747436188.db2.gz FWKUOWIVWMYJQR-OAHLLOKOSA-N 2 0 324.469 0.647 20 30 DCEDRP COC(OC)c1c(/C=N/O)ccnc1NC(=[NH2+])NCCCC[NH3+] ZINC001167880447 748460017 /nfs/dbraw/zinc/46/00/17/748460017.db2.gz OCUPSNHTSWKSHE-DJKKODMXSA-N 2 0 324.385 0.856 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCCN2CCCC)C[C@H]1C ZINC001106479759 751163530 /nfs/dbraw/zinc/16/35/30/751163530.db2.gz PNDTUVMMENTQCF-ZACQAIPSSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC2(CCOCC2)C1 ZINC001099589438 752519920 /nfs/dbraw/zinc/51/99/20/752519920.db2.gz YNGRJXPBAFMPIR-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC2(CCOCC2)C1 ZINC001089967459 753155603 /nfs/dbraw/zinc/15/56/03/753155603.db2.gz DOEMJVVACBTVLQ-HOTGVXAUSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001046036868 753440303 /nfs/dbraw/zinc/44/03/03/753440303.db2.gz HZMYMZPIQMNSDY-IRXDYDNUSA-N 2 0 320.481 0.424 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001046039242 753441849 /nfs/dbraw/zinc/44/18/49/753441849.db2.gz UUHZBEVDCKEIIE-DLBZAZTESA-N 2 0 320.481 0.568 20 30 DCEDRP C=CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046081544 753471067 /nfs/dbraw/zinc/47/10/67/753471067.db2.gz HEHNHLBJVYNUIO-IRXDYDNUSA-N 2 0 320.481 0.733 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001128551658 754086262 /nfs/dbraw/zinc/08/62/62/754086262.db2.gz DMAOXBWXTRZISO-OLZOCXBDSA-N 2 0 316.421 0.063 20 30 DCEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090393956 757391902 /nfs/dbraw/zinc/39/19/02/757391902.db2.gz RXUOVUFXLIQTNU-LSDHHAIUSA-N 2 0 305.422 0.190 20 30 DCEDRP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001083024788 757426329 /nfs/dbraw/zinc/42/63/29/757426329.db2.gz ZLKALVUGMWRGOP-HRCADAONSA-N 2 0 307.438 0.958 20 30 DCEDRP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083084007 757484090 /nfs/dbraw/zinc/48/40/90/757484090.db2.gz VSMGXOAKAIXWFA-IXDOHACOSA-N 2 0 317.433 0.263 20 30 DCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001050521993 757792139 /nfs/dbraw/zinc/79/21/39/757792139.db2.gz YGYGBEMOCJYCNO-INIZCTEOSA-N 2 0 301.434 0.886 20 30 DCEDRP C#CC[NH+](CCO)C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001098478845 762678373 /nfs/dbraw/zinc/67/83/73/762678373.db2.gz GQZAGPMGTGGVRZ-UHFFFAOYSA-N 2 0 321.465 0.637 20 30 DCEDRP C#CC[NH+](CCO)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001098533087 762687609 /nfs/dbraw/zinc/68/76/09/762687609.db2.gz RQHTZLFXHNZTIE-OAHLLOKOSA-N 2 0 307.438 0.247 20 30 DCEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001086091700 759704599 /nfs/dbraw/zinc/70/45/99/759704599.db2.gz KCDLGSACGPBMPV-FZKCQIBNSA-N 2 0 307.438 0.910 20 30 DCEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001086368847 760108708 /nfs/dbraw/zinc/10/87/08/760108708.db2.gz AAESDWPUHRMMEJ-HDJSIYSDSA-N 2 0 305.426 0.729 20 30 DCEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCc2cncn2C)[C@H](O)C1 ZINC001100094628 760245379 /nfs/dbraw/zinc/24/53/79/760245379.db2.gz PQQCMKNMQHQHRP-JKSUJKDBSA-N 2 0 320.437 0.870 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001086502974 760264971 /nfs/dbraw/zinc/26/49/71/760264971.db2.gz XENBYXYMFRGKGO-CTYIDZIISA-N 2 0 303.410 0.176 20 30 DCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129337410 760739311 /nfs/dbraw/zinc/73/93/11/760739311.db2.gz GUUZIMJFGBCDCC-CABCVRRESA-N 2 0 320.441 0.538 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070219974 761142493 /nfs/dbraw/zinc/14/24/93/761142493.db2.gz UZHCTHOPLFPFBG-KFWWJZLASA-N 2 0 318.425 0.290 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001070719062 761412256 /nfs/dbraw/zinc/41/22/56/761412256.db2.gz RDEBSVGRBCGGRR-RRFJBIMHSA-N 2 0 317.437 0.442 20 30 DCEDRP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@@H](C)O2 ZINC001071175335 761684515 /nfs/dbraw/zinc/68/45/15/761684515.db2.gz CKTHEBKPUDBGTB-NVXWUHKLSA-N 2 0 319.449 0.796 20 30 DCEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001090437199 761691475 /nfs/dbraw/zinc/69/14/75/761691475.db2.gz ZLVVMWWLKXDAGW-HOTGVXAUSA-N 2 0 312.373 0.523 20 30 DCEDRP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@@H](C)O2 ZINC001071228432 761725558 /nfs/dbraw/zinc/72/55/58/761725558.db2.gz UPOOMACJGUQZHJ-QAPCUYQASA-N 2 0 317.433 0.407 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)C[NH+]1CCCC1)C[C@H](C)O2 ZINC001098660724 762706416 /nfs/dbraw/zinc/70/64/16/762706416.db2.gz XHXPNJNHKNGPLN-INIZCTEOSA-N 2 0 319.449 0.797 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCO)C3)CC1 ZINC001099174504 762826888 /nfs/dbraw/zinc/82/68/88/762826888.db2.gz PYTULHFHNCIYFT-WMZOPIPTSA-N 2 0 319.449 0.295 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1=O ZINC001129842530 763022511 /nfs/dbraw/zinc/02/25/11/763022511.db2.gz ZKWCTKYUVCIUOB-LSDHHAIUSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100073958 763282308 /nfs/dbraw/zinc/28/23/08/763282308.db2.gz IBZXWBIHJKELQM-CABCVRRESA-N 2 0 307.438 0.600 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC)C1=O ZINC001130424742 763296778 /nfs/dbraw/zinc/29/67/78/763296778.db2.gz ALCXHSOKAKYFJC-CYBMUJFWSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[N@@H+](C)CCC)C1 ZINC001130446772 763312164 /nfs/dbraw/zinc/31/21/64/763312164.db2.gz QZWASPDCOMENAA-CQSZACIVSA-N 2 0 317.437 0.790 20 30 DCEDRP C#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001130452283 763320890 /nfs/dbraw/zinc/32/08/90/763320890.db2.gz AGAMBNGHQWHFIK-AWEZNQCLSA-N 2 0 317.437 0.789 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001100635696 763694569 /nfs/dbraw/zinc/69/45/69/763694569.db2.gz AUPDDZRHYIPBCV-UHFFFAOYSA-N 2 0 307.438 0.462 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001100647235 763701166 /nfs/dbraw/zinc/70/11/66/763701166.db2.gz JSJNQBWJHXRFEQ-UYSNPLJNSA-N 2 0 309.454 0.707 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001100731606 763750362 /nfs/dbraw/zinc/75/03/62/763750362.db2.gz BSWZUFOMXVICBX-UHFFFAOYSA-N 2 0 321.465 0.853 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100984819 763897805 /nfs/dbraw/zinc/89/78/05/763897805.db2.gz UDICOHPEXKPLMB-NFOMZHRRSA-N 2 0 322.453 0.257 20 30 DCEDRP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCC[NH+](C)C)C[C@H](C)O2 ZINC001131682655 763934755 /nfs/dbraw/zinc/93/47/55/763934755.db2.gz RHLQAZTVWURTHF-RDJZCZTQSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CC[NH+](CCO)C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001098479105 764476875 /nfs/dbraw/zinc/47/68/75/764476875.db2.gz SGADMZFYZCTACJ-UHFFFAOYSA-N 2 0 323.481 0.883 20 30 DCEDRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC#CCOC)C[C@H]1C)[NH+](C)C ZINC001102088136 764522380 /nfs/dbraw/zinc/52/23/80/764522380.db2.gz ODMAFZHJPIDEEF-BZUAXINKSA-N 2 0 309.454 0.661 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001132743110 764620287 /nfs/dbraw/zinc/62/02/87/764620287.db2.gz UVTBAVRIJHPHGO-CABCVRRESA-N 2 0 324.469 0.505 20 30 DCEDRP C#CC[N@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092143461 768226708 /nfs/dbraw/zinc/22/67/08/768226708.db2.gz IDZMMBHCYNTERO-QAPCUYQASA-N 2 0 319.449 0.511 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132985848 764770103 /nfs/dbraw/zinc/77/01/03/764770103.db2.gz UUDRVDOGWPVGAQ-LBPRGKRZSA-N 2 0 322.409 0.351 20 30 DCEDRP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294417 764911538 /nfs/dbraw/zinc/91/15/38/764911538.db2.gz IEJJHLUBUFJIDR-AWEZNQCLSA-N 2 0 312.458 0.457 20 30 DCEDRP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092276315 768254966 /nfs/dbraw/zinc/25/49/66/768254966.db2.gz KZUPAEUPQMGGTQ-NUJGCVRESA-N 2 0 319.449 0.368 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001133690661 765095627 /nfs/dbraw/zinc/09/56/27/765095627.db2.gz SHSKRBCAPCFNDK-KGLIPLIRSA-N 2 0 312.458 0.503 20 30 DCEDRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001124873254 768319987 /nfs/dbraw/zinc/31/99/87/768319987.db2.gz UUSWOVCCWSJCSZ-HNNXBMFYSA-N 2 0 304.369 0.997 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001090693754 766484286 /nfs/dbraw/zinc/48/42/86/766484286.db2.gz VDRNSUKAYKYLQZ-IRXDYDNUSA-N 2 0 321.465 0.682 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001120449964 767019679 /nfs/dbraw/zinc/01/96/79/767019679.db2.gz QSLYPAVWFCWZRO-IAGOWNOFSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146591374 767484336 /nfs/dbraw/zinc/48/43/36/767484336.db2.gz GKTCRYYMOVKYLI-KBPBESRZSA-N 2 0 312.458 0.502 20 30 DCEDRP C#CC[NH2+]CC(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC001121910533 767664332 /nfs/dbraw/zinc/66/43/32/767664332.db2.gz KXDBAODCWCZVEE-UHFFFAOYSA-N 2 0 319.405 0.475 20 30 DCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001093040332 768441993 /nfs/dbraw/zinc/44/19/93/768441993.db2.gz NEMRMTBNKACQGD-HUUCEWRRSA-N 2 0 317.437 0.376 20 30 DCEDRP C#CCN1CCCO[C@@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001150331550 769067862 /nfs/dbraw/zinc/06/78/62/769067862.db2.gz DQZLOVZZPAAJKQ-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001150497594 769111276 /nfs/dbraw/zinc/11/12/76/769111276.db2.gz KDBOLBGUAILBDA-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC001151049748 769245861 /nfs/dbraw/zinc/24/58/61/769245861.db2.gz YFRJPYHQMAJQSJ-OAHLLOKOSA-N 2 0 316.405 0.746 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](O)C1 ZINC001099938553 769427866 /nfs/dbraw/zinc/42/78/66/769427866.db2.gz XNROIFHQONNZDD-HUUCEWRRSA-N 2 0 309.454 0.988 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cncc(C)c2)CC1 ZINC001152334829 769528997 /nfs/dbraw/zinc/52/89/97/769528997.db2.gz QPBGSTHNFVJOFR-UHFFFAOYSA-N 2 0 314.433 0.941 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176880630 770206450 /nfs/dbraw/zinc/20/64/50/770206450.db2.gz YYFRCNCBIYHYRU-UHFFFAOYSA-N 2 0 310.442 0.261 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176884749 770208795 /nfs/dbraw/zinc/20/87/95/770208795.db2.gz RLABXJCWAHGWAW-OAHLLOKOSA-N 2 0 322.453 0.096 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176938473 770235467 /nfs/dbraw/zinc/23/54/67/770235467.db2.gz RNYHDWYLFGVHOJ-HNNXBMFYSA-N 2 0 322.453 0.096 20 30 DCEDRP C#CC[NH2+]CCCCCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001178508987 770770251 /nfs/dbraw/zinc/77/02/51/770770251.db2.gz ATMMUMRKGVHNSH-UHFFFAOYSA-N 2 0 319.453 0.958 20 30 DCEDRP COC(=O)[C@@H](CCC[NH3+])Nc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001157115042 771539433 /nfs/dbraw/zinc/53/94/33/771539433.db2.gz UJIOTWKWWMHTGW-CQSZACIVSA-N 2 0 317.393 0.681 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158202266 771740228 /nfs/dbraw/zinc/74/02/28/771740228.db2.gz KCYLFGUQBTTWTN-ZFWWWQNUSA-N 2 0 322.453 0.115 20 30 DCEDRP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158208093 771741629 /nfs/dbraw/zinc/74/16/29/771741629.db2.gz LDEYUEATQAMETA-LTIDMASMSA-N 2 0 310.401 0.824 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001185158633 771871017 /nfs/dbraw/zinc/87/10/17/771871017.db2.gz SMLBRMPRMCWDLZ-SOUVJXGZSA-N 2 0 322.453 0.209 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC12CCOCC2 ZINC001186471364 772044410 /nfs/dbraw/zinc/04/44/10/772044410.db2.gz AFMGQLYMOPYTGC-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001187135543 772140445 /nfs/dbraw/zinc/14/04/45/772140445.db2.gz UHTPKHRQCVTIFN-CQSZACIVSA-N 2 0 316.405 0.602 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189786647 772532539 /nfs/dbraw/zinc/53/25/39/772532539.db2.gz HCCFBJOZHKTODJ-IXDOHACOSA-N 2 0 319.449 0.511 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+]CC#CCOC)C1 ZINC001164449555 772660285 /nfs/dbraw/zinc/66/02/85/772660285.db2.gz LPQLWAWPWLMJRN-MRXNPFEDSA-N 2 0 309.454 0.854 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]C[C@@H](C)OC)CC2)CC1 ZINC001203869732 772927871 /nfs/dbraw/zinc/92/78/71/772927871.db2.gz OFRVOUUWPZWSJY-OAHLLOKOSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001205345569 772988208 /nfs/dbraw/zinc/98/82/08/772988208.db2.gz RCGMWXHFHVQMAF-IRXDYDNUSA-N 2 0 319.449 0.701 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001193447352 773061254 /nfs/dbraw/zinc/06/12/54/773061254.db2.gz OVRZXYVCLNRVAA-RBSFLKMASA-N 2 0 315.433 0.794 20 30 DCEDRP COCC#CC[NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001206274291 773061703 /nfs/dbraw/zinc/06/17/03/773061703.db2.gz HLCOKTFOPBEYAY-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)[C@@H](C)COC)C2)CC1 ZINC001194245562 773167413 /nfs/dbraw/zinc/16/74/13/773167413.db2.gz CMYWTUNCYAWUAF-RDJZCZTQSA-N 2 0 321.465 0.899 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001208424016 773457633 /nfs/dbraw/zinc/45/76/33/773457633.db2.gz SLGIOUYAZAVOFR-LSDHHAIUSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@H]2CCO[C@H](C)C2)CC1 ZINC001152324296 773721950 /nfs/dbraw/zinc/72/19/50/773721950.db2.gz OVYBNBBARVZBBO-CVEARBPZSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211090710 773769824 /nfs/dbraw/zinc/76/98/24/773769824.db2.gz LECWXOWDTFNLLQ-HOTGVXAUSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CCOCC)C2)CC1 ZINC001211233396 773783617 /nfs/dbraw/zinc/78/36/17/773783617.db2.gz DHOKADQAJLIVOF-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+][C@@H](C)COC)C2)CC1 ZINC001211233688 773784181 /nfs/dbraw/zinc/78/41/81/773784181.db2.gz LUPXAJUKTPFOKS-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCOCC[N@@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001197823594 773812579 /nfs/dbraw/zinc/81/25/79/773812579.db2.gz DGHXOIXYSSLKQH-UHFFFAOYSA-N 2 0 307.438 0.819 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001214904945 774024011 /nfs/dbraw/zinc/02/40/11/774024011.db2.gz QXKNQYZZPVVEET-FMKPAKJESA-N 2 0 324.469 0.311 20 30 DCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001217005466 774148803 /nfs/dbraw/zinc/14/88/03/774148803.db2.gz IMJABGYAPLRIQQ-GDBMZVCRSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200528486 774362716 /nfs/dbraw/zinc/36/27/16/774362716.db2.gz LPWXTKHZDWOIPZ-JKSUJKDBSA-N 2 0 305.422 0.169 20 30 DCEDRP CC#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001200658453 774392438 /nfs/dbraw/zinc/39/24/38/774392438.db2.gz NEXVCNKMQLEQIA-HZPDHXFCSA-N 2 0 305.422 0.454 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CCCO1 ZINC001200866796 774421439 /nfs/dbraw/zinc/42/14/39/774421439.db2.gz XVIKMDMXSFEBSZ-DLBZAZTESA-N 2 0 321.465 0.947 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201336552 774495082 /nfs/dbraw/zinc/49/50/82/774495082.db2.gz VHJRSERJDMZKSY-ZDUSSCGKSA-N 2 0 303.834 0.898 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CCCO1 ZINC001201419647 774507040 /nfs/dbraw/zinc/50/70/40/774507040.db2.gz HDTBDKUDUYRRGB-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCCO1 ZINC001201713332 774542647 /nfs/dbraw/zinc/54/26/47/774542647.db2.gz VSRLTRFBUQGUHX-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCCO1 ZINC001201720544 774543559 /nfs/dbraw/zinc/54/35/59/774543559.db2.gz SKLGBNXPBYCDFM-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230415 774741334 /nfs/dbraw/zinc/74/13/34/774741334.db2.gz DNVNITWOZINJIE-KFWWJZLASA-N 2 0 309.454 0.844 20 30 DCEDRP N#CC1(NC(=O)[C@@H](N)CC[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001220643555 774874814 /nfs/dbraw/zinc/87/48/14/774874814.db2.gz KDZOBGUEOIUZST-HNNXBMFYSA-N 2 0 315.421 0.337 20 30 DCEDRP C=CCOCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220825888 774926204 /nfs/dbraw/zinc/92/62/04/774926204.db2.gz HNOCGURHZUTMQN-CABCVRRESA-N 2 0 313.442 0.082 20 30 DCEDRP COCC#CC[NH+]1CCC(CNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001223466182 775492248 /nfs/dbraw/zinc/49/22/48/775492248.db2.gz OFPLFIAENNFGHA-KRWDZBQOSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001224546919 775582744 /nfs/dbraw/zinc/58/27/44/775582744.db2.gz SUIAULZSCSVDKX-WBVHZDCISA-N 2 0 321.465 0.662 20 30 DCEDRP C#CCC[NH+]1CCC(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001225448392 775680325 /nfs/dbraw/zinc/68/03/25/775680325.db2.gz JJEJGKGMEXGYBH-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001226608455 775845536 /nfs/dbraw/zinc/84/55/36/775845536.db2.gz IIJRAEUWSADTCM-DZGCQCFKSA-N 2 0 322.453 0.352 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001230141234 776257642 /nfs/dbraw/zinc/25/76/42/776257642.db2.gz BMHPYRMUHNUJLO-HUUCEWRRSA-N 2 0 322.453 0.401 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CCCO)CC1 ZINC001278005489 945092075 /nfs/dbraw/zinc/09/20/75/945092075.db2.gz LUBKUNKIPJBCQF-INIZCTEOSA-N 2 0 307.438 0.295 20 30 DCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001278316752 945218216 /nfs/dbraw/zinc/21/82/16/945218216.db2.gz UVDTXYGVYABQAA-HUUCEWRRSA-N 2 0 307.438 0.864 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001266439579 939118726 /nfs/dbraw/zinc/11/87/26/939118726.db2.gz RLRBONGOEMVCRX-GOEBONIOSA-N 2 0 307.438 0.462 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001266537149 939155969 /nfs/dbraw/zinc/15/59/69/939155969.db2.gz FYKCWVQOXBFJHY-KRWDZBQOSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[NH2+]CCO)C2)CC1 ZINC001266823942 939246137 /nfs/dbraw/zinc/24/61/37/939246137.db2.gz XNMMFMARMIEUEI-OAHLLOKOSA-N 2 0 307.438 0.152 20 30 DCEDRP C=CCN1CC[C@@H]([N@H+](CC)CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001267256253 939404923 /nfs/dbraw/zinc/40/49/23/939404923.db2.gz OSWNLFYCMYFCHF-OAHLLOKOSA-N 2 0 322.453 0.307 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1=O ZINC001267429056 939454347 /nfs/dbraw/zinc/45/43/47/939454347.db2.gz MHURLDJNHQWDSZ-LSDHHAIUSA-N 2 0 322.453 0.163 20 30 DCEDRP C=CCN1C(=O)COCC12C[NH+](CC1(C)CC[NH+](C)CC1)C2 ZINC001273100757 945253228 /nfs/dbraw/zinc/25/32/28/945253228.db2.gz DQIBEWUOZAPJFS-UHFFFAOYSA-N 2 0 307.438 0.818 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)CC#CCOC)CC[N@@H+]1C ZINC001480976182 939508456 /nfs/dbraw/zinc/50/84/56/939508456.db2.gz XEVSZRSEWSYPKB-JKSUJKDBSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCC[NH+]1CCN(CCN(C)C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001267575539 939521569 /nfs/dbraw/zinc/52/15/69/939521569.db2.gz FRLUKNUZHRRNPA-INIZCTEOSA-N 2 0 310.486 0.979 20 30 DCEDRP C=CCOCC[N@@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001481118714 939569951 /nfs/dbraw/zinc/56/99/51/939569951.db2.gz LNZHOWLUXPVHTI-OAHLLOKOSA-N 2 0 307.438 0.723 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001267709381 939633661 /nfs/dbraw/zinc/63/36/61/939633661.db2.gz WHPZJTVQKXLCBI-INIZCTEOSA-N 2 0 307.438 0.512 20 30 DCEDRP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001268364130 940082081 /nfs/dbraw/zinc/08/20/81/940082081.db2.gz BELNJBOGABJHQA-CABCVRRESA-N 2 0 322.453 0.093 20 30 DCEDRP COCC#CC[NH2+]C[C@@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001481950593 940194160 /nfs/dbraw/zinc/19/41/60/940194160.db2.gz JDNRQIVNHJQEPF-QGZVFWFLSA-N 2 0 307.438 0.607 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001482064981 940241845 /nfs/dbraw/zinc/24/18/45/940241845.db2.gz BHEWESBYJSJFFU-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCC[C@@H](O)C[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246047757 945327689 /nfs/dbraw/zinc/32/76/89/945327689.db2.gz SWWITHSSOOACDW-GAGVYUBLSA-N 2 0 308.422 0.644 20 30 DCEDRP COCC#CC[NH2+]C[C@](C)(NC(=O)CCc1c[nH]cn1)C1CC1 ZINC001269619209 940743999 /nfs/dbraw/zinc/74/39/99/940743999.db2.gz LYNDREBPRDJRGX-KRWDZBQOSA-N 2 0 318.421 0.867 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001270112503 940837413 /nfs/dbraw/zinc/83/74/13/940837413.db2.gz GQESAORLJQSCPQ-CABCVRRESA-N 2 0 322.453 0.354 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]Cc2cnon2)CC1 ZINC001270604492 940934016 /nfs/dbraw/zinc/93/40/16/940934016.db2.gz QLTDVFHMJXPAQF-ZDUSSCGKSA-N 2 0 319.409 0.257 20 30 DCEDRP C=C(C)CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001271174729 941313950 /nfs/dbraw/zinc/31/39/50/941313950.db2.gz KSOCTSPGZUIKTC-RDJZCZTQSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001271752563 941443571 /nfs/dbraw/zinc/44/35/71/941443571.db2.gz RWZWQRCHCSWYPG-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+]C1CCN(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001271932231 941483526 /nfs/dbraw/zinc/48/35/26/941483526.db2.gz OEHSJKVKKBMWEF-KRWDZBQOSA-N 2 0 320.481 0.664 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCCO)CC1 ZINC001482697276 941626038 /nfs/dbraw/zinc/62/60/38/941626038.db2.gz LITGIHVUGRZGFK-IAGOWNOFSA-N 2 0 321.465 0.589 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001482781192 941662567 /nfs/dbraw/zinc/66/25/67/941662567.db2.gz HBBQVBTWDIXMBI-ZDUSSCGKSA-N 2 0 303.834 0.538 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001482991482 941761553 /nfs/dbraw/zinc/76/15/53/941761553.db2.gz RTWVPTUSXFLXRC-BUHQSOCUSA-N 2 0 308.426 0.033 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1=O ZINC001127066286 942423411 /nfs/dbraw/zinc/42/34/11/942423411.db2.gz LENQKCYVRAHGMF-GJZGRUSLSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001483988618 943073121 /nfs/dbraw/zinc/07/31/21/943073121.db2.gz HTQFTOWIUKLTSK-JKSUJKDBSA-N 2 0 321.465 0.635 20 30 DCEDRP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001484841652 943591320 /nfs/dbraw/zinc/59/13/20/943591320.db2.gz PEQAQZPECOFHJA-BFYDXBDKSA-N 2 0 309.454 0.846 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001484841370 943591398 /nfs/dbraw/zinc/59/13/98/943591398.db2.gz HUSPACNNZLLEIR-FUHWJXTLSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001484961072 943633242 /nfs/dbraw/zinc/63/32/42/943633242.db2.gz QAZGWZJHGITMCQ-UHFFFAOYSA-N 2 0 323.481 0.931 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001485695621 944090711 /nfs/dbraw/zinc/09/07/11/944090711.db2.gz MUWMUSKNAIVOSW-KOMQPUFPSA-N 2 0 307.438 0.462 20 30 DCEDRP CC#CC[N@H+](C)CCOCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001485773209 944129956 /nfs/dbraw/zinc/12/99/56/944129956.db2.gz REHHNSLBIKDGJA-MRXNPFEDSA-N 2 0 309.454 0.947 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CC#CCOC)C2CC2)CC[N@@H+]1C ZINC001276588524 944223927 /nfs/dbraw/zinc/22/39/27/944223927.db2.gz IWHZTGBNZMPPEW-YESZJQIVSA-N 2 0 321.465 0.851 20 30 DCEDRP C=CC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001485998387 944473465 /nfs/dbraw/zinc/47/34/65/944473465.db2.gz WNIAVZNWTTVNFF-GJZGRUSLSA-N 2 0 309.454 0.894 20 30 DCEDRP C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001486050070 944532679 /nfs/dbraw/zinc/53/26/79/944532679.db2.gz KPMQHFDERRRKMK-HZPDHXFCSA-N 2 0 303.406 0.379 20 30 DCEDRP COCC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001486130403 944585376 /nfs/dbraw/zinc/58/53/76/944585376.db2.gz RFMHKCHSFGYQPN-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CCN1CC[C@@H]1CNC(=O)CCCCN1CCOCC1 ZINC001276942643 944601984 /nfs/dbraw/zinc/60/19/84/944601984.db2.gz YVALPXHGOBRQTL-MRXNPFEDSA-N 2 0 307.438 0.703 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001486221535 944660117 /nfs/dbraw/zinc/66/01/17/944660117.db2.gz SVPXHMYFTJPMJW-WBVHZDCISA-N 2 0 301.434 0.839 20 30 DCEDRP C#CC[NH2+][C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC001317020190 944741843 /nfs/dbraw/zinc/74/18/43/944741843.db2.gz VDKSRKULFNGTRR-OAHLLOKOSA-N 2 0 307.438 0.462 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001277423021 944812629 /nfs/dbraw/zinc/81/26/29/944812629.db2.gz LDYCBQWXSPYAOE-AWEZNQCLSA-N 2 0 324.469 0.552 20 30 DCEDRP C=C(C)C[N@H+](C)CCOCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001277493893 944843616 /nfs/dbraw/zinc/84/36/16/944843616.db2.gz LRQZYVODRUBEIU-MRXNPFEDSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001277646596 944926820 /nfs/dbraw/zinc/92/68/20/944926820.db2.gz IUMQARFVYQFPLL-INIZCTEOSA-N 2 0 317.437 0.518 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001317521375 945017615 /nfs/dbraw/zinc/01/76/15/945017615.db2.gz CJWJPJHOOCYBTO-WBVHZDCISA-N 2 0 319.449 0.416 20 30 DCEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246310058 945381787 /nfs/dbraw/zinc/38/17/87/945381787.db2.gz YMMGGRSFXJIZQE-STQMWFEESA-N 2 0 313.467 0.650 20 30 DCEDRP COC(=O)c1ccc(C(=[NH2+])N[C@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246303153 945381933 /nfs/dbraw/zinc/38/19/33/945381933.db2.gz GBQUPFCSLITNBP-ZDUSSCGKSA-N 2 0 302.378 0.273 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001318555477 945401189 /nfs/dbraw/zinc/40/11/89/945401189.db2.gz NCISQHVLUNPCRV-CQSZACIVSA-N 2 0 322.453 0.095 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)COC)CC1 ZINC001319590681 945626457 /nfs/dbraw/zinc/62/64/57/945626457.db2.gz VLPFCLUZIJGTJI-GJZGRUSLSA-N 2 0 309.454 0.803 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)C[C@H]2CCOC2)CC1 ZINC001320090839 945737888 /nfs/dbraw/zinc/73/78/88/945737888.db2.gz QBKIRSNZYOVIMO-MRXNPFEDSA-N 2 0 321.465 0.758 20 30 DCEDRP C#CCOC[C@H](O)C[NH2+]Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001251885154 945809543 /nfs/dbraw/zinc/80/95/43/945809543.db2.gz OYWORPJNSSGSSP-GOSISDBHSA-N 2 0 317.433 0.539 20 30 DCEDRP C#CCOC[C@@H](O)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001251884712 945810034 /nfs/dbraw/zinc/81/00/34/945810034.db2.gz FDSVHTSFKXOPPY-INIZCTEOSA-N 2 0 306.406 0.727 20 30 DCEDRP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001324353943 947396500 /nfs/dbraw/zinc/39/65/00/947396500.db2.gz YPUCMARVZZUPEI-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH2+]C1CCN(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001325805712 947929250 /nfs/dbraw/zinc/92/92/50/947929250.db2.gz JZBLCKZZUREQGW-UHFFFAOYSA-N 2 0 320.481 0.522 20 30 DCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC001326770026 948269885 /nfs/dbraw/zinc/26/98/85/948269885.db2.gz JASGIHAWKNOMCO-OAHLLOKOSA-N 2 0 308.426 0.578 20 30 DCEDRP CN1CCC([NH+]2CCC(NC(=O)[C@H]([NH3+])CCCC#N)CC2)CC1 ZINC001326782751 948276155 /nfs/dbraw/zinc/27/61/55/948276155.db2.gz AFRXKTTYBVFHLF-MRXNPFEDSA-N 2 0 321.469 0.682 20 30 DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001273877492 948649021 /nfs/dbraw/zinc/64/90/21/948649021.db2.gz VYYHCINAMNMLEF-AEFFLSMTSA-N 2 0 319.449 0.295 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001273877494 948649666 /nfs/dbraw/zinc/64/96/66/948649666.db2.gz VYYHCINAMNMLEF-FUHWJXTLSA-N 2 0 319.449 0.295 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001328186272 948736331 /nfs/dbraw/zinc/73/63/31/948736331.db2.gz NEZQGOWDFIRFLR-INIZCTEOSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1OCC ZINC001263975998 948822465 /nfs/dbraw/zinc/82/24/65/948822465.db2.gz YOSNNOWUAIUIKP-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC#CCOC ZINC001264067770 948860789 /nfs/dbraw/zinc/86/07/89/948860789.db2.gz QKFHYRAGOAAPIR-YESZJQIVSA-N 2 0 321.465 0.947 20 30 DCEDRP C=C(C)C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001328530701 948945861 /nfs/dbraw/zinc/94/58/61/948945861.db2.gz SCZWRHHJJKRRJH-MRXNPFEDSA-N 2 0 321.465 0.847 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265443843 949691954 /nfs/dbraw/zinc/69/19/54/949691954.db2.gz GTNJHLKVMXSDTC-KBPBESRZSA-N 2 0 322.453 0.209 20 30 DCEDRP COCC#CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001266152783 950425330 /nfs/dbraw/zinc/42/53/30/950425330.db2.gz ZZVLTFTYPLQYCI-MRXNPFEDSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001490469819 950713537 /nfs/dbraw/zinc/71/35/37/950713537.db2.gz JZRVDTPKYAPHQK-QGZVFWFLSA-N 2 0 320.481 0.618 20 30 DCEDRP C#CCN1CCN(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001490494605 950747723 /nfs/dbraw/zinc/74/77/23/950747723.db2.gz LGXWOVPELYXEDL-DLBZAZTESA-N 2 0 318.465 0.370 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCOC)CCC2)CC1 ZINC001280544505 950934621 /nfs/dbraw/zinc/93/46/21/950934621.db2.gz ATOXQUYEOQYDAS-UHFFFAOYSA-N 2 0 307.438 0.607 20 30 DCEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001490611051 950947798 /nfs/dbraw/zinc/94/77/98/950947798.db2.gz QVYNOCBPGHCUOP-HOTGVXAUSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CC[NH2+][C@H](CCNC(=O)[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC001331225257 951026956 /nfs/dbraw/zinc/02/69/56/951026956.db2.gz DPZOIZHZGGECQZ-HZPDHXFCSA-N 2 0 309.454 0.708 20 30 DCEDRP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001332661949 951749362 /nfs/dbraw/zinc/74/93/62/951749362.db2.gz BBMRZRXABNPAQP-HNNXBMFYSA-N 2 0 311.470 0.739 20 30 DCEDRP C[NH+](C)CCn1nccc1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001333089094 951913661 /nfs/dbraw/zinc/91/36/61/951913661.db2.gz CZCABIDLSLVSBF-UHFFFAOYSA-N 2 0 304.398 0.162 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC001336002768 952630804 /nfs/dbraw/zinc/63/08/04/952630804.db2.gz NHFNCMFFEUPWDD-UHFFFAOYSA-N 2 0 309.458 0.359 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001480679109 953453456 /nfs/dbraw/zinc/45/34/56/953453456.db2.gz GSLBSMQRKOESDS-CVEARBPZSA-N 2 0 307.438 0.416 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001283051720 953957365 /nfs/dbraw/zinc/95/73/65/953957365.db2.gz RDKXHCZURLYHFU-ULQDDVLXSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001283555399 954446803 /nfs/dbraw/zinc/44/68/03/954446803.db2.gz HULIPIJXPLOYIP-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001284459997 955110688 /nfs/dbraw/zinc/11/06/88/955110688.db2.gz OJMWDEQBJLZSRX-INIZCTEOSA-N 2 0 305.422 0.957 20 30 DCEDRP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CN(CC)CCO1 ZINC001284520115 955152948 /nfs/dbraw/zinc/15/29/48/955152948.db2.gz OKWFWHYMURSCTL-GJZGRUSLSA-N 2 0 313.442 0.034 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001491682035 959045876 /nfs/dbraw/zinc/04/58/76/959045876.db2.gz ICLUPRLGIGSBGW-JKSUJKDBSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001491748039 959176044 /nfs/dbraw/zinc/17/60/44/959176044.db2.gz SMLBRMPRMCWDLZ-KKUMJFAQSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)CCCCN2CCOCC2)C1 ZINC001491757101 959190297 /nfs/dbraw/zinc/19/02/97/959190297.db2.gz LCCWFTNDDMRHMM-INIZCTEOSA-N 2 0 307.438 0.703 20 30 DCEDRP C=C(Cl)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001377161672 959601779 /nfs/dbraw/zinc/60/17/79/959601779.db2.gz ZEYJFCODMDMKEB-ZFWWWQNUSA-N 2 0 315.845 0.776 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001493253613 959804180 /nfs/dbraw/zinc/80/41/80/959804180.db2.gz CZEZNHUAABOAMB-ZIAGYGMSSA-N 2 0 310.442 0.067 20 30 DCEDRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC#CC[NH+](C)C ZINC001313439951 960304466 /nfs/dbraw/zinc/30/44/66/960304466.db2.gz ZADNNBFHECJJOZ-AWEZNQCLSA-N 2 0 310.442 0.038 20 30 DCEDRP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001316747476 960362149 /nfs/dbraw/zinc/36/21/49/960362149.db2.gz JACJYKYMIJBJKD-IAGOWNOFSA-N 2 0 321.465 0.779 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001369482458 965054462 /nfs/dbraw/zinc/05/44/62/965054462.db2.gz LFYLDYHLDFCAKJ-CQSZACIVSA-N 2 0 317.861 0.880 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001448495900 1013931869 /nfs/dbraw/zinc/93/18/69/1013931869.db2.gz GBDNODJDSGHOQN-JHJVBQTASA-N 2 0 301.818 0.554 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001393593171 993110765 /nfs/dbraw/zinc/11/07/65/993110765.db2.gz ROTBYEQNXZIYFK-CQSZACIVSA-N 2 0 315.845 0.898 20 30 DCEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001507079006 1015961742 /nfs/dbraw/zinc/96/17/42/1015961742.db2.gz IZCRLVYPZJNGFD-AWEZNQCLSA-N 2 0 305.426 0.518 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001507091628 1015977666 /nfs/dbraw/zinc/97/76/66/1015977666.db2.gz FXUMEQFBIAEMMT-KGLIPLIRSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001502585878 1015985653 /nfs/dbraw/zinc/98/56/53/1015985653.db2.gz AANHQZOBAAFINZ-KRWDZBQOSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001507231205 1016154572 /nfs/dbraw/zinc/15/45/72/1016154572.db2.gz YDXPGUUGHLXTCG-DOTOQJQBSA-N 2 0 321.465 0.874 20 30 DCEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1C#N ZINC001401497845 1000454126 /nfs/dbraw/zinc/45/41/26/1000454126.db2.gz MLMRJVHOSVVZAN-CVEARBPZSA-N 2 0 316.405 0.219 20 30 DCEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC001420090917 1001839307 /nfs/dbraw/zinc/83/93/07/1001839307.db2.gz AXVZJFLBZLHKNX-FZMZJTMJSA-N 2 0 322.434 0.281 20 30 DCEDRP C#CC[N@H+]1CC=C(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001508229891 1016726289 /nfs/dbraw/zinc/72/62/89/1016726289.db2.gz OMWOHHAVONXOCR-OAHLLOKOSA-N 2 0 305.422 0.336 20 30 DCEDRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC001422419552 1010054102 /nfs/dbraw/zinc/05/41/02/1010054102.db2.gz NSFFKHCFENCRKC-INIZCTEOSA-N 2 0 318.421 0.465 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001506752178 1017506175 /nfs/dbraw/zinc/50/61/75/1017506175.db2.gz HUTUQBROEOOGAN-JKSUJKDBSA-N 2 0 321.465 0.805 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001497032569 1017762688 /nfs/dbraw/zinc/76/26/88/1017762688.db2.gz KOHJHNZBLNEUSB-LBPRGKRZSA-N 2 0 303.834 0.680 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497191753 1017957815 /nfs/dbraw/zinc/95/78/15/1017957815.db2.gz CZNKURQTHHZGMV-BFHYXJOUSA-N 2 0 310.442 0.113 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001479939693 1018008352 /nfs/dbraw/zinc/00/83/52/1018008352.db2.gz DQGFUHALSMPWGB-INIZCTEOSA-N 2 0 306.454 0.085 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001499926858 1018138558 /nfs/dbraw/zinc/13/85/58/1018138558.db2.gz UIVIUVFTMGNXQL-GJZGRUSLSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001480088230 1018193662 /nfs/dbraw/zinc/19/36/62/1018193662.db2.gz WDEZXQUKRMISBK-IAGOWNOFSA-N 2 0 321.465 0.758 20 30 DCEDRP 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ZINC001496098514 1019066458 /nfs/dbraw/zinc/06/64/58/1019066458.db2.gz VAGPCTYKQAJQNK-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001493252944 1019254122 /nfs/dbraw/zinc/25/41/22/1019254122.db2.gz AZXCZBVLMGRGIM-CVEARBPZSA-N 2 0 309.454 0.661 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001496481767 1019343980 /nfs/dbraw/zinc/34/39/80/1019343980.db2.gz OXVVEZAQXGCWPI-GJZGRUSLSA-N 2 0 324.469 0.457 20 30 DCEDRP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001493793331 1019713406 /nfs/dbraw/zinc/71/34/06/1019713406.db2.gz GVPASRUESHAIKB-LBPRGKRZSA-N 2 0 303.834 0.755 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001496916683 1019758569 /nfs/dbraw/zinc/75/85/69/1019758569.db2.gz QOWSTIHDQVGMIQ-CVEARBPZSA-N 2 0 319.449 0.607 20 30 DCEDRP CN1CC[NH+]=C1NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000262200809 238170793 /nfs/dbraw/zinc/17/07/93/238170793.db2.gz 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305.422 0.663 20 30 DCEDRP C=CCN1CCO[C@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC000972552897 657762086 /nfs/dbraw/zinc/76/20/86/657762086.db2.gz VGSGDYRQNUUSLM-DOTOQJQBSA-N 2 0 307.438 0.960 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891921313 657917916 /nfs/dbraw/zinc/91/79/16/657917916.db2.gz MTSBYEVVUIAOMP-GFCCVEGCSA-N 2 0 302.369 0.486 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891921013 657920036 /nfs/dbraw/zinc/92/00/36/657920036.db2.gz HQQIFAOZHLQPQE-KRWDZBQOSA-N 2 0 314.433 0.955 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](CCCO)C2)CC1 ZINC000970919721 658080801 /nfs/dbraw/zinc/08/08/01/658080801.db2.gz FSVQQBMJWQPBOC-AWEZNQCLSA-N 2 0 307.438 0.151 20 30 DCEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@H](C)C[NH+]1CCCC1 ZINC000104174513 658188780 /nfs/dbraw/zinc/18/87/80/658188780.db2.gz OYYVFWVEKXSYPV-HNNXBMFYSA-N 2 0 311.474 0.216 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](C[C@H](C)O)C2)CC1 ZINC001023762124 658217853 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C#CCC[NH+]1CCC(NC(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000906774160 663640608 /nfs/dbraw/zinc/64/06/08/663640608.db2.gz VLCMEUWVCZQBTF-UHFFFAOYSA-N 2 0 306.454 0.084 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000908185435 663740706 /nfs/dbraw/zinc/74/07/06/663740706.db2.gz PHZFWUROJPRBDR-HNNXBMFYSA-N 2 0 322.453 0.306 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000911235614 664009024 /nfs/dbraw/zinc/00/90/24/664009024.db2.gz GDVFZKZVYAKPGZ-RRFJBIMHSA-N 2 0 320.437 0.152 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000913517876 664337579 /nfs/dbraw/zinc/33/75/79/664337579.db2.gz TWKPEVNPUHQPDK-QGZVFWFLSA-N 2 0 314.433 0.975 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1CCOCC1(C)C ZINC000170914954 664595413 /nfs/dbraw/zinc/59/54/13/664595413.db2.gz KRJZVFJLPPGZKN-AWEZNQCLSA-N 2 0 311.474 0.486 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](CCO)CC3)CC1 ZINC000992513154 664730589 /nfs/dbraw/zinc/73/05/89/664730589.db2.gz VPXBUQMQMBUEKV-AEFFLSMTSA-N 2 0 319.449 0.437 20 30 DCEDRP CC#CC[NH+]1CCC(NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001003776715 666359139 /nfs/dbraw/zinc/35/91/39/666359139.db2.gz CDPRKIROJGWPCE-UHFFFAOYSA-N 2 0 317.437 0.662 20 30 DCEDRP C[NH+]=C(NCC(=O)NC1CCCCC1)N[C@H]1CCN(C2CC2)C1 ZINC000083096623 666610751 /nfs/dbraw/zinc/61/07/51/666610751.db2.gz BVQNFLKHMLICRO-AWEZNQCLSA-N 2 0 321.469 0.837 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033278510 666658891 /nfs/dbraw/zinc/65/88/91/666658891.db2.gz POMVKSJNHABXKA-BNQMIIOLSA-N 2 0 317.433 0.406 20 30 DCEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033279969 666659968 /nfs/dbraw/zinc/65/99/68/666659968.db2.gz YPEJIYXDVWMQPQ-LPMVOBIJSA-N 2 0 319.449 0.958 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+]([C@@H](C)COC)C2)CC1 ZINC001033684369 666795457 /nfs/dbraw/zinc/79/54/57/666795457.db2.gz NVSYLMRHZVLNJV-RDJZCZTQSA-N 2 0 321.465 0.899 20 30 DCEDRP C#CCN1CC[C@H](N(CC)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033905444 666864240 /nfs/dbraw/zinc/86/42/40/666864240.db2.gz LEYADBDOYMSNDN-BNQMIIOLSA-N 2 0 317.433 0.406 20 30 DCEDRP C#CC[N@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001034045759 666907135 /nfs/dbraw/zinc/90/71/35/666907135.db2.gz MQDCDSUXFUUBCX-KRWDZBQOSA-N 2 0 301.434 0.888 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]C[C@H](C)O)CC2)CC1 ZINC000997365434 667259707 /nfs/dbraw/zinc/25/97/07/667259707.db2.gz UXQRFVZFDWIFKG-AWEZNQCLSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CCC[NH+]1CCC(NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000866014666 667360499 /nfs/dbraw/zinc/36/04/99/667360499.db2.gz CKZMMOMHFCTWJR-UHFFFAOYSA-N 2 0 317.437 0.662 20 30 DCEDRP C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C[NH+]1CCCC1 ZINC000884195650 667494661 /nfs/dbraw/zinc/49/46/61/667494661.db2.gz VFVKHXVSIAZFKN-BOLLXYOYSA-N 2 0 304.438 0.974 20 30 DCEDRP CN(CCC[NH+](C)C)CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884401464 667538399 /nfs/dbraw/zinc/53/83/99/667538399.db2.gz QPVRAFZQATUKCY-ISXOHVOVSA-N 2 0 321.469 0.125 20 30 DCEDRP N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923515799 667551964 /nfs/dbraw/zinc/55/19/64/667551964.db2.gz MLIBESWQOVIGPR-ARFHVFGLSA-N 2 0 301.390 0.839 20 30 DCEDRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(C#N)o2)C[C@H]1C[NH+](C)C ZINC000870017858 667698527 /nfs/dbraw/zinc/69/85/27/667698527.db2.gz IXAPSQJNUGYSGM-CHWSQXEVSA-N 2 0 304.394 0.963 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000838622831 667701158 /nfs/dbraw/zinc/70/11/58/667701158.db2.gz PNCMMRQTMTXCQV-JKSUJKDBSA-N 2 0 322.453 0.182 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)COC)C1 ZINC001691446796 1157775563 /nfs/dbraw/zinc/77/55/63/1157775563.db2.gz FPIUQWSFGHRNAJ-WCVJEAGWSA-N 2 0 307.438 0.603 20 30 DCEDRP C#CCN1CCC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000890370930 668124176 /nfs/dbraw/zinc/12/41/76/668124176.db2.gz IZFVGIQKPDIELC-MRXNPFEDSA-N 2 0 323.485 0.219 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000876913304 668534877 /nfs/dbraw/zinc/53/48/77/668534877.db2.gz CPZHYAKAZCAABN-RUXDESIVSA-N 2 0 314.861 0.789 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H](CC)[NH+](C)C)CCO2 ZINC000949123670 670265091 /nfs/dbraw/zinc/26/50/91/670265091.db2.gz HYRIWBFPNFAVDH-OAHLLOKOSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000856429981 670819175 /nfs/dbraw/zinc/81/91/75/670819175.db2.gz ORMSOCIWAVCHFE-KRWDZBQOSA-N 2 0 321.465 0.901 20 30 DCEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852856034 671175444 /nfs/dbraw/zinc/17/54/44/671175444.db2.gz SLKSGVDHLFJPPQ-INIZCTEOSA-N 2 0 307.438 0.462 20 30 DCEDRP CCN1CC[NH+](CCCCNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852873081 671181627 /nfs/dbraw/zinc/18/16/27/671181627.db2.gz OSAOTSPWNIPRIP-UHFFFAOYSA-N 2 0 320.481 0.523 20 30 DCEDRP [NH3+]Cc1nnc(-c2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)[nH]1 ZINC000852879880 671183451 /nfs/dbraw/zinc/18/34/51/671183451.db2.gz XLALUUNADQADHQ-UHFFFAOYSA-N 2 0 324.388 0.872 20 30 DCEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000841849933 671960067 /nfs/dbraw/zinc/96/00/67/671960067.db2.gz QDABKUWYAGFTJO-GJZGRUSLSA-N 2 0 311.389 0.831 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]CC#CCOC ZINC001733104938 1158714258 /nfs/dbraw/zinc/71/42/58/1158714258.db2.gz USXDIUWTOSUQGB-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP CC(C)NC(=[NH2+])NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000304777210 685211913 /nfs/dbraw/zinc/21/19/13/685211913.db2.gz IPUBUAKOHONPBW-UHFFFAOYSA-N 2 0 311.474 0.926 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000305888582 685216984 /nfs/dbraw/zinc/21/69/84/685216984.db2.gz ZRYBMKUNJRFYIX-GXTWGEPZSA-N 2 0 307.442 0.386 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCO)[C@H](CC)C2)CC1 ZINC001037986051 693978571 /nfs/dbraw/zinc/97/85/71/693978571.db2.gz ZBBQZBXYTLJQPI-NVXWUHKLSA-N 2 0 321.465 0.541 20 30 DCEDRP C=CCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC000958343501 687561846 /nfs/dbraw/zinc/56/18/46/687561846.db2.gz AQMZNKQHBSNYBW-GJZGRUSLSA-N 2 0 321.421 0.940 20 30 DCEDRP C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000958481769 687695806 /nfs/dbraw/zinc/69/58/06/687695806.db2.gz RYDWRMHHOWNMMF-IRXDYDNUSA-N 2 0 315.417 0.404 20 30 DCEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000960269675 688339980 /nfs/dbraw/zinc/33/99/80/688339980.db2.gz RTYYLBWPBSYPDM-VVLHAWIVSA-N 2 0 319.449 0.862 20 30 DCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000962004985 688788324 /nfs/dbraw/zinc/78/83/24/688788324.db2.gz AVMLEYIJNJHROQ-ZSHCYNCHSA-N 2 0 315.421 0.128 20 30 DCEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001007360106 690668896 /nfs/dbraw/zinc/66/88/96/690668896.db2.gz LANOMDLLFSDYFZ-CQSZACIVSA-N 2 0 305.426 0.825 20 30 DCEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020179176 693724511 /nfs/dbraw/zinc/72/45/11/693724511.db2.gz RAIVTHTYOWBEEX-SYQHCUMBSA-N 2 0 313.829 0.839 20 30 DCEDRP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001073677898 694766278 /nfs/dbraw/zinc/76/62/78/694766278.db2.gz VUCSDUZVDXGYPQ-MRXNPFEDSA-N 2 0 319.449 0.845 20 30 DCEDRP C#CC[N@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407379 695020173 /nfs/dbraw/zinc/02/01/73/695020173.db2.gz BMJWFXPSFLKLIN-GOEBONIOSA-N 2 0 305.422 0.263 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC001571456915 1162767962 /nfs/dbraw/zinc/76/79/62/1162767962.db2.gz LLLNROLDKQKBCC-HIFRSBDPSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CC[N@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001571525687 1162796220 /nfs/dbraw/zinc/79/62/20/1162796220.db2.gz VRZUSMPDULCTDO-ZBFHGGJFSA-N 2 0 307.438 0.700 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001691450141 1157777494 /nfs/dbraw/zinc/77/74/94/1157777494.db2.gz JNZALESVDOJGPL-QLFBSQMISA-N 2 0 322.453 0.257 20 30 DCEDRP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001691528984 1158216889 /nfs/dbraw/zinc/21/68/89/1158216889.db2.gz VMOSFHFYCBBGMD-IAGOWNOFSA-N 2 0 319.449 0.247 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC#CCOC)C2)CC[N@@H+]1C ZINC001691705899 1158913642 /nfs/dbraw/zinc/91/36/42/1158913642.db2.gz FIUPBIKBJKOLNZ-VVLHAWIVSA-N 2 0 321.465 0.851 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001248690123 1159137063 /nfs/dbraw/zinc/13/70/63/1159137063.db2.gz IJXPDVLPBJTWAI-KGLIPLIRSA-N 2 0 310.467 0.430 20 30 DCEDRP C#CCC[NH2+][C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC001566714093 1160135575 /nfs/dbraw/zinc/13/55/75/1160135575.db2.gz HYAOXZDZFYKJIS-MRXNPFEDSA-N 2 0 321.465 0.853 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001566913111 1160182478 /nfs/dbraw/zinc/18/24/78/1160182478.db2.gz LPWPJUJGWWFDGY-IAGOWNOFSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001567148108 1160256764 /nfs/dbraw/zinc/25/67/64/1160256764.db2.gz OBCJKSTVDXYGFT-ZIAGYGMSSA-N 2 0 310.442 0.067 20 30 DCEDRP COCC#CC[N@H+](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001567312432 1160308894 /nfs/dbraw/zinc/30/88/94/1160308894.db2.gz XLSDHEXAWBAPFX-UHFFFAOYSA-N 2 0 309.454 0.805 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CCCC1 ZINC001568246483 1160611841 /nfs/dbraw/zinc/61/18/41/1160611841.db2.gz LRXWFRNHDZZYRZ-MRXNPFEDSA-N 2 0 321.465 0.997 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001569327577 1161013522 /nfs/dbraw/zinc/01/35/22/1161013522.db2.gz OHWHMSCHXASUQJ-OAHLLOKOSA-N 2 0 305.422 0.216 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001570089971 1161420424 /nfs/dbraw/zinc/42/04/24/1161420424.db2.gz BNJPWYAUXRHIFN-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC001570142621 1161438857 /nfs/dbraw/zinc/43/88/57/1161438857.db2.gz QLPRNCZJVUBACJ-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[N@@H+](C)CCCN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001570197069 1161486675 /nfs/dbraw/zinc/48/66/75/1161486675.db2.gz WGRIHDWHPHHQBW-UHFFFAOYSA-N 2 0 305.426 0.472 20 30 DCEDRP C=C(C)CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001570294555 1161551822 /nfs/dbraw/zinc/55/18/22/1161551822.db2.gz WOXSOPBRMGXWLS-NVXWUHKLSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CCN(C)c1nnc(C2CC[NH2+]CC2)n1C[C@@H](C)[NH+](C)C ZINC001574603670 1163734491 /nfs/dbraw/zinc/73/44/91/1163734491.db2.gz CQKVFQODYSKOOO-CYBMUJFWSA-N 2 0 304.442 0.765 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC001574674222 1163739116 /nfs/dbraw/zinc/73/91/16/1163739116.db2.gz WXWMPKIHPLOYHC-MRXNPFEDSA-N 2 0 318.465 0.228 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]1[NH+]1CCC(O)CC1 ZINC001574852355 1163771393 /nfs/dbraw/zinc/77/13/93/1163771393.db2.gz RQHJBUPPKDEGDM-BFHYXJOUSA-N 2 0 315.845 0.950 20 30 DCEDRP C=CC[C@H](C(=O)OC)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001574890011 1163786302 /nfs/dbraw/zinc/78/63/02/1163786302.db2.gz VZEPNEMXTBEIDS-QLFBSQMISA-N 2 0 323.437 0.684 20 30 DCEDRP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc1 ZINC001579198834 1165235187 /nfs/dbraw/zinc/23/51/87/1165235187.db2.gz DBLRXQUZINVXKP-KBMXLJTQSA-N 2 0 316.405 0.962 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1OCC ZINC001656474958 1173865268 /nfs/dbraw/zinc/86/52/68/1173865268.db2.gz CTVUUFCUZQRWCX-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001662651240 1174228679 /nfs/dbraw/zinc/22/86/79/1174228679.db2.gz WIPOHCZZABWMLX-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001662681089 1174232186 /nfs/dbraw/zinc/23/21/86/1174232186.db2.gz YAHZJOSFBLBHII-LSDHHAIUSA-N 2 0 322.453 0.163 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001666417666 1174602131 /nfs/dbraw/zinc/60/21/31/1174602131.db2.gz JTPXZVHBLBRJFA-IAGOWNOFSA-N 2 0 319.449 0.559 20 30 DCEDRP COCC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001668829012 1174846620 /nfs/dbraw/zinc/84/66/20/1174846620.db2.gz VNSOHOAOHJZJJV-WOMSROEHSA-N 2 0 305.422 0.240 20 30 DCEDRP C=CCC[NH+]1CCN([C@@H]2CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001673352496 1175195205 /nfs/dbraw/zinc/19/52/05/1175195205.db2.gz MYHDANNQSMSTSW-MRXNPFEDSA-N 2 0 308.470 0.733 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001673402802 1175200678 /nfs/dbraw/zinc/20/06/78/1175200678.db2.gz XOFADORCBDBFFH-HNNXBMFYSA-N 2 0 324.469 0.601 20 30 DCEDRP C=CCOCC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001673897951 1175238673 /nfs/dbraw/zinc/23/86/73/1175238673.db2.gz IMJABGYAPLRIQQ-ZBFHGGJFSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001674085376 1175252225 /nfs/dbraw/zinc/25/22/25/1175252225.db2.gz SOZTVICWZPLHKI-MRXNPFEDSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001674392825 1175272880 /nfs/dbraw/zinc/27/28/80/1175272880.db2.gz BNJPWYAUXRHIFN-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001675903352 1175402034 /nfs/dbraw/zinc/40/20/34/1175402034.db2.gz LFAONEJCBHBPRU-NVXWUHKLSA-N 2 0 321.465 0.853 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001677125986 1175531801 /nfs/dbraw/zinc/53/18/01/1175531801.db2.gz RMAWMFOQXMHZIG-QGZVFWFLSA-N 2 0 317.433 0.794 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001689019512 1176676429 /nfs/dbraw/zinc/67/64/29/1176676429.db2.gz WVLCYJRGWKNGDH-SOUVJXGZSA-N 2 0 322.453 0.115 20 30 DCEDRP CC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001689203807 1176739924 /nfs/dbraw/zinc/73/99/24/1176739924.db2.gz BRWJFWQLFONHCP-KRWDZBQOSA-N 2 0 321.465 0.779 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001690073587 1177162981 /nfs/dbraw/zinc/16/29/81/1177162981.db2.gz ZBDCEPUAFJIPKO-QGZVFWFLSA-N 2 0 320.481 0.638 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001690156285 1177182477 /nfs/dbraw/zinc/18/24/77/1177182477.db2.gz LSZBDYSOLDQUEG-OAHLLOKOSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCOCC)C2)CC1 ZINC001690260076 1177198650 /nfs/dbraw/zinc/19/86/50/1177198650.db2.gz SZTCMURMMIWTAP-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCOC)C2)CC1 ZINC001690787594 1177326224 /nfs/dbraw/zinc/32/62/24/1177326224.db2.gz JVXJECYENNRWFS-SJORKVTESA-N 2 0 321.465 0.995 20 30 DCEDRP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001692135892 1177424238 /nfs/dbraw/zinc/42/42/38/1177424238.db2.gz GJJUQTRSJZFRFJ-LBPRGKRZSA-N 2 0 319.409 0.416 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001699196422 1177930709 /nfs/dbraw/zinc/93/07/09/1177930709.db2.gz AKMIUZLKIZPNMU-UHFFFAOYSA-N 2 0 322.453 0.048 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001699756683 1178277518 /nfs/dbraw/zinc/27/75/18/1178277518.db2.gz QYZNSDNNVBJODR-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CCO)CC1 ZINC001699782523 1178285682 /nfs/dbraw/zinc/28/56/82/1178285682.db2.gz MJPMEYUJAGPSHE-GDBMZVCRSA-N 2 0 307.438 0.245 20 30 DCEDRP COCC#CC[N@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001699991222 1178408455 /nfs/dbraw/zinc/40/84/55/1178408455.db2.gz YUCHGXMUFFPPBS-IYBDPMFKSA-N 2 0 317.433 0.122 20 30 DCEDRP C=CC[NH2+]CCN(CCO)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001700038426 1178453367 /nfs/dbraw/zinc/45/33/67/1178453367.db2.gz HWRZAFZMCWDBGM-INIZCTEOSA-N 2 0 315.433 0.795 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@H](C[NH2+]CCF)C2)CC1 ZINC001700169124 1178513209 /nfs/dbraw/zinc/51/32/09/1178513209.db2.gz TUVAIQPLSXOZNG-OAHLLOKOSA-N 2 0 311.401 0.118 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]CC#CC)C2)CC1 ZINC001700275993 1178563776 /nfs/dbraw/zinc/56/37/76/1178563776.db2.gz FNHWGYLACHCZIW-DOTOQJQBSA-N 2 0 301.434 0.791 20 30 DCEDRP C=CCOCC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001700546236 1178653373 /nfs/dbraw/zinc/65/33/73/1178653373.db2.gz OSWVQCFONVQJQG-HUUCEWRRSA-N 2 0 309.454 0.967 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001700594458 1178671223 /nfs/dbraw/zinc/67/12/23/1178671223.db2.gz IZIVRXMJYVOOTE-PHZGNYQRSA-N 2 0 319.449 0.272 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC#CCOC)[C@H]1C ZINC001700826939 1178766265 /nfs/dbraw/zinc/76/62/65/1178766265.db2.gz WQRHYQSYVKAGBE-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001700966452 1178847769 /nfs/dbraw/zinc/84/77/69/1178847769.db2.gz WHQVEPNCLOWBBC-JKSUJKDBSA-N 2 0 309.454 0.493 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001713077812 1180668978 /nfs/dbraw/zinc/66/89/78/1180668978.db2.gz TYLWWAFGNIUZMC-MRXNPFEDSA-N 2 0 308.470 0.638 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+][C@@H](C)COC)C2)CC1 ZINC001713363878 1180786728 /nfs/dbraw/zinc/78/67/28/1180786728.db2.gz DVEZRFIXVMTZKB-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)CCOC)C2)CC1 ZINC001713401170 1180799929 /nfs/dbraw/zinc/79/99/29/1180799929.db2.gz OOGITEJFYIKVAJ-QGZVFWFLSA-N 2 0 321.465 0.901 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC#CCOC)C1CC1 ZINC001713868164 1181121798 /nfs/dbraw/zinc/12/17/98/1181121798.db2.gz NRHDTAWARMGCMG-SJORKVTESA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001713888709 1181130154 /nfs/dbraw/zinc/13/01/54/1181130154.db2.gz ADEXMYOKNJGXCF-IRXDYDNUSA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CCN1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001713940220 1181163345 /nfs/dbraw/zinc/16/33/45/1181163345.db2.gz ZMKVORBMTWRURQ-GJZGRUSLSA-N 2 0 303.406 0.017 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)CC[N@@H+](C)CC)C2)C1=O ZINC001714015724 1181204341 /nfs/dbraw/zinc/20/43/41/1181204341.db2.gz NAHXTBIIVDMVHX-QLFBSQMISA-N 2 0 322.453 0.352 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001714093202 1181240487 /nfs/dbraw/zinc/24/04/87/1181240487.db2.gz CMHLFNSGBLXORH-CABCVRRESA-N 2 0 322.453 0.069 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001714892393 1181591047 /nfs/dbraw/zinc/59/10/47/1181591047.db2.gz XVPWAZONBGAJQK-MRXNPFEDSA-N 2 0 308.470 0.590 20 30 DCEDRP C=C(C)C[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001715608547 1181895492 /nfs/dbraw/zinc/89/54/92/1181895492.db2.gz OHVIWBLQWWSRMA-INIZCTEOSA-N 2 0 309.454 0.751 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001715961632 1182122014 /nfs/dbraw/zinc/12/20/14/1182122014.db2.gz PWHRWDHGOQAEAH-HUUCEWRRSA-N 2 0 324.469 0.457 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCOCC1 ZINC001716907417 1182564505 /nfs/dbraw/zinc/56/45/05/1182564505.db2.gz AVVJDBOHJIPBGN-HNNXBMFYSA-N 2 0 307.438 0.607 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001716992552 1182614913 /nfs/dbraw/zinc/61/49/13/1182614913.db2.gz UULCKMPRMRKXEI-CABCVRRESA-N 2 0 307.438 0.415 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001717186173 1182718312 /nfs/dbraw/zinc/71/83/12/1182718312.db2.gz KAARYIZAGZUTPP-INIZCTEOSA-N 2 0 307.438 0.703 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC#CCOC)C2)CC[N@@H+]1C ZINC001717640591 1182935398 /nfs/dbraw/zinc/93/53/98/1182935398.db2.gz DRKNXWMSFIMOSA-LUKYLMHMSA-N 2 0 321.465 0.851 20 30 DCEDRP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001717938145 1183076285 /nfs/dbraw/zinc/07/62/85/1183076285.db2.gz GCRRKIVGDIELTR-OWCLPIDISA-N 2 0 309.454 0.491 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C ZINC001717967689 1183090657 /nfs/dbraw/zinc/09/06/57/1183090657.db2.gz KLUPXFPGAJUTQL-UONOGXRCSA-N 2 0 324.469 0.197 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]C[C@H](C)O)CC1 ZINC001723981570 1184365088 /nfs/dbraw/zinc/36/50/88/1184365088.db2.gz HGNZTADVJVRJSX-HOCLYGCPSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[N@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001724402669 1184431771 /nfs/dbraw/zinc/43/17/71/1184431771.db2.gz RIVKTSFODXCHCJ-KRWDZBQOSA-N 2 0 305.422 0.049 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@@H](C[NH2+]CCCO)C2)CC1 ZINC001724610987 1184472537 /nfs/dbraw/zinc/47/25/37/1184472537.db2.gz XCJCMUDJVJAGBP-RDJZCZTQSA-N 2 0 321.465 0.398 20 30 DCEDRP C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001724840648 1184588596 /nfs/dbraw/zinc/58/85/96/1184588596.db2.gz XYKHGPJUUDMOMY-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001724842837 1184588798 /nfs/dbraw/zinc/58/87/98/1184588798.db2.gz JITIJFRUQJGKEA-HOTGVXAUSA-N 2 0 307.438 0.559 20 30 DCEDRP C[N@@H+]1CC[C@@H](C(=O)NCCCCC[NH+]2CCN(CC#N)CC2)C1 ZINC001725014359 1184655967 /nfs/dbraw/zinc/65/59/67/1184655967.db2.gz LIELSTGFUKABTF-MRXNPFEDSA-N 2 0 321.469 0.366 20 30 DCEDRP C=CCC[NH+]1CCC(CO)(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001725020538 1184658433 /nfs/dbraw/zinc/65/84/33/1184658433.db2.gz HGXFRUGQAZKRPC-UHFFFAOYSA-N 2 0 309.454 0.847 20 30 DCEDRP COCC#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001725780590 1184991627 /nfs/dbraw/zinc/99/16/27/1184991627.db2.gz GPWHEHRVFCCNOO-UYSNPLJNSA-N 2 0 307.438 0.700 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001731478477 1185351714 /nfs/dbraw/zinc/35/17/14/1185351714.db2.gz ALEVTXNCLHIXCT-BYNSBNAKSA-N 2 0 322.453 0.398 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001731500751 1185362685 /nfs/dbraw/zinc/36/26/85/1185362685.db2.gz WVCVVIYQAZAZMC-HUUCEWRRSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001731500750 1185363616 /nfs/dbraw/zinc/36/36/16/1185363616.db2.gz WVCVVIYQAZAZMC-GJZGRUSLSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001731694136 1185446980 /nfs/dbraw/zinc/44/69/80/1185446980.db2.gz IBJBEHUOTYQSCZ-GJZGRUSLSA-N 2 0 322.453 0.095 20 30 DCEDRP COCC#CC[NH2+]CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001732303055 1185761216 /nfs/dbraw/zinc/76/12/16/1185761216.db2.gz IILBUYAGPIGTIU-UHFFFAOYSA-N 2 0 321.465 0.950 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC#CCOC ZINC001732374462 1185784449 /nfs/dbraw/zinc/78/44/49/1185784449.db2.gz WMZDSKXODVWAMR-CVEARBPZSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C)[C@H]2C[NH2+]CCO)CC1 ZINC001732545651 1185847491 /nfs/dbraw/zinc/84/74/91/1185847491.db2.gz UHQOKBBAWBIJGI-DOTOQJQBSA-N 2 0 321.465 0.541 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1=O ZINC001732983356 1186091385 /nfs/dbraw/zinc/09/13/85/1186091385.db2.gz JNNNSINVCVLGIR-ZIAGYGMSSA-N 2 0 310.442 0.208 20 30 DCEDRP CC1CC[NH+](CC(=O)NCC[NH+]2CCC(NCC#N)CC2)CC1 ZINC001733583195 1186341910 /nfs/dbraw/zinc/34/19/10/1186341910.db2.gz CBJXITLTJAUCHF-UHFFFAOYSA-N 2 0 321.469 0.412 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001733888482 1186487881 /nfs/dbraw/zinc/48/78/81/1186487881.db2.gz GQNSDTMRTHGPJX-MRXNPFEDSA-N 2 0 321.465 0.827 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001734340054 1186618053 /nfs/dbraw/zinc/61/80/53/1186618053.db2.gz DPMVAMXROQDUHN-ZDUSSCGKSA-N 2 0 310.442 0.067 20 30 DCEDRP C=CCC[NH2+][C@H](CO)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001734373726 1186631366 /nfs/dbraw/zinc/63/13/66/1186631366.db2.gz NLORLBXSDONBPV-ZDUSSCGKSA-N 2 0 302.378 0.899 20 30 DCEDRP CC#CC[NH2+]C1CC(N(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001734602515 1186699878 /nfs/dbraw/zinc/69/98/78/1186699878.db2.gz GCXHODHKFIJNNR-FHERZECASA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001752959327 1188468471 /nfs/dbraw/zinc/46/84/71/1188468471.db2.gz QICYVHAZLFIDCC-CABCVRRESA-N 2 0 322.453 0.069 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001753642574 1188628777 /nfs/dbraw/zinc/62/87/77/1188628777.db2.gz FWLZXVDXCLBEQE-HUUCEWRRSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2cnc(C)o2)CC1 ZINC001754254453 1188800376 /nfs/dbraw/zinc/80/03/76/1188800376.db2.gz CAPPXRUZLLOPTE-CYBMUJFWSA-N 2 0 318.421 0.923 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001754756208 1188924385 /nfs/dbraw/zinc/92/43/85/1188924385.db2.gz JCZMEDBZKHEHKV-QGZVFWFLSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001755182105 1189049532 /nfs/dbraw/zinc/04/95/32/1189049532.db2.gz HHQKDOQKTSFHTD-IYBDPMFKSA-N 2 0 321.465 0.826 20 30 DCEDRP CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001755458856 1189118650 /nfs/dbraw/zinc/11/86/50/1189118650.db2.gz DVWTUYXUKLWXMW-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)CC[N@@H+](C)CC)CC2 ZINC001755464572 1189119208 /nfs/dbraw/zinc/11/92/08/1189119208.db2.gz ZZDBUEGGDDYNOL-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP N#Cc1c2c(cnc1N1CCN3CC[NH2+]C[C@@H]3C1)C[NH2+]CCC2 ZINC001164392839 718828678 /nfs/dbraw/zinc/82/86/78/718828678.db2.gz ROZSRLQZKWSYFJ-CQSZACIVSA-N 2 0 312.421 0.083 20 30 DCEDRP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001077553736 751450537 /nfs/dbraw/zinc/45/05/37/751450537.db2.gz QGRQIWHLPZRKPM-ARFHVFGLSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609419 752147819 /nfs/dbraw/zinc/14/78/19/752147819.db2.gz QYDVPHRTYIKVCA-SJLPKXTDSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861660 747292470 /nfs/dbraw/zinc/29/24/70/747292470.db2.gz XXNFCCCXAUWRCH-RDJZCZTQSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+]CCOC)CC2)CC1 ZINC001168308847 749907966 /nfs/dbraw/zinc/90/79/66/749907966.db2.gz XWFRMKMBTMKYIO-UHFFFAOYSA-N 2 0 321.465 0.854 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001168320828 749915319 /nfs/dbraw/zinc/91/53/19/749915319.db2.gz RHQDWZYOKXTIQL-UHFFFAOYSA-N 2 0 324.469 0.505 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757095 749978017 /nfs/dbraw/zinc/97/80/17/749978017.db2.gz ICBRBDGXAFSVCL-YOUGENKZSA-N 2 0 317.433 0.452 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757220 749979011 /nfs/dbraw/zinc/97/90/11/749979011.db2.gz NYHLZLRYRMKKJL-YOUGENKZSA-N 2 0 317.433 0.452 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC001088912825 750723488 /nfs/dbraw/zinc/72/34/88/750723488.db2.gz SWIOUBPFTVIBDT-ZBFHGGJFSA-N 2 0 317.437 0.661 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC001115013204 762118486 /nfs/dbraw/zinc/11/84/86/762118486.db2.gz IFFAAHIFKJICPQ-VQFNDLOPSA-N 2 0 319.449 0.415 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001077923980 752870707 /nfs/dbraw/zinc/87/07/07/752870707.db2.gz MKFLFQYEGWMKTR-HZPDHXFCSA-N 2 0 309.454 0.844 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001046035361 753437482 /nfs/dbraw/zinc/43/74/82/753437482.db2.gz JYULYZUEEWJJAZ-IAGOWNOFSA-N 2 0 318.465 0.178 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001046035363 753437795 /nfs/dbraw/zinc/43/77/95/753437795.db2.gz JYULYZUEEWJJAZ-SJORKVTESA-N 2 0 318.465 0.178 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046082642 753472592 /nfs/dbraw/zinc/47/25/92/753472592.db2.gz UXPAEWZIZAXPPL-QGZVFWFLSA-N 2 0 318.465 0.324 20 30 DCEDRP C#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046501290 753752831 /nfs/dbraw/zinc/75/28/31/753752831.db2.gz MZKHXHWMCHEGET-BYLPVYNFSA-N 2 0 303.406 0.063 20 30 DCEDRP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001047401611 754248422 /nfs/dbraw/zinc/24/84/22/754248422.db2.gz YVDXPZZSGZTPKH-PMPSAXMXSA-N 2 0 309.454 0.940 20 30 DCEDRP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001047409030 754256348 /nfs/dbraw/zinc/25/63/48/754256348.db2.gz LLSMFDCVYMDRSH-PMPSAXMXSA-N 2 0 309.454 0.939 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCC[N@H+]2CCC)C1=O ZINC001128782641 754279265 /nfs/dbraw/zinc/27/92/65/754279265.db2.gz ADIWEILVURAKNJ-LSDHHAIUSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+](CCC=C)C[C@@H]2O)CC1 ZINC001047638368 754453798 /nfs/dbraw/zinc/45/37/98/754453798.db2.gz PHADMLOZYXASDW-IRXDYDNUSA-N 2 0 319.449 0.411 20 30 DCEDRP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048834136 754967367 /nfs/dbraw/zinc/96/73/67/754967367.db2.gz ZVCOMEPLZCFEFL-XUWVNRHRSA-N 2 0 305.422 0.426 20 30 DCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4[nH]c(C)nc4C3)C[C@H]2C1 ZINC001048904493 755008782 /nfs/dbraw/zinc/00/87/82/755008782.db2.gz UFMIFEUAUCIGRI-KFWWJZLASA-N 2 0 312.417 0.846 20 30 DCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@H]2C1 ZINC001048959759 755041066 /nfs/dbraw/zinc/04/10/66/755041066.db2.gz MUUYBJLSKHCTEM-BBWFWOEESA-N 2 0 301.434 0.884 20 30 DCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081672971 756752085 /nfs/dbraw/zinc/75/20/85/756752085.db2.gz QYRCEPHCJYPQJY-ARFHVFGLSA-N 2 0 307.438 0.720 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC=C)C[C@H]2OC)CC1 ZINC001082383149 757090324 /nfs/dbraw/zinc/09/03/24/757090324.db2.gz KKZIBMKTRZHFEI-IAGOWNOFSA-N 2 0 319.449 0.723 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCC)C[C@@H]2O)CC1 ZINC001084090275 757667827 /nfs/dbraw/zinc/66/78/27/757667827.db2.gz RQUJLFCMVJTZBL-CVEARBPZSA-N 2 0 307.438 0.293 20 30 DCEDRP C[NH+](C)CCOCC(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001147842115 767857472 /nfs/dbraw/zinc/85/74/72/767857472.db2.gz NKKPWDHGWJWQFT-UHFFFAOYSA-N 2 0 304.394 0.342 20 30 DCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001155313726 759739887 /nfs/dbraw/zinc/73/98/87/759739887.db2.gz FYQOTWPQJRSDDA-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977326 767890337 /nfs/dbraw/zinc/89/03/37/767890337.db2.gz OCTFYWGDPZFTCK-UHFFFAOYSA-N 2 0 322.453 0.213 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001086387116 760124424 /nfs/dbraw/zinc/12/44/24/760124424.db2.gz SBUPAVHWXYKVFC-BFYDXBDKSA-N 2 0 319.449 0.747 20 30 DCEDRP C#CC[N@H+]1CCC2(CN(C(=O)COC[C@@H](C)[NH+]3CCCC3)C2)C1 ZINC001148305417 767956062 /nfs/dbraw/zinc/95/60/62/767956062.db2.gz ZRIWRCBCNYUMPQ-MRXNPFEDSA-N 2 0 319.449 0.655 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001148292808 767960161 /nfs/dbraw/zinc/96/01/61/767960161.db2.gz UPCMOJMWTSGXHE-JKSUJKDBSA-N 2 0 319.449 0.368 20 30 DCEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001112564236 761694924 /nfs/dbraw/zinc/69/49/24/761694924.db2.gz KHYOIIADLPIPIJ-YJBOKZPZSA-N 2 0 301.434 0.934 20 30 DCEDRP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@H](C)O2 ZINC001071228433 761725201 /nfs/dbraw/zinc/72/52/01/761725201.db2.gz UPOOMACJGUQZHJ-YJBOKZPZSA-N 2 0 317.433 0.407 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129449872 762938546 /nfs/dbraw/zinc/93/85/46/762938546.db2.gz QUFMOLAVYSLQAA-INIZCTEOSA-N 2 0 322.453 0.233 20 30 DCEDRP C=C(Cl)CN1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879613 763096403 /nfs/dbraw/zinc/09/64/03/763096403.db2.gz MYOVBRGDEHJNBM-KGLIPLIRSA-N 2 0 315.845 0.775 20 30 DCEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130107747 763128624 /nfs/dbraw/zinc/12/86/24/763128624.db2.gz ZKJQOSAKZMMKMB-CABCVRRESA-N 2 0 320.441 0.538 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100014082 763218799 /nfs/dbraw/zinc/21/87/99/763218799.db2.gz YJMRPSIDYNMPNZ-GJZGRUSLSA-N 2 0 309.454 0.539 20 30 DCEDRP C=CCOCC[N@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100041594 763247615 /nfs/dbraw/zinc/24/76/15/763247615.db2.gz LKMCDCYKBLVCBC-GJZGRUSLSA-N 2 0 313.442 0.082 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001100676905 763716473 /nfs/dbraw/zinc/71/64/73/763716473.db2.gz URXOLCNWOOBGSO-QQFBHYJXSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131564785 763869364 /nfs/dbraw/zinc/86/93/64/763869364.db2.gz VYFXKAQDJOFLCC-AEFFLSMTSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366605 764615530 /nfs/dbraw/zinc/61/55/30/764615530.db2.gz KZUUVLIAZYLKTN-BRWVUGGUSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285727 764905963 /nfs/dbraw/zinc/90/59/63/764905963.db2.gz GFMUKTBTPSRHHL-UHFFFAOYSA-N 2 0 322.453 0.235 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134766256 765660935 /nfs/dbraw/zinc/66/09/35/765660935.db2.gz FTFRQHWTGKARSZ-CABCVRRESA-N 2 0 322.453 0.093 20 30 DCEDRP COCC#CC[NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135333705 765896223 /nfs/dbraw/zinc/89/62/23/765896223.db2.gz CUNXMGRPMHWJCL-UHFFFAOYSA-N 2 0 303.406 0.717 20 30 DCEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135651506 766023148 /nfs/dbraw/zinc/02/31/48/766023148.db2.gz LYTAGRGABQDNGP-LSDHHAIUSA-N 2 0 319.453 0.955 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135966257 766188585 /nfs/dbraw/zinc/18/85/85/766188585.db2.gz LRXSMTLCLFKQOA-GJZGRUSLSA-N 2 0 324.469 0.341 20 30 DCEDRP C=CC[NH2+]C1CC(CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001091032669 766853766 /nfs/dbraw/zinc/85/37/66/766853766.db2.gz AAESDWPUHRMMEJ-UHFFFAOYSA-N 2 0 305.426 0.729 20 30 DCEDRP COCC#CC[NH2+]CCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001147411018 767743742 /nfs/dbraw/zinc/74/37/42/767743742.db2.gz YALNPLXGPMGWTJ-SFHVURJKSA-N 2 0 317.433 0.819 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001122247428 767750917 /nfs/dbraw/zinc/75/09/17/767750917.db2.gz FWHSDDGHDYINBL-HUUCEWRRSA-N 2 0 307.463 0.685 20 30 DCEDRP C#CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001151307641 769308298 /nfs/dbraw/zinc/30/82/98/769308298.db2.gz BPDCYKZLZQIQEU-JKSUJKDBSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151365878 769322890 /nfs/dbraw/zinc/32/28/90/769322890.db2.gz DTYIEDQNXUAHKI-HNNXBMFYSA-N 2 0 324.469 0.649 20 30 DCEDRP C#CC[NH+]1CCC(CCOC)(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001151403013 769330826 /nfs/dbraw/zinc/33/08/26/769330826.db2.gz RFUWMAHPUKCSKW-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cncs2)CC1 ZINC001152330711 769529377 /nfs/dbraw/zinc/52/93/77/769529377.db2.gz TUGGIUXYPFUIFC-UHFFFAOYSA-N 2 0 306.435 0.694 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cnc(C)cn2)CC1 ZINC001152330700 769529441 /nfs/dbraw/zinc/52/94/41/769529441.db2.gz SPUSPRULEXXLCY-UHFFFAOYSA-N 2 0 315.421 0.336 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176754055 770167980 /nfs/dbraw/zinc/16/79/80/770167980.db2.gz QMDZHPQSFHPFJP-HNNXBMFYSA-N 2 0 324.469 0.341 20 30 DCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001154396400 770168068 /nfs/dbraw/zinc/16/80/68/770168068.db2.gz HWVNNKGZPMMOEB-GJEMEMOUSA-N 2 0 305.422 0.309 20 30 DCEDRP N#Cc1cc(-c2cnn(C3C[NH2+]C3)c2)ccc1N1CC[NH2+]CC1 ZINC001241602617 770269185 /nfs/dbraw/zinc/26/91/85/770269185.db2.gz IZWYPMVLPNFWCI-UHFFFAOYSA-N 2 0 308.389 0.976 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001178716752 770849042 /nfs/dbraw/zinc/84/90/42/770849042.db2.gz WHJMEWMRPISZGH-UAGQMJEPSA-N 2 0 319.449 0.557 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001178985682 770922522 /nfs/dbraw/zinc/92/25/22/770922522.db2.gz UFFHTHSKHGFZLZ-ZQDZILKHSA-N 2 0 322.453 0.044 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001179968160 771048422 /nfs/dbraw/zinc/04/84/22/771048422.db2.gz NMMBOWDYIIZQBF-GJZGRUSLSA-N 2 0 324.469 0.600 20 30 DCEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157369845 771597022 /nfs/dbraw/zinc/59/70/22/771597022.db2.gz XSKISHGRLRNIKQ-DVOMOZLQSA-N 2 0 308.426 0.126 20 30 DCEDRP C=C(C[NH+]1CCCC1)C(=O)NC1(C(=O)OCC)CC[NH+](C)CC1 ZINC001183085501 771602083 /nfs/dbraw/zinc/60/20/83/771602083.db2.gz AHFVPIQGKJRJQJ-UHFFFAOYSA-N 2 0 323.437 0.782 20 30 DCEDRP Cc1c(CC[NH3+])c(=O)[nH]n1-c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001159292080 771891369 /nfs/dbraw/zinc/89/13/69/771891369.db2.gz BYCOOKPPVKSKCZ-UHFFFAOYSA-N 2 0 312.377 0.690 20 30 DCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001185743546 771952059 /nfs/dbraw/zinc/95/20/59/771952059.db2.gz VZJOMAUWRXYNFB-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159861656 771969653 /nfs/dbraw/zinc/96/96/53/771969653.db2.gz PUGWRZCUGUHTFF-CYBMUJFWSA-N 2 0 310.442 0.257 20 30 DCEDRP C#CC[NH2+][C@H]1CCCO[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001186146527 772012162 /nfs/dbraw/zinc/01/21/62/772012162.db2.gz LGPJURHPIXUBHR-FUHWJXTLSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001160273428 772017602 /nfs/dbraw/zinc/01/76/02/772017602.db2.gz MLRGZGUECOACAI-HUUCEWRRSA-N 2 0 324.469 0.647 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001186234053 772018924 /nfs/dbraw/zinc/01/89/24/772018924.db2.gz FRADPKUWNGXFKK-OAHLLOKOSA-N 2 0 303.410 0.272 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC12CCOCC2 ZINC001186311009 772030914 /nfs/dbraw/zinc/03/09/14/772030914.db2.gz PONLROIACXBXTP-CVEARBPZSA-N 2 0 319.449 0.559 20 30 DCEDRP CO[C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2ccccc2C#N)C[C@@H]1[NH3+] ZINC001161493284 772233644 /nfs/dbraw/zinc/23/36/44/772233644.db2.gz JEVCNNRCERGBSS-FXUDXRNXSA-N 2 0 314.389 0.046 20 30 DCEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)N2C[C@@H]([NH3+])C3(COC3)C2)cc1 ZINC001161508642 772237118 /nfs/dbraw/zinc/23/71/18/772237118.db2.gz FPPNUFSZUSSMNK-ZIAGYGMSSA-N 2 0 300.362 0.134 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)C[N@@H+]2CCC[C@H]2C)(COC)CC1 ZINC001162482989 772378958 /nfs/dbraw/zinc/37/89/58/772378958.db2.gz ZPWAKTDIUVVAAY-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203699914 772448362 /nfs/dbraw/zinc/44/83/62/772448362.db2.gz WYPZUJJWSMQDHU-ZIAGYGMSSA-N 2 0 322.453 0.209 20 30 DCEDRP CN(C)/C=[NH+]/c1ccc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)cc1C#N ZINC001163252144 772491964 /nfs/dbraw/zinc/49/19/64/772491964.db2.gz FMDHZHCKIPWHTA-DNHMENHVSA-N 2 0 312.377 0.770 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001166744424 772855921 /nfs/dbraw/zinc/85/59/21/772855921.db2.gz VZYSOXOOXZQPQD-UHFFFAOYSA-N 2 0 312.458 0.362 20 30 DCEDRP COCC#CC[NH2+][C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203730451 772921881 /nfs/dbraw/zinc/92/18/81/772921881.db2.gz KVWOCCHNCLOTPF-CVEARBPZSA-N 2 0 319.449 0.749 20 30 DCEDRP COCC#CC[NH2+]CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001205457668 772993895 /nfs/dbraw/zinc/99/38/95/772993895.db2.gz JVHSHQHVVJNMIL-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+]CC1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001206696104 773100207 /nfs/dbraw/zinc/10/02/07/773100207.db2.gz PGLWBDVPGWWERO-UHFFFAOYSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208447963 773464546 /nfs/dbraw/zinc/46/45/46/773464546.db2.gz RVTQYLKMCWODSK-AWEZNQCLSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211267835 773787700 /nfs/dbraw/zinc/78/77/00/773787700.db2.gz DNIDXBMKGHTVMV-AWEZNQCLSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197819901 773812704 /nfs/dbraw/zinc/81/27/04/773812704.db2.gz QBISHRAFAYUZEQ-RRFJBIMHSA-N 2 0 307.438 0.598 20 30 DCEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2C)C1 ZINC001198672317 773963186 /nfs/dbraw/zinc/96/31/86/773963186.db2.gz MPUGVVDMLZTJQR-BPLDGKMQSA-N 2 0 306.410 0.708 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214889559 774022038 /nfs/dbraw/zinc/02/20/38/774022038.db2.gz MQSMGPHRSSJQSW-IXDOHACOSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)CCCO1 ZINC001200636322 774382370 /nfs/dbraw/zinc/38/23/70/774382370.db2.gz YAFUYRBFJKNZGI-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200805959 774411526 /nfs/dbraw/zinc/41/15/26/774411526.db2.gz NTCWKSKEHCAIGK-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[NH2+]C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001201066126 774441604 /nfs/dbraw/zinc/44/16/04/774441604.db2.gz GBXHGVUTYQGMEL-UHFFFAOYSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)CCCO1 ZINC001201391101 774505321 /nfs/dbraw/zinc/50/53/21/774505321.db2.gz XIEKZYWXZHNBMG-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCCCCC[C@H]([NH3+])C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617086 774558897 /nfs/dbraw/zinc/55/88/97/774558897.db2.gz IKJZDEFQGQDQJH-KCQAQPDRSA-N 2 0 301.406 0.629 20 30 DCEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201870838 774569870 /nfs/dbraw/zinc/56/98/70/774569870.db2.gz CCDHYVLXDPTQAO-OAHLLOKOSA-N 2 0 307.438 0.865 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCCO1 ZINC001202148273 774606994 /nfs/dbraw/zinc/60/69/94/774606994.db2.gz STMDMPKKBFYFCK-IAGOWNOFSA-N 2 0 321.465 0.947 20 30 DCEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)NC[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC001219812852 774616972 /nfs/dbraw/zinc/61/69/72/774616972.db2.gz JVBULIIPKHJTGS-UXLLHSPISA-N 2 0 314.389 0.300 20 30 DCEDRP C#CC[C@]1(C(=O)NC[C@H]2CC[NH2+][C@@H]2c2cccnc2)CCC[NH2+]1 ZINC001220788440 774915476 /nfs/dbraw/zinc/91/54/76/774915476.db2.gz DUPJKPOJCGGYBU-JFIYKMOQSA-N 2 0 312.417 0.994 20 30 DCEDRP N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC001220889586 774945343 /nfs/dbraw/zinc/94/53/43/774945343.db2.gz MSXWPARHSQMUML-COXVUDFISA-N 2 0 312.417 0.947 20 30 DCEDRP CC#CC[NH+]1CCC(NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001230275389 776273694 /nfs/dbraw/zinc/27/36/94/776273694.db2.gz OYOCMCQPLPDADJ-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C=C(C)CN1C[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273029558 945207191 /nfs/dbraw/zinc/20/71/91/945207191.db2.gz CYZUUYCYRPMMIH-QGZVFWFLSA-N 2 0 307.438 0.865 20 30 DCEDRP C=CCN1C(=O)COCC12C[NH+](CCC1CC[NH+](C)CC1)C2 ZINC001273038780 945212345 /nfs/dbraw/zinc/21/23/45/945212345.db2.gz IJAOLIWAKTZINB-UHFFFAOYSA-N 2 0 307.438 0.818 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266533612 939155003 /nfs/dbraw/zinc/15/50/03/939155003.db2.gz MYEFDNMKOZHVKU-KGLIPLIRSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CC[NH2+]C1CCN(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001279454156 939176852 /nfs/dbraw/zinc/17/68/52/939176852.db2.gz XGUHTABQTQECHT-HZPDHXFCSA-N 2 0 320.481 0.663 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001266883961 939265293 /nfs/dbraw/zinc/26/52/93/939265293.db2.gz IHJFEHGHAFCVJF-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+][C@@H](C)COC)CC1 ZINC001267154682 939361565 /nfs/dbraw/zinc/36/15/65/939361565.db2.gz IDZSGCZYHJAUSG-GJZGRUSLSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1=O ZINC001267429053 939454125 /nfs/dbraw/zinc/45/41/25/939454125.db2.gz MHURLDJNHQWDSZ-CABCVRRESA-N 2 0 322.453 0.163 20 30 DCEDRP C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001481118711 939569998 /nfs/dbraw/zinc/56/99/98/939569998.db2.gz LNZHOWLUXPVHTI-HNNXBMFYSA-N 2 0 307.438 0.723 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001481127003 939575029 /nfs/dbraw/zinc/57/50/29/939575029.db2.gz OKZLLOFACMSWDQ-HUUCEWRRSA-N 2 0 324.469 0.455 20 30 DCEDRP C=C(C)C[NH+]1CC(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001318129050 945271959 /nfs/dbraw/zinc/27/19/59/945271959.db2.gz GBVNLBOYDANTCZ-UHFFFAOYSA-N 2 0 309.454 0.969 20 30 DCEDRP C[NH+](C)CCCC(=O)NC[C@@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001268324472 940059091 /nfs/dbraw/zinc/05/90/91/940059091.db2.gz VCTLRCYUBSEYBD-KRWDZBQOSA-N 2 0 317.433 0.447 20 30 DCEDRP CC#CC[NH2+][C@@H](CC)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001481858683 940161237 /nfs/dbraw/zinc/16/12/37/940161237.db2.gz ZLZYESZGGNQWFX-HNNXBMFYSA-N 2 0 305.426 0.566 20 30 DCEDRP CC[C@H](C(=O)N[C@@](C)(C[NH2+]CC#CCOC)C1CC1)[NH+](C)C ZINC001481948029 940192758 /nfs/dbraw/zinc/19/27/58/940192758.db2.gz YTXCMGSBNTZNGY-WBVHZDCISA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC[C@@H](C)O)C2)CC1 ZINC001269200541 940645882 /nfs/dbraw/zinc/64/58/82/940645882.db2.gz XZLIHTFXKFUDBZ-NVXWUHKLSA-N 2 0 321.465 0.683 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001270193154 940852749 /nfs/dbraw/zinc/85/27/49/940852749.db2.gz HDYNKAYSQBTNSW-GJZGRUSLSA-N 2 0 324.469 0.598 20 30 DCEDRP CCOC(=O)C[C@H]([NH2+][C@H]1CCN[C@H](C#N)C1)C1CC[NH2+]CC1 ZINC001246226693 945367528 /nfs/dbraw/zinc/36/75/28/945367528.db2.gz IZUUMHLUZKXNKD-KKUMJFAQSA-N 2 0 308.426 0.542 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001271679250 941421658 /nfs/dbraw/zinc/42/16/58/941421658.db2.gz WVWDXUIHZXTRRP-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCNC(=O)CN(C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001272081108 941598101 /nfs/dbraw/zinc/59/81/01/941598101.db2.gz YEPLHXLZQYRUHT-UHFFFAOYSA-N 2 0 322.453 0.000 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001482768718 941663135 /nfs/dbraw/zinc/66/31/35/941663135.db2.gz XJGQQDJSVDIXGQ-QGZVFWFLSA-N 2 0 317.433 0.494 20 30 DCEDRP C=C(Cl)C[NH2+]CCN(CCO)C(=O)C[NH+]1CCC(C)CC1 ZINC001272284958 942662307 /nfs/dbraw/zinc/66/23/07/942662307.db2.gz WISFWZXXUHLWRY-UHFFFAOYSA-N 2 0 317.861 0.881 20 30 DCEDRP C#CCC[N@H+]1CC[C@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001484242113 943245691 /nfs/dbraw/zinc/24/56/91/943245691.db2.gz TXHUWNHGHBHICN-KRWDZBQOSA-N 2 0 307.438 0.295 20 30 DCEDRP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001484841654 943591442 /nfs/dbraw/zinc/59/14/42/943591442.db2.gz PEQAQZPECOFHJA-INMHGKMJSA-N 2 0 309.454 0.846 20 30 DCEDRP C=CC[N@H+]1C[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001485580300 944014227 /nfs/dbraw/zinc/01/42/27/944014227.db2.gz FTJGDLNZPJYTQW-GJZGRUSLSA-N 2 0 309.454 0.967 20 30 DCEDRP CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001276777566 944295091 /nfs/dbraw/zinc/29/50/91/944295091.db2.gz DREYXWSFFLPYDE-GDBMZVCRSA-N 2 0 307.438 0.700 20 30 DCEDRP CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](CC#CCOC)C2)C1)[NH+](C)C ZINC001277525201 944861305 /nfs/dbraw/zinc/86/13/05/944861305.db2.gz QQMXINVJGPWPMN-AEFFLSMTSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001486449827 944889986 /nfs/dbraw/zinc/88/99/86/944889986.db2.gz ROAIQNMJUDPVPO-HNNXBMFYSA-N 2 0 321.465 0.947 20 30 DCEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001317341451 944931559 /nfs/dbraw/zinc/93/15/59/944931559.db2.gz ACQSUCPYKMYGII-JKSUJKDBSA-N 2 0 309.454 0.969 20 30 DCEDRP CN(CC#Cc1ccccc1)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001317442129 944971978 /nfs/dbraw/zinc/97/19/78/944971978.db2.gz XQRMPGBCLPWVDO-QGZVFWFLSA-N 2 0 315.417 0.417 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001319271335 945538282 /nfs/dbraw/zinc/53/82/82/945538282.db2.gz YZALHGYRLQOLRW-UONOGXRCSA-N 2 0 322.453 0.115 20 30 DCEDRP C=CCO[C@H]1CCN(CC(O)C[N@@H+]2CC[C@H](OCC=C)C2)C1 ZINC001320859834 946043762 /nfs/dbraw/zinc/04/37/62/946043762.db2.gz XTEPNLOMLPUGKM-IRXDYDNUSA-N 2 0 310.438 0.901 20 30 DCEDRP C#CCN(CC#C)Cc1cn(CCCC[NH2+]CCC[NH3+])nn1 ZINC001254164177 946327572 /nfs/dbraw/zinc/32/75/72/946327572.db2.gz GYGPORGNGBNUED-UHFFFAOYSA-N 2 0 302.426 0.065 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CCO1 ZINC001273323478 946629517 /nfs/dbraw/zinc/62/95/17/946629517.db2.gz NTGQRILVGFPVHE-CVEARBPZSA-N 2 0 307.438 0.700 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CC1 ZINC001323100295 946932837 /nfs/dbraw/zinc/93/28/37/946932837.db2.gz OLVWXSMXYJFYNZ-AEFFLSMTSA-N 2 0 319.449 0.607 20 30 DCEDRP C#CCCN1CCN(c2nnnn2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001262213969 947606242 /nfs/dbraw/zinc/60/62/42/947606242.db2.gz DYKCGCOYCKNTSN-OAHLLOKOSA-N 2 0 317.441 0.303 20 30 DCEDRP C=C(C)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001325160013 947686938 /nfs/dbraw/zinc/68/69/38/947686938.db2.gz IVUSYOYPFGMESV-RDJZCZTQSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)[C@H]1C ZINC001179534263 947854065 /nfs/dbraw/zinc/85/40/65/947854065.db2.gz DNKMGFROLJOICE-ILXRZTDVSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001179554190 947869805 /nfs/dbraw/zinc/86/98/05/947869805.db2.gz UFFHTHSKHGFZLZ-QPSCCSFWSA-N 2 0 322.453 0.044 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001179553994 947870771 /nfs/dbraw/zinc/87/07/71/947870771.db2.gz JOHHGKAPTHHWJZ-AJNGGQMLSA-N 2 0 324.469 0.596 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192134250 947994665 /nfs/dbraw/zinc/99/46/65/947994665.db2.gz IKLPJHNOUNLVCE-INIZCTEOSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001327576401 948558342 /nfs/dbraw/zinc/55/83/42/948558342.db2.gz GBVNAHPKPDKRLM-FUHWJXTLSA-N 2 0 321.465 0.683 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001327898644 948656582 /nfs/dbraw/zinc/65/65/82/948656582.db2.gz CQGNOVHGMVTTHY-HOTGVXAUSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001264636171 949051382 /nfs/dbraw/zinc/05/13/82/949051382.db2.gz OVXRCWZNTRSCMY-MRXNPFEDSA-N 2 0 321.465 0.944 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CCOCC[N@@H+](C)CC)CC1 ZINC001264669352 949064512 /nfs/dbraw/zinc/06/45/12/949064512.db2.gz QTDGFKWJNNQMFD-UHFFFAOYSA-N 2 0 309.454 0.758 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC#CCOC)C2)CC[N@@H+]1C ZINC001488829973 949292186 /nfs/dbraw/zinc/29/21/86/949292186.db2.gz FIUPBIKBJKOLNZ-LUKYLMHMSA-N 2 0 321.465 0.851 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1OCC ZINC001489022118 949439538 /nfs/dbraw/zinc/43/95/38/949439538.db2.gz DFIDKIKHIJBGFC-ARFHVFGLSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCOC)C2)CC1 ZINC001265318863 949600260 /nfs/dbraw/zinc/60/02/60/949600260.db2.gz FGDUUXTUZBMTFZ-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001265501809 949732215 /nfs/dbraw/zinc/73/22/15/949732215.db2.gz SMJBIUVPZCZZPQ-QAQDUYKDSA-N 2 0 321.465 0.993 20 30 DCEDRP C=CCOCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001330274268 950244486 /nfs/dbraw/zinc/24/44/86/950244486.db2.gz GJNWOPRZEWOIOW-LVQVYYBASA-N 2 0 307.438 0.577 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001266172291 950440326 /nfs/dbraw/zinc/44/03/26/950440326.db2.gz CZUCRAYJJCQFNA-CYBMUJFWSA-N 2 0 310.442 0.115 20 30 DCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC001330640279 950565218 /nfs/dbraw/zinc/56/52/18/950565218.db2.gz DPHDRJFAWVKLTI-VWYCJHECSA-N 2 0 306.332 0.993 20 30 DCEDRP COCC#CC[N@H+](C)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001331054076 950861636 /nfs/dbraw/zinc/86/16/36/950861636.db2.gz OXNLDTRZUVBMGL-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]CCOCC)C2)CC1 ZINC001274300583 951548874 /nfs/dbraw/zinc/54/88/74/951548874.db2.gz XRTQYSVLLIEMJH-DOTOQJQBSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001332320234 951585836 /nfs/dbraw/zinc/58/58/36/951585836.db2.gz FLTGUSDDHIPMSQ-JKSUJKDBSA-N 2 0 319.449 0.607 20 30 DCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001274589088 951717623 /nfs/dbraw/zinc/71/76/23/951717623.db2.gz NKPOPJHLFYUBPX-UHFFFAOYSA-N 2 0 309.454 0.992 20 30 DCEDRP C=CCN1CC[C@]2(CC[N@@H+](C[C@H](O)C[NH+](CC)CC)C2)C1=O ZINC001274656841 951769549 /nfs/dbraw/zinc/76/95/49/951769549.db2.gz RXIRKXZMHYXSOA-WBVHZDCISA-N 2 0 309.454 0.800 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2cc(C)no2)CC1 ZINC001275039054 951941324 /nfs/dbraw/zinc/94/13/24/951941324.db2.gz PELSDFSHTHDBNN-CQSZACIVSA-N 2 0 318.421 0.923 20 30 DCEDRP [NH3+]Cc1nc2c(s1)CCN(C(=O)C#CC1CC[NH2+]CC1)C2 ZINC001333712370 952139493 /nfs/dbraw/zinc/13/94/93/952139493.db2.gz YQBZNLKXIZQSQM-UHFFFAOYSA-N 2 0 304.419 0.490 20 30 DCEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001335425629 952534914 /nfs/dbraw/zinc/53/49/14/952534914.db2.gz GASCHJPBADUIIX-OAHLLOKOSA-N 2 0 310.419 0.278 20 30 DCEDRP C#CCNC(=O)CC[NH2+][C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC001336814583 952769609 /nfs/dbraw/zinc/76/96/09/952769609.db2.gz QOYKXUJBQSDYAY-IYBDPMFKSA-N 2 0 306.454 0.274 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001336894220 952781151 /nfs/dbraw/zinc/78/11/51/952781151.db2.gz MNJXLHFQKPOAND-VXGBXAGGSA-N 2 0 320.359 0.863 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001338405789 953007279 /nfs/dbraw/zinc/00/72/79/953007279.db2.gz AVAMPWUHYUUGJN-UHFFFAOYSA-N 2 0 322.453 0.496 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001490822831 953049666 /nfs/dbraw/zinc/04/96/66/953049666.db2.gz OIRJWUIWUCHQPS-GJZGRUSLSA-N 2 0 322.453 0.352 20 30 DCEDRP CC[NH+]1CCN(CC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC001353273789 955999536 /nfs/dbraw/zinc/99/95/36/955999536.db2.gz QKEPEXUHCSXEPZ-QGZVFWFLSA-N 2 0 302.422 0.819 20 30 DCEDRP C=C(Br)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001367579170 958102483 /nfs/dbraw/zinc/10/24/83/958102483.db2.gz KPHZYXPDFVYNRR-QWRGUYRKSA-N 2 0 320.231 0.056 20 30 DCEDRP C=C(Br)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001367579171 958104518 /nfs/dbraw/zinc/10/45/18/958104518.db2.gz KPHZYXPDFVYNRR-WDEREUQCSA-N 2 0 320.231 0.056 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]C[C@H]2CCCCO2)CC1 ZINC001491682245 959043301 /nfs/dbraw/zinc/04/33/01/959043301.db2.gz JHIPIUZZYZLDPE-NVXWUHKLSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2cnn(C)c2)CC1 ZINC001491682249 959045342 /nfs/dbraw/zinc/04/53/42/959045342.db2.gz JLLNYWXBAJHNSN-CQSZACIVSA-N 2 0 317.437 0.360 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCO1 ZINC001368506408 959954455 /nfs/dbraw/zinc/95/44/55/959954455.db2.gz FFYHCLMWFIZKRD-OLZOCXBDSA-N 2 0 303.834 0.896 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001313438193 960302507 /nfs/dbraw/zinc/30/25/07/960302507.db2.gz JCOFJYUXGPERLP-UHFFFAOYSA-N 2 0 308.426 0.058 20 30 DCEDRP CC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001316749197 960361985 /nfs/dbraw/zinc/36/19/85/960361985.db2.gz SQFHBXKDVUHYEL-HOTGVXAUSA-N 2 0 307.438 0.247 20 30 DCEDRP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001379246785 962457289 /nfs/dbraw/zinc/45/72/89/962457289.db2.gz UNEQOFGFNWGGHE-HOTGVXAUSA-N 2 0 318.421 0.465 20 30 DCEDRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001369383184 964863798 /nfs/dbraw/zinc/86/37/98/964863798.db2.gz MOJNEXHNYHNZLU-JKSUJKDBSA-N 2 0 316.405 0.077 20 30 DCEDRP CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001382212578 967076932 /nfs/dbraw/zinc/07/69/32/967076932.db2.gz MQHMHWMEOUTTHW-HZPDHXFCSA-N 2 0 318.421 0.465 20 30 DCEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001502835903 1016095389 /nfs/dbraw/zinc/09/53/89/1016095389.db2.gz DLGGBKKDCPOJSD-CVEARBPZSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001507207152 1016125092 /nfs/dbraw/zinc/12/50/92/1016125092.db2.gz HBMWOEQJDGUKNO-ZBFHGGJFSA-N 2 0 307.438 0.483 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001502971003 1016140325 /nfs/dbraw/zinc/14/03/25/1016140325.db2.gz TYFDYSHSDARLGV-HOTGVXAUSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001507321063 1016251097 /nfs/dbraw/zinc/25/10/97/1016251097.db2.gz PEDDZNCHVPOROB-CABCVRRESA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+]CC1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001505501841 1016277320 /nfs/dbraw/zinc/27/73/20/1016277320.db2.gz LTFZQWVTNZPDOB-UHFFFAOYSA-N 2 0 307.438 0.605 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001507429035 1016322261 /nfs/dbraw/zinc/32/22/61/1016322261.db2.gz YUBDMZPGQBCSLP-HZPDHXFCSA-N 2 0 307.438 0.607 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001507511106 1016439482 /nfs/dbraw/zinc/43/94/82/1016439482.db2.gz ILGUPXPKIDGLIB-INIZCTEOSA-N 2 0 309.454 0.539 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001505848204 1016610353 /nfs/dbraw/zinc/61/03/53/1016610353.db2.gz MMRMUFGSHNGPME-AWEZNQCLSA-N 2 0 324.469 0.315 20 30 DCEDRP COCC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001508081799 1016646048 /nfs/dbraw/zinc/64/60/48/1016646048.db2.gz ANECZOLHKHVGJE-DOTOQJQBSA-N 2 0 321.465 0.805 20 30 DCEDRP CC#CC[NH2+]CCOCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001508185111 1016691427 /nfs/dbraw/zinc/69/14/27/1016691427.db2.gz OAGHKGSWTCFVNV-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001438987837 1006322877 /nfs/dbraw/zinc/32/28/77/1006322877.db2.gz ARPIMSSUHHNECW-QWHCGFSZSA-N 2 0 301.818 0.147 20 30 DCEDRP C=C(Cl)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001422013834 1009400797 /nfs/dbraw/zinc/40/07/97/1009400797.db2.gz PNUYKKCLJPLLIU-CYBMUJFWSA-N 2 0 315.845 0.946 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001422712521 1010513676 /nfs/dbraw/zinc/51/36/76/1010513676.db2.gz HIQOYMOYCOBCEF-LBPRGKRZSA-N 2 0 313.833 0.905 20 30 DCEDRP C#CC1(O)CCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC001520996242 1017323825 /nfs/dbraw/zinc/32/38/25/1017323825.db2.gz ZYZRCOOLJRUQIC-HNNXBMFYSA-N 2 0 324.469 0.428 20 30 DCEDRP C#CCN(C(=O)CC[N@@H+](C)CC)C1CC[NH+](CCCO)CC1 ZINC001500054021 1018190594 /nfs/dbraw/zinc/19/05/94/1018190594.db2.gz HYEWJRXUBRFSGI-UHFFFAOYSA-N 2 0 309.454 0.637 20 30 DCEDRP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001500171512 1018267550 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DCEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001502044114 1019653610 /nfs/dbraw/zinc/65/36/10/1019653610.db2.gz TWJQUCMFNBHGLE-CHWSQXEVSA-N 2 0 301.818 0.650 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001496921679 1019760226 /nfs/dbraw/zinc/76/02/26/1019760226.db2.gz AGOCKMHTXRMXSR-CVEARBPZSA-N 2 0 309.454 0.851 20 30 DCEDRP CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000367494800 282272040 /nfs/dbraw/zinc/27/20/40/282272040.db2.gz HPQKQTLXIONAFA-HRCADAONSA-N 2 0 322.453 0.932 20 30 DCEDRP CNC(=[NH2+])NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000264134910 530039471 /nfs/dbraw/zinc/03/94/71/530039471.db2.gz VBAPSJFMNMEPPQ-UHFFFAOYSA-N 2 0 305.426 0.741 20 30 DCEDRP N#Cc1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])s1 ZINC000567368240 291351642 /nfs/dbraw/zinc/35/16/42/291351642.db2.gz PJRWFOZLSIKPIO-UHFFFAOYSA-N 2 0 302.425 0.308 20 30 DCEDRP CN(C(=O)[C@H]([NH3+])CCCC#N)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000595978009 396702111 /nfs/dbraw/zinc/70/21/11/396702111.db2.gz RPMXPKWSYYDYKU-JKSUJKDBSA-N 2 0 321.469 0.634 20 30 DCEDRP C#CCN(CC#CC)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000490898875 397499027 /nfs/dbraw/zinc/49/90/27/397499027.db2.gz MPKFBFGFFHPCRF-UHFFFAOYSA-N 2 0 304.438 0.681 20 30 DCEDRP CN(CCC#N)C(=O)CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000131155172 415925514 /nfs/dbraw/zinc/92/55/14/415925514.db2.gz QMRKNNATQVZHRL-UHFFFAOYSA-N 2 0 322.453 0.793 20 30 DCEDRP O[C@@H]1CC[C@@H]2C[NH+](CC#CC[N@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)C[C@H]12 ZINC000341913410 416251191 /nfs/dbraw/zinc/25/11/91/416251191.db2.gz RYYXXIMSYZKXOB-CKYTUPMTSA-N 2 0 304.434 0.395 20 30 DCEDRP Cn1cc(CNCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1C#N ZINC000359768083 416357616 /nfs/dbraw/zinc/35/76/16/416357616.db2.gz QDYGQOYSPWSLSH-AWEZNQCLSA-N 2 0 303.410 0.574 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC([NH3+])(CC)CC)CC1 ZINC000419727171 416406360 /nfs/dbraw/zinc/40/63/60/416406360.db2.gz KXEJMFPZKSOCMQ-UHFFFAOYSA-N 2 0 324.469 0.777 20 30 DCEDRP C#CCN1CCN(C(=O)CN(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000490865561 416578132 /nfs/dbraw/zinc/57/81/32/416578132.db2.gz DSBIJPUOHWMONH-DLBZAZTESA-N 2 0 320.481 0.426 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369398080 416767994 /nfs/dbraw/zinc/76/79/94/416767994.db2.gz LMHLGLRQAZAWQX-JKSUJKDBSA-N 2 0 308.470 0.777 20 30 DCEDRP C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c[nH+]cn3c2)c1C#N ZINC000562243123 416862985 /nfs/dbraw/zinc/86/29/85/416862985.db2.gz DEYLSCSOLPVFNF-UHFFFAOYSA-N 2 0 323.360 1.333 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000647995575 418085828 /nfs/dbraw/zinc/08/58/28/418085828.db2.gz LFBYELAFPKLZOX-GJZGRUSLSA-N 2 0 310.442 0.343 20 30 DCEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CC[C@@]2(CCOC2)C1 ZINC000261655766 278167895 /nfs/dbraw/zinc/16/78/95/278167895.db2.gz AAGJEQFXSWYEOW-NVXWUHKLSA-N 2 0 321.469 0.064 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nnc2n1CCCCC2 ZINC000104156321 279303617 /nfs/dbraw/zinc/30/36/17/279303617.db2.gz CWQLPWYZWXETSZ-CYBMUJFWSA-N 2 0 319.457 0.893 20 30 DCEDRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)[C@@H](C)C1 ZINC000329266986 290087534 /nfs/dbraw/zinc/08/75/34/290087534.db2.gz FYEHESXAXTVFPJ-ZQDZILKHSA-N 2 0 324.469 0.913 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCN(CC[NH+](C)C)CC2)CC1 ZINC000490671336 332848347 /nfs/dbraw/zinc/84/83/47/332848347.db2.gz RGTLQNNPBFROHV-UHFFFAOYSA-N 2 0 306.454 0.037 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CC[NH+](C)C)OCC)CC1 ZINC000176860251 340433012 /nfs/dbraw/zinc/43/30/12/340433012.db2.gz IJFPGNFQIHCGJL-INIZCTEOSA-N 2 0 309.454 0.805 20 30 DCEDRP N#Cc1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c(F)c1 ZINC000576016675 341820401 /nfs/dbraw/zinc/82/04/01/341820401.db2.gz NIEYWHREYMBUOA-UHFFFAOYSA-N 2 0 314.386 0.386 20 30 DCEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261843719 526377366 /nfs/dbraw/zinc/37/73/66/526377366.db2.gz WWVIKNNAUJGKRU-UKRRQHHQSA-N 2 0 320.441 0.321 20 30 DCEDRP C=CC[NH+]1CCC(NC(NCc2nnc(C)n2C)=[NH+]C)CC1 ZINC000261948380 526416285 /nfs/dbraw/zinc/41/62/85/526416285.db2.gz GPTISQLESFKKPR-UHFFFAOYSA-N 2 0 305.430 0.439 20 30 DCEDRP C#CCNC(NCc1ccnc(N2CC[NH+](C)CC2)c1)=[NH+]C ZINC000262644936 526914007 /nfs/dbraw/zinc/91/40/07/526914007.db2.gz RAYGRVATCKBICZ-UHFFFAOYSA-N 2 0 300.410 0.132 20 30 DCEDRP CC(C)[NH+]=C(NCC(=O)N(C)C)NC1CC[NH+](C2CC2)CC1 ZINC000185504155 527386532 /nfs/dbraw/zinc/38/65/32/527386532.db2.gz HXXYFAXDNXWHMG-UHFFFAOYSA-N 2 0 309.458 0.645 20 30 DCEDRP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CC[C@@]2(CCOC2)C1 ZINC000261932452 528810982 /nfs/dbraw/zinc/81/09/82/528810982.db2.gz BQEWJSNLYBALKV-NVXWUHKLSA-N 2 0 323.485 0.310 20 30 DCEDRP CC[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N(C)Cc1ccon1 ZINC000261836167 528814894 /nfs/dbraw/zinc/81/48/94/528814894.db2.gz WBJNKIQDJIHQTL-AWEZNQCLSA-N 2 0 308.430 0.318 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)Cc1ccccc1 ZINC000264308407 529073023 /nfs/dbraw/zinc/07/30/23/529073023.db2.gz UMRGRRUJMLMYBG-HZPDHXFCSA-N 2 0 304.438 0.979 20 30 DCEDRP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC000981785273 661216918 /nfs/dbraw/zinc/21/69/18/661216918.db2.gz ZKHVPIGQVRSXRJ-JKSUJKDBSA-N 2 0 317.433 0.407 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCOC3)C2)CC1 ZINC001023127814 657539730 /nfs/dbraw/zinc/53/97/30/657539730.db2.gz DXMLAEHYIIDTRG-BHYGNILZSA-N 2 0 319.449 0.605 20 30 DCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000971789564 657673230 /nfs/dbraw/zinc/67/32/30/657673230.db2.gz PFDXCZYUSMZFBZ-HNNXBMFYSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CCN1CCO[C@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC000972552624 657763553 /nfs/dbraw/zinc/76/35/53/657763553.db2.gz QJXSGINPXVXPOY-NVXWUHKLSA-N 2 0 305.422 0.265 20 30 DCEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000970170498 658689193 /nfs/dbraw/zinc/68/91/93/658689193.db2.gz STJITZSQIPWMJE-QBPRILJRSA-N 2 0 317.433 0.309 20 30 DCEDRP C#CCN1CC([C@@H](C)NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC000970338697 658870357 /nfs/dbraw/zinc/87/03/57/658870357.db2.gz OKDAMZNGCNKLIS-TZMCWYRMSA-N 2 0 300.406 0.824 20 30 DCEDRP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)NC[C@@]1(C)CCCO1 ZINC000261708123 661495250 /nfs/dbraw/zinc/49/52/50/661495250.db2.gz GZDLOJWNKFPIQF-GDBMZVCRSA-N 2 0 311.474 0.356 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028699518 661766622 /nfs/dbraw/zinc/76/66/22/661766622.db2.gz ZLQJGGQKJTXYOG-UERKLNTKSA-N 2 0 317.433 0.311 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001028857345 661852656 /nfs/dbraw/zinc/85/26/56/661852656.db2.gz WYQLFFKRPALMPO-AWEZNQCLSA-N 2 0 305.426 0.682 20 30 DCEDRP C#CC1(O)CCN(Cc2cnc(N3CCN(C)CC3)nc2)CC1 ZINC000895382590 662178590 /nfs/dbraw/zinc/17/85/90/662178590.db2.gz KNIYTHVNHIDCJT-UHFFFAOYSA-N 2 0 315.421 0.189 20 30 DCEDRP C[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000262264718 662261866 /nfs/dbraw/zinc/26/18/66/662261866.db2.gz FQFASOIARQBQKJ-DZGCQCFKSA-N 2 0 321.469 0.599 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000896568552 662293195 /nfs/dbraw/zinc/29/31/95/662293195.db2.gz NYDYFWQRZXDCIX-ZBFHGGJFSA-N 2 0 306.454 0.082 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC000911236249 664008849 /nfs/dbraw/zinc/00/88/49/664008849.db2.gz NWNAWJBIGFEECZ-QGZVFWFLSA-N 2 0 320.437 0.108 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(CC[NH2+]C)C(C)C)CC1 ZINC000911235694 664008997 /nfs/dbraw/zinc/00/89/97/664008997.db2.gz IAJANGBPSAXIIR-UHFFFAOYSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000911704521 664103787 /nfs/dbraw/zinc/10/37/87/664103787.db2.gz FLHFRJCWLOFTKV-HUUCEWRRSA-N 2 0 322.453 0.340 20 30 DCEDRP C#CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991358276 664122096 /nfs/dbraw/zinc/12/20/96/664122096.db2.gz IODPUFQXLRFLQK-ANQUJSFKSA-N 2 0 305.422 0.452 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000916841755 665097012 /nfs/dbraw/zinc/09/70/12/665097012.db2.gz HXXZYADPAJTDBQ-HZPDHXFCSA-N 2 0 320.437 0.246 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567272 666020487 /nfs/dbraw/zinc/02/04/87/666020487.db2.gz PWTPFMYBQRNEIW-RDJZCZTQSA-N 2 0 320.481 0.589 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001001647159 666082027 /nfs/dbraw/zinc/08/20/27/666082027.db2.gz SINIASQYELBMOI-PQUAAJSLSA-N 2 0 317.433 0.311 20 30 DCEDRP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001756636 666098724 /nfs/dbraw/zinc/09/87/24/666098724.db2.gz GCYWRIGWBIRRAL-KRWDZBQOSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)COC)C2)CC1 ZINC001016330912 666218090 /nfs/dbraw/zinc/21/80/90/666218090.db2.gz HRMIXQKKJMVJOH-HOCLYGCPSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCN1CC[C@@H](N(C)C(=O)c2cc([C@H]3CCCN3C)[nH]n2)C1 ZINC001033096559 666503403 /nfs/dbraw/zinc/50/34/03/666503403.db2.gz MXUOQTZGHWCQEC-CZUORRHYSA-N 2 0 315.421 0.956 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033278513 666658974 /nfs/dbraw/zinc/65/89/74/666658974.db2.gz POMVKSJNHABXKA-LPMVOBIJSA-N 2 0 317.433 0.406 20 30 DCEDRP C#CCN1CC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033905451 666864138 /nfs/dbraw/zinc/86/41/38/666864138.db2.gz LEYADBDOYMSNDN-LPMVOBIJSA-N 2 0 317.433 0.406 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](CCCO)C2)CC1 ZINC001034045824 666907006 /nfs/dbraw/zinc/90/70/06/666907006.db2.gz NJDWQQRJUDLMPO-QGZVFWFLSA-N 2 0 321.465 0.637 20 30 DCEDRP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CN(CC)CCO2)CC1 ZINC000997437103 667287149 /nfs/dbraw/zinc/28/71/49/667287149.db2.gz XEIHVYSMOWPWEX-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP C[NH+](C)C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C[NH+](C)C ZINC000866040763 667361651 /nfs/dbraw/zinc/36/16/51/667361651.db2.gz HANREANROHQTAA-ZIAGYGMSSA-N 2 0 303.410 0.698 20 30 DCEDRP C=CCCCS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867591214 667472816 /nfs/dbraw/zinc/47/28/16/667472816.db2.gz ZFWAZADTDPLWMX-HUUCEWRRSA-N 2 0 317.499 0.954 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)/C=C(\C)CN2CCOCC2)C1 ZINC000923557370 667563686 /nfs/dbraw/zinc/56/36/86/667563686.db2.gz MCFYUPAWYDBIJH-ASNKMWSDSA-N 2 0 305.422 0.479 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000838622829 667701677 /nfs/dbraw/zinc/70/16/77/667701677.db2.gz PNCMMRQTMTXCQV-HOTGVXAUSA-N 2 0 322.453 0.182 20 30 DCEDRP N#Cc1ccc(NCC[NH2+][C@H]2[C@@H]3COC[C@H]2C[C@H]([NH3+])C3)nc1 ZINC000925892827 668355005 /nfs/dbraw/zinc/35/50/05/668355005.db2.gz FZEQLIYCWOAFLG-NAMSHAPFSA-N 2 0 301.394 0.707 20 30 DCEDRP [NH3+]C[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000877359193 668608962 /nfs/dbraw/zinc/60/89/62/668608962.db2.gz ZHXFVSYYICFMPY-NWDGAFQWSA-N 2 0 303.328 0.585 20 30 DCEDRP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931485697 669211211 /nfs/dbraw/zinc/21/12/11/669211211.db2.gz BOBYSZAIXUTYIL-HNNXBMFYSA-N 2 0 309.454 0.964 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](CCO)CC2)CC1 ZINC001006445790 670399679 /nfs/dbraw/zinc/39/96/79/670399679.db2.gz OFPROYVNXRMNJJ-UHFFFAOYSA-N 2 0 307.438 0.247 20 30 DCEDRP C[NH+]=C(NCCN1CCOCC1)NCC1CC[NH+](C2CC2)CC1 ZINC000849108871 670758473 /nfs/dbraw/zinc/75/84/73/670758473.db2.gz ALRLJVRSVFNMOX-UHFFFAOYSA-N 2 0 323.485 0.358 20 30 DCEDRP C#C[C@@](C)(CC)[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000852098487 671088042 /nfs/dbraw/zinc/08/80/42/671088042.db2.gz OMNZHJXRIDTRCH-WBVHZDCISA-N 2 0 309.454 0.851 20 30 DCEDRP [NH3+]CCNC(=O)c1ccccc1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852877995 671182886 /nfs/dbraw/zinc/18/28/86/671182886.db2.gz KWUCYMPGNNZUKF-UHFFFAOYSA-N 2 0 314.389 0.317 20 30 DCEDRP C[NH+](C)CCCOC1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852889696 671187577 /nfs/dbraw/zinc/18/75/77/671187577.db2.gz PPPQJHGZPJXJHY-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000832281084 671713076 /nfs/dbraw/zinc/71/30/76/671713076.db2.gz SDLPUUOKMRCZTF-LSDHHAIUSA-N 2 0 303.410 0.890 20 30 DCEDRP C[NH+](C)CCOc1cccc(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000841051414 671910949 /nfs/dbraw/zinc/91/09/49/671910949.db2.gz PDGDNBZMTOPKPR-DOMZBBRYSA-N 2 0 317.393 0.860 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000841849934 671960103 /nfs/dbraw/zinc/96/01/03/671960103.db2.gz QDABKUWYAGFTJO-HUUCEWRRSA-N 2 0 311.389 0.831 20 30 DCEDRP CC(C)[NH+](CCNC(=[NH2+])NCCCN1CCOCC1)C(C)C ZINC000303715849 685205663 /nfs/dbraw/zinc/20/56/63/685205663.db2.gz SHWXZWGPZSCUPQ-UHFFFAOYSA-N 2 0 313.490 0.732 20 30 DCEDRP CC[C@@H](CNC(NCCN1CCOCC1)=[NH+]C)[NH+]1CCCC1 ZINC000303895798 685208048 /nfs/dbraw/zinc/20/80/48/685208048.db2.gz PPWRSAKIXVFFLQ-HNNXBMFYSA-N 2 0 311.474 0.358 20 30 DCEDRP C=CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958262112 687490536 /nfs/dbraw/zinc/49/05/36/687490536.db2.gz GXRXYDWLICCGCE-HOCLYGCPSA-N 2 0 314.389 0.933 20 30 DCEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](O)C1 ZINC000958344426 687562886 /nfs/dbraw/zinc/56/28/86/687562886.db2.gz HLGDLNMCULLROT-HUUCEWRRSA-N 2 0 319.405 0.387 20 30 DCEDRP C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000958481770 687695623 /nfs/dbraw/zinc/69/56/23/687695623.db2.gz RYDWRMHHOWNMMF-SJORKVTESA-N 2 0 315.417 0.404 20 30 DCEDRP C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958554949 687741394 /nfs/dbraw/zinc/74/13/94/687741394.db2.gz JFIIJSZAHRFVNJ-HOTGVXAUSA-N 2 0 307.438 0.149 20 30 DCEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](O)C1 ZINC000958600356 687786509 /nfs/dbraw/zinc/78/65/09/687786509.db2.gz ZLQZKRZZOXSXFX-CZUORRHYSA-N 2 0 316.405 0.193 20 30 DCEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000959957878 688269201 /nfs/dbraw/zinc/26/92/01/688269201.db2.gz VFAXKZLGJFWUCQ-FOLVSLTJSA-N 2 0 317.437 0.681 20 30 DCEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001008830448 690932031 /nfs/dbraw/zinc/93/20/31/690932031.db2.gz XRJCJGGDZSPUJS-OAHLLOKOSA-N 2 0 305.426 0.825 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001018858602 693265324 /nfs/dbraw/zinc/26/53/24/693265324.db2.gz KKRHYXIYHZLYSY-BBWFWOEESA-N 2 0 319.449 0.557 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001019241523 693404929 /nfs/dbraw/zinc/40/49/29/693404929.db2.gz FGVKZOBQKFJXMY-RRFJBIMHSA-N 2 0 320.437 0.058 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](C[C@H](C)O)C3)CC1 ZINC001073457343 694728938 /nfs/dbraw/zinc/72/89/38/694728938.db2.gz LUUIGKIVEMMULK-HNNXBMFYSA-N 2 0 319.449 0.247 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](CCF)C3)CC1 ZINC001073455234 694729106 /nfs/dbraw/zinc/72/91/06/694729106.db2.gz DCQODPRYIMARHA-UHFFFAOYSA-N 2 0 307.413 0.835 20 30 DCEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070731 694996960 /nfs/dbraw/zinc/99/69/60/694996960.db2.gz YXRYNLGZQXEOND-HNCZQISISA-N 2 0 317.433 0.568 20 30 DCEDRP C=CCNC(=O)C[N@@H+](C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001571335785 1162706000 /nfs/dbraw/zinc/70/60/00/1162706000.db2.gz WRDWWOOKCSPUIP-HNNXBMFYSA-N 2 0 324.469 0.552 20 30 DCEDRP C#CC[NH2+]CCCOCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001571353593 1162715165 /nfs/dbraw/zinc/71/51/65/1162715165.db2.gz CPEPTCIMXMPAFC-CVEARBPZSA-N 2 0 307.438 0.749 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001571460860 1162768858 /nfs/dbraw/zinc/76/88/58/1162768858.db2.gz CQGARRYINAODCF-KGLIPLIRSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001571492132 1162781829 /nfs/dbraw/zinc/78/18/29/1162781829.db2.gz ZZSRCHRHAJZIRM-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)COC)C1 ZINC001691446795 1157775646 /nfs/dbraw/zinc/77/56/46/1157775646.db2.gz FPIUQWSFGHRNAJ-JONQDZQNSA-N 2 0 307.438 0.603 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CC#CCOC)C1 ZINC001753875150 1158079716 /nfs/dbraw/zinc/07/97/16/1158079716.db2.gz FZFQLWSASZGEFH-DLBZAZTESA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001691506390 1158113096 /nfs/dbraw/zinc/11/30/96/1158113096.db2.gz OWHNXCZSXXNPNU-SHTZXODSSA-N 2 0 307.438 0.462 20 30 DCEDRP COCC#CC[N@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001732597659 1158123732 /nfs/dbraw/zinc/12/37/32/1158123732.db2.gz QBPFQAUPCBTNNX-UHFFFAOYSA-N 2 0 309.454 0.902 20 30 DCEDRP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001691528985 1158216856 /nfs/dbraw/zinc/21/68/56/1158216856.db2.gz VMOSFHFYCBBGMD-IRXDYDNUSA-N 2 0 319.449 0.247 20 30 DCEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001691669863 1158696195 /nfs/dbraw/zinc/69/61/95/1158696195.db2.gz BZKSOKUGZGAGEP-HNNXBMFYSA-N 2 0 307.438 0.653 20 30 DCEDRP COCC#CC[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001567611507 1159859371 /nfs/dbraw/zinc/85/93/71/1159859371.db2.gz JRCFOWSWWCVWME-MRXNPFEDSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[N@@H+](C)CCOCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001566060998 1159957982 /nfs/dbraw/zinc/95/79/82/1159957982.db2.gz QXLJQZFJSMDXQK-UHFFFAOYSA-N 2 0 309.454 0.901 20 30 DCEDRP CC[C@H](C(=O)N[C@H]1CC12CC[NH+](CC#CCOC)CC2)[NH+](C)C ZINC001566689129 1160129849 /nfs/dbraw/zinc/12/98/49/1160129849.db2.gz HIJMCLYIHSBJOL-CVEARBPZSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001566692249 1160130935 /nfs/dbraw/zinc/13/09/35/1160130935.db2.gz CRGARODFJPUVSU-AWEZNQCLSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001567419958 1160359469 /nfs/dbraw/zinc/35/94/69/1160359469.db2.gz YNVIXPGHHQXONO-AWEZNQCLSA-N 2 0 310.442 0.067 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC#CCOC ZINC001568175834 1160590679 /nfs/dbraw/zinc/59/06/79/1160590679.db2.gz NKVZDEFIEFJZLY-HOTGVXAUSA-N 2 0 309.454 0.853 20 30 DCEDRP COCC#CC[NH2+]C[C@H](CC(C)C)NC(=O)C[NH+]1CCCC1 ZINC001568338880 1160631387 /nfs/dbraw/zinc/63/13/87/1160631387.db2.gz JCPLSRDDAIYMCW-INIZCTEOSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001568640758 1160718287 /nfs/dbraw/zinc/71/82/87/1160718287.db2.gz PGYGIPFEWSPJNZ-KBPBESRZSA-N 2 0 322.453 0.093 20 30 DCEDRP C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C)C1=O ZINC001569136591 1160955443 /nfs/dbraw/zinc/95/54/43/1160955443.db2.gz VLHFWZRGAKPSBR-ZIAGYGMSSA-N 2 0 310.442 0.162 20 30 DCEDRP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001569755970 1161228766 /nfs/dbraw/zinc/22/87/66/1161228766.db2.gz OCIYCZDIMHSUEI-FUHWJXTLSA-N 2 0 321.465 0.685 20 30 DCEDRP C=CCC[C@@H](C)[NH+]1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001569786772 1161247569 /nfs/dbraw/zinc/24/75/69/1161247569.db2.gz QEWILCNRMWRZNO-CQSZACIVSA-N 2 0 307.438 0.600 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001569856245 1161286726 /nfs/dbraw/zinc/28/67/26/1161286726.db2.gz RVSAUEKDYMJYBM-JKSUJKDBSA-N 2 0 307.438 0.416 20 30 DCEDRP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CC#CCOC)CC1)[NH+](C)C ZINC001570184242 1161484813 /nfs/dbraw/zinc/48/48/13/1161484813.db2.gz ZLFJSBSYIGLJJP-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001574673705 1163739078 /nfs/dbraw/zinc/73/90/78/1163739078.db2.gz OTWDDQYDEGYIAB-IIAWOOMASA-N 2 0 304.438 0.771 20 30 DCEDRP C#CCNC(=O)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001574707545 1163740788 /nfs/dbraw/zinc/74/07/88/1163740788.db2.gz VMFLVGJXSOCBEA-IYBDPMFKSA-N 2 0 304.438 0.027 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC001578413621 1165005051 /nfs/dbraw/zinc/00/50/51/1165005051.db2.gz RHLXLJWSCKMOKE-UHFFFAOYSA-N 2 0 307.423 0.235 20 30 DCEDRP C[NH+](C)C1(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CCOCC1 ZINC001646149835 1172273764 /nfs/dbraw/zinc/27/37/64/1172273764.db2.gz CTVRWOZSXQUQER-NPCAHTBFSA-N 2 0 320.437 0.353 20 30 DCEDRP C[NH+]1CCC(CCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC001649977367 1173355586 /nfs/dbraw/zinc/35/55/86/1173355586.db2.gz VBFJIGDYGGMWMF-ISXOHVOVSA-N 2 0 304.438 0.974 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001662723834 1174235562 /nfs/dbraw/zinc/23/55/62/1174235562.db2.gz XNAKDEIDPFWIHG-HUUCEWRRSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCN1CC[C@@H]([N@H+](CC)CCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001663363202 1174289929 /nfs/dbraw/zinc/28/99/29/1174289929.db2.gz BOUKEZFZTLQTEP-LSDHHAIUSA-N 2 0 322.453 0.306 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001663536894 1174316837 /nfs/dbraw/zinc/31/68/37/1174316837.db2.gz GPFWHZMCXHVMGV-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC#CCOC)C1 ZINC001663645457 1174339253 /nfs/dbraw/zinc/33/92/53/1174339253.db2.gz VHOVIGYCBCNYQV-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001667759316 1174708721 /nfs/dbraw/zinc/70/87/21/1174708721.db2.gz WZDIFZKSRPEDSN-HOCLYGCPSA-N 2 0 317.437 0.566 20 30 DCEDRP COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001668184785 1174765699 /nfs/dbraw/zinc/76/56/99/1174765699.db2.gz GQQUDIJRYOWQSN-JYJNAYRXSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCN(C)C(=O)C[NH+]2CCCC2)C1=O ZINC001670345461 1175005278 /nfs/dbraw/zinc/00/52/78/1175005278.db2.gz VLJAQIQKCFMBNA-HNNXBMFYSA-N 2 0 322.453 0.307 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001672043713 1175069353 /nfs/dbraw/zinc/06/93/53/1175069353.db2.gz AOPNPMZHLFZHBR-SJLPKXTDSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001673688397 1175224336 /nfs/dbraw/zinc/22/43/36/1175224336.db2.gz KWSQEANHEOHPQN-KRWDZBQOSA-N 2 0 307.438 0.295 20 30 DCEDRP CC#CC[NH+](C)CCOCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001676140802 1175425951 /nfs/dbraw/zinc/42/59/51/1175425951.db2.gz XGMDEPFCVLDEQP-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001676414236 1175445070 /nfs/dbraw/zinc/44/50/70/1175445070.db2.gz XPGIANSBOXFAGD-KGLIPLIRSA-N 2 0 324.469 0.455 20 30 DCEDRP C=CCC[NH2+][C@H](CO)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001676554633 1175460657 /nfs/dbraw/zinc/46/06/57/1175460657.db2.gz KMNXIKMJFRJRLO-ZDUSSCGKSA-N 2 0 315.377 0.524 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001676692137 1175477166 /nfs/dbraw/zinc/47/71/66/1175477166.db2.gz AVFRUUZUMRAUPC-UONOGXRCSA-N 2 0 310.442 0.208 20 30 DCEDRP COCC#CC[NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001677423233 1175563404 /nfs/dbraw/zinc/56/34/04/1175563404.db2.gz BIDAWKZRURAUHS-UHFFFAOYSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001688937528 1176660704 /nfs/dbraw/zinc/66/07/04/1176660704.db2.gz OEYVRGRWQBEJPW-WKILWMFISA-N 2 0 321.465 0.853 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001690287240 1177207567 /nfs/dbraw/zinc/20/75/67/1177207567.db2.gz UBRRWTGIXWEHSD-KKUMJFAQSA-N 2 0 322.453 0.352 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001690628452 1177287273 /nfs/dbraw/zinc/28/72/73/1177287273.db2.gz NBWPBLJADJNLSQ-HZPDHXFCSA-N 2 0 309.454 0.993 20 30 DCEDRP COCC#CC[NH2+]C[C@@](C)(NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001698650904 1177601089 /nfs/dbraw/zinc/60/10/89/1177601089.db2.gz FBMNRJIGGXUTEP-CRAIPNDOSA-N 2 0 321.465 0.853 20 30 DCEDRP CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001699857659 1178318827 /nfs/dbraw/zinc/31/88/27/1178318827.db2.gz FEWHVFKGUKVKMX-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001700233100 1178543553 /nfs/dbraw/zinc/54/35/53/1178543553.db2.gz MXUBDHITBUQUQF-WMZOPIPTSA-N 2 0 321.465 0.826 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001700294608 1178568667 /nfs/dbraw/zinc/56/86/67/1178568667.db2.gz ZDEBCCJCOSCBJD-CVEARBPZSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001700727600 1178723169 /nfs/dbraw/zinc/72/31/69/1178723169.db2.gz FOTMZAAOSRAOLI-CABCVRRESA-N 2 0 322.453 0.209 20 30 DCEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1CC[NH+](CC#C)CC1 ZINC001700735780 1178725361 /nfs/dbraw/zinc/72/53/61/1178725361.db2.gz IXFKJGGYCGRRDA-KRWDZBQOSA-N 2 0 301.434 0.791 20 30 DCEDRP C=CCC[NH+]1CCN(CCCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001713066421 1180659090 /nfs/dbraw/zinc/65/90/90/1180659090.db2.gz AVRKUDDJUKLPJE-INIZCTEOSA-N 2 0 308.470 0.781 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001713192311 1180714076 /nfs/dbraw/zinc/71/40/76/1180714076.db2.gz WZXLWXVVTRFZSO-XHSDSOJGSA-N 2 0 305.422 0.215 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001713220438 1180726167 /nfs/dbraw/zinc/72/61/67/1180726167.db2.gz LCCGUMLMISMWMS-SJORKVTESA-N 2 0 321.465 0.806 20 30 DCEDRP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001713401949 1180799411 /nfs/dbraw/zinc/79/94/11/1180799411.db2.gz WLTQSWPXSQGVLX-SJORKVTESA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)C[C@@H](C)OC)CC1 ZINC001713497119 1180870614 /nfs/dbraw/zinc/87/06/14/1180870614.db2.gz DVNRSZXCHZWNQS-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001713557697 1180919381 /nfs/dbraw/zinc/91/93/81/1180919381.db2.gz VOBHYJHKJFYXPD-QGZVFWFLSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CCC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001713743560 1181040084 /nfs/dbraw/zinc/04/00/84/1181040084.db2.gz NNKDTOLNXRVBFB-QGZVFWFLSA-N 2 0 320.481 0.570 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCOCC=C)C2)CC1 ZINC001713968268 1181176720 /nfs/dbraw/zinc/17/67/20/1181176720.db2.gz GGTQLTHJJROFAC-QAQDUYKDSA-N 2 0 319.449 0.771 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001714016329 1181203698 /nfs/dbraw/zinc/20/36/98/1181203698.db2.gz JQSMNCNJMNFXIX-YIYPIFLZSA-N 2 0 310.442 0.254 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001714157335 1181267381 /nfs/dbraw/zinc/26/73/81/1181267381.db2.gz RUTSIOLGWBUMOE-JKSUJKDBSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2cc(C)no2)CC1 ZINC001714796160 1181553056 /nfs/dbraw/zinc/55/30/56/1181553056.db2.gz DVSJCFKDOYXAEU-UHFFFAOYSA-N 2 0 318.421 0.876 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001715609006 1181894901 /nfs/dbraw/zinc/89/49/01/1181894901.db2.gz QTWSLSJXHPCVNK-MRXNPFEDSA-N 2 0 303.406 0.452 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001715688683 1181942080 /nfs/dbraw/zinc/94/20/80/1181942080.db2.gz BJJHKPBMBJFQEK-AWEZNQCLSA-N 2 0 322.453 0.115 20 30 DCEDRP COCC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001715832799 1182036976 /nfs/dbraw/zinc/03/69/76/1182036976.db2.gz JYJIWJBSYLLIFC-YRLOJYSSSA-N 2 0 319.449 0.915 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716218076 1182260598 /nfs/dbraw/zinc/26/05/98/1182260598.db2.gz SBCZNHSOOHENLE-ZIAGYGMSSA-N 2 0 310.442 0.067 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001716964068 1182604604 /nfs/dbraw/zinc/60/46/04/1182604604.db2.gz VXNWQKXUUZGBAJ-HZPDHXFCSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001716975335 1182608233 /nfs/dbraw/zinc/60/82/33/1182608233.db2.gz LQYJDAIABVSJCY-GJZGRUSLSA-N 2 0 324.469 0.455 20 30 DCEDRP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001717109825 1182680847 /nfs/dbraw/zinc/68/08/47/1182680847.db2.gz MVXDJYGZAGQYIM-JKSUJKDBSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001717202005 1182729226 /nfs/dbraw/zinc/72/92/26/1182729226.db2.gz MMGCJRHCGZDFSF-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001717304843 1182772616 /nfs/dbraw/zinc/77/26/16/1182772616.db2.gz UXAGXUXMSLEDLY-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C=C(C)C[NH2+][C@H](CO)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001717772101 1182990753 /nfs/dbraw/zinc/99/07/53/1182990753.db2.gz XYVONBPSZBGKPM-ZDUSSCGKSA-N 2 0 315.377 0.524 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[NH2+]CC2CC2)CC1 ZINC001717933584 1183072461 /nfs/dbraw/zinc/07/24/61/1183072461.db2.gz SXLBIGXHNSFWNC-INIZCTEOSA-N 2 0 307.438 0.151 20 30 DCEDRP COCC#CC[N@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001718032250 1183118459 /nfs/dbraw/zinc/11/84/59/1183118459.db2.gz DHTPYXVBSZTHQW-UHFFFAOYSA-N 2 0 305.422 0.480 20 30 DCEDRP C=CCOCC[NH2+]C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001723967511 1184364545 /nfs/dbraw/zinc/36/45/45/1184364545.db2.gz UDLDJTRJPZAMAP-HNNXBMFYSA-N 2 0 307.438 0.865 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](CC#CCOC)C2)CC[N@@H+]1C ZINC001724152432 1184388629 /nfs/dbraw/zinc/38/86/29/1184388629.db2.gz CWPYQKDUJAJLSU-LZLYRXPVSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC001724840806 1184588119 /nfs/dbraw/zinc/58/81/19/1184588119.db2.gz BJUYKKOKFMUFQX-HNNXBMFYSA-N 2 0 324.469 0.601 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001725518856 1184854883 /nfs/dbraw/zinc/85/48/83/1184854883.db2.gz VCLAKNQTKIDREZ-KBPBESRZSA-N 2 0 310.442 0.067 20 30 DCEDRP C=CC[NH2+][C@H](CO)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001725537258 1184869042 /nfs/dbraw/zinc/86/90/42/1184869042.db2.gz ASZPHWLVMVZONX-WFASDCNBSA-N 2 0 301.406 0.452 20 30 DCEDRP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001725723084 1184972724 /nfs/dbraw/zinc/97/27/24/1184972724.db2.gz LOXGPWKBEWERCQ-QGZVFWFLSA-N 2 0 321.465 0.493 20 30 DCEDRP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001725726416 1184976483 /nfs/dbraw/zinc/97/64/83/1184976483.db2.gz ZXCNAQQJFFWXAP-DLBZAZTESA-N 2 0 323.481 0.881 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CC#CC)C2)CC1 ZINC001725789751 1184994183 /nfs/dbraw/zinc/99/41/83/1184994183.db2.gz MXOLGRIHISMOCF-UHFFFAOYSA-N 2 0 301.434 0.934 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)CC#CCOC ZINC001731287025 1185244997 /nfs/dbraw/zinc/24/49/97/1185244997.db2.gz XXQGMYVRZXNKRF-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCC[NH+]1CCN(CCCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001731363347 1185295964 /nfs/dbraw/zinc/29/59/64/1185295964.db2.gz WGICDXQPLSSDEO-INIZCTEOSA-N 2 0 308.470 0.638 20 30 DCEDRP COCC#CC[NH2+]C[C@](C)(NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001732248740 1185748035 /nfs/dbraw/zinc/74/80/35/1185748035.db2.gz LHMPIAXHBMVGTC-KRWDZBQOSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001732618011 1185875950 /nfs/dbraw/zinc/87/59/50/1185875950.db2.gz KZXGCHIYOUACLI-CVEARBPZSA-N 2 0 321.465 0.853 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001733334188 1186230473 /nfs/dbraw/zinc/23/04/73/1186230473.db2.gz QNDPDFUHFRCTKI-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CC[NH2+]C1CCN(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001733582161 1186342175 /nfs/dbraw/zinc/34/21/75/1186342175.db2.gz ZGCYDTJZRJCDDX-OAHLLOKOSA-N 2 0 308.470 0.684 20 30 DCEDRP C=CC[N@H+]1CCC[C@](CO)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001733590002 1186348579 /nfs/dbraw/zinc/34/85/79/1186348579.db2.gz HWQZKEJDYYJLSB-KRWDZBQOSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001733824288 1186463054 /nfs/dbraw/zinc/46/30/54/1186463054.db2.gz FHRNPGGSUSJFBK-QGZVFWFLSA-N 2 0 307.438 0.295 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001733860421 1186478843 /nfs/dbraw/zinc/47/88/43/1186478843.db2.gz WDIHTNONYREOAV-LSDHHAIUSA-N 2 0 305.422 0.169 20 30 DCEDRP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001752790410 1188441937 /nfs/dbraw/zinc/44/19/37/1188441937.db2.gz XXHREWLKOXRJPF-HZPDHXFCSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001753767899 1188653353 /nfs/dbraw/zinc/65/33/53/1188653353.db2.gz PVLBENFRPSTBLL-LSDHHAIUSA-N 2 0 324.469 0.457 20 30 DCEDRP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001753919526 1188682331 /nfs/dbraw/zinc/68/23/31/1188682331.db2.gz XQOUCCAYVKVTEE-CQSZACIVSA-N 2 0 315.377 0.524 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001754309103 1188816408 /nfs/dbraw/zinc/81/64/08/1188816408.db2.gz HYDTVZAJDOYYTC-GDBMZVCRSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001754609590 1188889239 /nfs/dbraw/zinc/88/92/39/1188889239.db2.gz HMXOGZSYUWQYEW-HNNXBMFYSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@](C)(C[NH2+]C[C@H](C)O)C2)CC1 ZINC001754712304 1188910356 /nfs/dbraw/zinc/91/03/56/1188910356.db2.gz HPOIYLCKVQGLON-YJBOKZPZSA-N 2 0 321.465 0.541 20 30 DCEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH+]1CCC(NCC#N)CC1 ZINC001754851335 1188949811 /nfs/dbraw/zinc/94/98/11/1188949811.db2.gz KYXNOVGKBTUCEB-GJZGRUSLSA-N 2 0 321.469 0.553 20 30 DCEDRP COCC#CC[NH+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001754962692 1188980235 /nfs/dbraw/zinc/98/02/35/1188980235.db2.gz LFIXGVDOKZSDIF-UHFFFAOYSA-N 2 0 319.449 0.656 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001755092006 1189019690 /nfs/dbraw/zinc/01/96/90/1189019690.db2.gz SOSYHPOAANMSOZ-GOSISDBHSA-N 2 0 321.465 0.829 20 30 DCEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001755637304 1189169679 /nfs/dbraw/zinc/16/96/79/1189169679.db2.gz XEYRVRGTFQBZJA-NVXWUHKLSA-N 2 0 321.465 0.874 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[NH2+]CC(=C)C)CC1 ZINC001755795396 1189217634 /nfs/dbraw/zinc/21/76/34/1189217634.db2.gz FLONQQHMXOCGGT-MRXNPFEDSA-N 2 0 307.438 0.317 20 30 DCEDRP CC#CC[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571259 751514537 /nfs/dbraw/zinc/51/45/37/751514537.db2.gz OXYQVCSWEBOXCN-CVEARBPZSA-N 2 0 307.438 0.462 20 30 DCEDRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+]CC#CCOC)CC1 ZINC001167640406 747441476 /nfs/dbraw/zinc/44/14/76/747441476.db2.gz OFUOYAYPORZNBX-UHFFFAOYSA-N 2 0 309.454 0.854 20 30 DCEDRP C=CCNCc1cn(C2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)nn1 ZINC001105320915 748129837 /nfs/dbraw/zinc/12/98/37/748129837.db2.gz PDHIFTLAUWZSRG-OAHLLOKOSA-N 2 0 320.441 0.523 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H](OC)C1 ZINC001213434522 748169980 /nfs/dbraw/zinc/16/99/80/748169980.db2.gz FRPRHNDXHHSGTQ-OWCLPIDISA-N 2 0 309.454 0.946 20 30 DCEDRP N#Cc1cncc(Br)c1NC(=[NH2+])NCCCC[NH3+] ZINC001167881965 748460934 /nfs/dbraw/zinc/46/09/34/748460934.db2.gz OBCDVFDNBAMSJC-UHFFFAOYSA-N 2 0 311.187 0.813 20 30 DCEDRP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105657773 749953771 /nfs/dbraw/zinc/95/37/71/749953771.db2.gz ATEOGLVFUJLQNU-JOCBIADPSA-N 2 0 321.465 0.537 20 30 DCEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757208 749978946 /nfs/dbraw/zinc/97/89/46/749978946.db2.gz NKNNDJRPYBOWGY-GQGDVANPSA-N 2 0 303.406 0.062 20 30 DCEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@@H](O)C1 ZINC001083719393 751031961 /nfs/dbraw/zinc/03/19/61/751031961.db2.gz BUCXWJJIQULMFA-OAGGEKHMSA-N 2 0 309.454 0.846 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106623537 751208094 /nfs/dbraw/zinc/20/80/94/751208094.db2.gz UVURDBUYILEAHI-RBSFLKMASA-N 2 0 324.469 0.313 20 30 DCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001044607720 752807012 /nfs/dbraw/zinc/80/70/12/752807012.db2.gz DZZZKVYHBBJRAZ-HUUCEWRRSA-N 2 0 317.437 0.661 20 30 DCEDRP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001046035402 753439121 /nfs/dbraw/zinc/43/91/21/753439121.db2.gz LDMGQAQNYIFFKV-DLBZAZTESA-N 2 0 320.481 0.731 20 30 DCEDRP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046501173 753752374 /nfs/dbraw/zinc/75/23/74/753752374.db2.gz LHOUKPOLQYOYEM-FYRJDAGRSA-N 2 0 317.433 0.454 20 30 DCEDRP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001047379690 754226741 /nfs/dbraw/zinc/22/67/41/754226741.db2.gz AFERZVGEMSPBRS-PMPSAXMXSA-N 2 0 307.438 0.386 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+](CC(C)C)C[C@@H]2O)CC1 ZINC001047638369 754453693 /nfs/dbraw/zinc/45/36/93/754453693.db2.gz PIACWTRGSUNZFG-IRXDYDNUSA-N 2 0 321.465 0.491 20 30 DCEDRP C#CCN1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](O)C1 ZINC001090257713 754469181 /nfs/dbraw/zinc/46/91/81/754469181.db2.gz AYCLTLPMCOXNDC-LSDHHAIUSA-N 2 0 307.438 0.436 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CCF)C[C@@H]3C2)CC1 ZINC001049234924 755196861 /nfs/dbraw/zinc/19/68/61/755196861.db2.gz JPNFYJYLBSZPPQ-IYBDPMFKSA-N 2 0 307.413 0.691 20 30 DCEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC001090353258 755655250 /nfs/dbraw/zinc/65/52/50/755655250.db2.gz ABSHPIGZWDMRRA-HZPDHXFCSA-N 2 0 319.449 0.437 20 30 DCEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001090353325 755655677 /nfs/dbraw/zinc/65/56/77/755655677.db2.gz BDMHNJSAGSAIMT-HOTGVXAUSA-N 2 0 321.465 0.990 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCOC)CC2)CC1 ZINC001052953879 755884559 /nfs/dbraw/zinc/88/45/59/755884559.db2.gz JHPXXHVFZJLHJG-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001081788640 756786305 /nfs/dbraw/zinc/78/63/05/756786305.db2.gz UINSYNPIEWWMSB-GVDBMIGSSA-N 2 0 321.465 0.803 20 30 DCEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001164538479 757101754 /nfs/dbraw/zinc/10/17/54/757101754.db2.gz IJLUNXHLUZLSIR-CYBMUJFWSA-N 2 0 303.834 0.944 20 30 DCEDRP C=CCN1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001083937004 757556213 /nfs/dbraw/zinc/55/62/13/757556213.db2.gz GWQXEINJJYLUMR-CVEARBPZSA-N 2 0 307.438 0.456 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001084090766 757667730 /nfs/dbraw/zinc/66/77/30/757667730.db2.gz HOHFKBYBHBZFRU-SJORKVTESA-N 2 0 315.417 0.546 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCO)CC1 ZINC001098460740 762677373 /nfs/dbraw/zinc/67/73/73/762677373.db2.gz ITKRSMYFZJLQKG-OAGGEKHMSA-N 2 0 305.422 0.045 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147885828 767861138 /nfs/dbraw/zinc/86/11/38/767861138.db2.gz PKVOCICWNGGWMT-HNNXBMFYSA-N 2 0 324.469 0.459 20 30 DCEDRP CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001098404830 759674979 /nfs/dbraw/zinc/67/49/79/759674979.db2.gz VEJWJEHJSPBERB-MRXNPFEDSA-N 2 0 309.454 0.635 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100124267 760441578 /nfs/dbraw/zinc/44/15/78/760441578.db2.gz FUMHUZSYVNTQMM-HOTGVXAUSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCCC[NH+]1CC(N2C[C@@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569726 760886892 /nfs/dbraw/zinc/88/68/92/760886892.db2.gz OFFQGIQSKWLJMC-AWEZNQCLSA-N 2 0 322.453 0.306 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001070217551 761141570 /nfs/dbraw/zinc/14/15/70/761141570.db2.gz HXNHOIHYIQJQLM-MCIONIFRSA-N 2 0 306.414 0.146 20 30 DCEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100127513 761158860 /nfs/dbraw/zinc/15/88/60/761158860.db2.gz WDWYPQXSUMOXEP-HOTGVXAUSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001070505916 761281261 /nfs/dbraw/zinc/28/12/61/761281261.db2.gz OWILFFYNHVRPJG-NUEKZKHPSA-N 2 0 317.437 0.278 20 30 DCEDRP C=CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001071020732 761589348 /nfs/dbraw/zinc/58/93/48/761589348.db2.gz RSLNTJFCLFLNMR-HNNXBMFYSA-N 2 0 322.453 0.165 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC2(CCOCC2)C1 ZINC001099589371 762907028 /nfs/dbraw/zinc/90/70/28/762907028.db2.gz XHTCYODGHZFUGQ-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001090491122 763433873 /nfs/dbraw/zinc/43/38/73/763433873.db2.gz XMHCJPJRJXMQBN-GJZGRUSLSA-N 2 0 309.454 0.988 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001100447201 763584532 /nfs/dbraw/zinc/58/45/32/763584532.db2.gz SEIRLQDGKKOHEO-GPANFISMSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CCC[NH2+]C1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001100803849 763797302 /nfs/dbraw/zinc/79/73/02/763797302.db2.gz GIAGCIFAXSHYSB-UHFFFAOYSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCOCC[NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001100871197 763834052 /nfs/dbraw/zinc/83/40/52/763834052.db2.gz HFNYTTYAWDMNQX-UHFFFAOYSA-N 2 0 307.438 0.769 20 30 DCEDRP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131564545 763869410 /nfs/dbraw/zinc/86/94/10/763869410.db2.gz ODEQIWVJDBKCFC-AEFFLSMTSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001131609066 763887846 /nfs/dbraw/zinc/88/78/46/763887846.db2.gz YUPQAUNUSQKMOM-AEFFLSMTSA-N 2 0 321.465 0.946 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001101025013 763925645 /nfs/dbraw/zinc/92/56/45/763925645.db2.gz RIXYXHHDBCPBMZ-UHFFFAOYSA-N 2 0 321.465 0.997 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102091025 764521801 /nfs/dbraw/zinc/52/18/01/764521801.db2.gz OETZHRGHIKNOHO-ZACQAIPSSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001133091960 764823583 /nfs/dbraw/zinc/82/35/83/764823583.db2.gz WVFNXPYUNLSBLG-GJZGRUSLSA-N 2 0 324.469 0.315 20 30 DCEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001134398471 765506009 /nfs/dbraw/zinc/50/60/09/765506009.db2.gz BJVKMIAVZYNUEA-KGLIPLIRSA-N 2 0 305.426 0.564 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134612591 765589497 /nfs/dbraw/zinc/58/94/97/765589497.db2.gz OSQHVRKHMYCRRR-KGLIPLIRSA-N 2 0 322.453 0.093 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134612593 765589727 /nfs/dbraw/zinc/58/97/27/765589727.db2.gz OSQHVRKHMYCRRR-ZIAGYGMSSA-N 2 0 322.453 0.093 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCOC)C[C@H]32)CC1 ZINC001115290144 765676957 /nfs/dbraw/zinc/67/69/57/765676957.db2.gz OCGWJFIDYYVBBE-FVQHAEBGSA-N 2 0 319.449 0.415 20 30 DCEDRP O=C(NCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1N=CC=CC1=O ZINC001116467132 765874180 /nfs/dbraw/zinc/87/41/80/765874180.db2.gz SKTRNLVPVPIXOL-FJOSAAFMSA-N 2 0 304.394 0.729 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001135474203 765939734 /nfs/dbraw/zinc/93/97/34/765939734.db2.gz JTVFXGVNKZBVHN-GJZGRUSLSA-N 2 0 324.469 0.197 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135709813 766054090 /nfs/dbraw/zinc/05/40/90/766054090.db2.gz DXVSEXHXBIZJNB-CQSZACIVSA-N 2 0 310.442 0.115 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135743905 766085727 /nfs/dbraw/zinc/08/57/27/766085727.db2.gz RHDAZSBXPKHJSU-UONOGXRCSA-N 2 0 312.458 0.503 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001090673619 766455798 /nfs/dbraw/zinc/45/57/98/766455798.db2.gz LQJMFNGSQPMONF-CVEARBPZSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001110107706 766544870 /nfs/dbraw/zinc/54/48/70/766544870.db2.gz SIQAUFNNSBGKFV-NCOADZHNSA-N 2 0 319.449 0.700 20 30 DCEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]CCN(CC[NH3+])N(O)N=O ZINC001171195900 766962801 /nfs/dbraw/zinc/96/28/01/766962801.db2.gz WAKBYZIVXNCYJC-GFCCVEGCSA-N 2 0 306.370 0.627 20 30 DCEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001098495507 767045756 /nfs/dbraw/zinc/04/57/56/767045756.db2.gz YESVHCYMPHCPFC-CQSZACIVSA-N 2 0 318.421 0.507 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCOC)CC1 ZINC001146612082 767488280 /nfs/dbraw/zinc/48/82/80/767488280.db2.gz PKJKXRZLJHHEPG-LSDHHAIUSA-N 2 0 309.454 0.851 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150195123 769033895 /nfs/dbraw/zinc/03/38/95/769033895.db2.gz YGAICPRBAHDVQJ-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001151049712 769245175 /nfs/dbraw/zinc/24/51/75/769245175.db2.gz WXUHLYDRZBTOMY-AWEZNQCLSA-N 2 0 304.369 0.855 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152472027 769571678 /nfs/dbraw/zinc/57/16/78/769571678.db2.gz PRHGHYZWCXERAC-GJZGRUSLSA-N 2 0 324.469 0.503 20 30 DCEDRP N#Cc1cc(F)cc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235871355 769956317 /nfs/dbraw/zinc/95/63/17/769956317.db2.gz PZMPXUGQSUDFHR-UHFFFAOYSA-N 2 0 305.401 0.282 20 30 DCEDRP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854721 769962964 /nfs/dbraw/zinc/96/29/64/769962964.db2.gz SBZHUCAGQVAAMJ-OAHLLOKOSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176563347 770126470 /nfs/dbraw/zinc/12/64/70/770126470.db2.gz CRRSGJIWKDDMGG-JKSUJKDBSA-N 2 0 309.454 0.853 20 30 DCEDRP N#Cc1cccc(S(=O)(=O)NCCC[NH2+]CCCC[NH3+])c1 ZINC001238878970 770140148 /nfs/dbraw/zinc/14/01/48/770140148.db2.gz FIRQTQBYSLUCRI-UHFFFAOYSA-N 2 0 310.423 0.555 20 30 DCEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001154396596 770168793 /nfs/dbraw/zinc/16/87/93/770168793.db2.gz MVRPZBCTJVUERU-GJEMEMOUSA-N 2 0 307.438 0.862 20 30 DCEDRP N#Cc1ccc(S(=O)(=O)N(CC[NH3+])CC[NH3+])c(Cl)c1 ZINC001239096116 770178556 /nfs/dbraw/zinc/17/85/56/770178556.db2.gz BHQPOJJCZFSTJD-UHFFFAOYSA-N 2 0 302.787 0.120 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2ccnn2C)CC1 ZINC001176926632 770226875 /nfs/dbraw/zinc/22/68/75/770226875.db2.gz QXDRCLJWUAEHCJ-UHFFFAOYSA-N 2 0 317.437 0.361 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2nocc2C)CC1 ZINC001176926537 770226997 /nfs/dbraw/zinc/22/69/97/770226997.db2.gz PBVHCHWYYOBXEB-UHFFFAOYSA-N 2 0 318.421 0.924 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2ccn(C)n2)CC1 ZINC001176926796 770227049 /nfs/dbraw/zinc/22/70/49/770227049.db2.gz VJSQTHHTSHLYGQ-UHFFFAOYSA-N 2 0 317.437 0.361 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C[C@H]2CCOC2)CC1 ZINC001176926853 770227531 /nfs/dbraw/zinc/22/75/31/770227531.db2.gz XUHPISCUJQFPPM-OAHLLOKOSA-N 2 0 307.438 0.464 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176986103 770271459 /nfs/dbraw/zinc/27/14/59/770271459.db2.gz DWUWZBZBHJAVSZ-UHFFFAOYSA-N 2 0 324.469 0.623 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176986322 770274264 /nfs/dbraw/zinc/27/42/64/770274264.db2.gz KSAQQIRZGYOFNZ-CQSZACIVSA-N 2 0 310.442 0.259 20 30 DCEDRP C=CCN1CC[C@H]([N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001155005428 770366483 /nfs/dbraw/zinc/36/64/83/770366483.db2.gz MNGZGSSVWPLVJW-CABCVRRESA-N 2 0 324.469 0.552 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001178045244 770600128 /nfs/dbraw/zinc/60/01/28/770600128.db2.gz HDNLNWJLQVCNRV-OAHLLOKOSA-N 2 0 324.469 0.649 20 30 DCEDRP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)cc1C#N ZINC001151049614 771318700 /nfs/dbraw/zinc/31/87/00/771318700.db2.gz UNRNQDPQACOUMW-AWEZNQCLSA-N 2 0 316.405 0.724 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182473036 771497307 /nfs/dbraw/zinc/49/73/07/771497307.db2.gz NLCGILVAVZIKGB-CVEARBPZSA-N 2 0 307.438 0.700 20 30 DCEDRP C=C(C[NH+]1CCCC1)C(=O)NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001183086561 771602029 /nfs/dbraw/zinc/60/20/29/771602029.db2.gz XNYPFSBMSBVPLE-IIAWOOMASA-N 2 0 311.426 0.479 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001157899042 771689405 /nfs/dbraw/zinc/68/94/05/771689405.db2.gz IAIOEWZIKMOZNN-CABCVRRESA-N 2 0 322.453 0.093 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158380293 771765730 /nfs/dbraw/zinc/76/57/30/771765730.db2.gz PABAHKHPWUKGJI-BFHYXJOUSA-N 2 0 310.442 0.113 20 30 DCEDRP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158421977 771772067 /nfs/dbraw/zinc/77/20/67/771772067.db2.gz HFFIYOZTXPEWJC-TWMKSMIVSA-N 2 0 310.401 0.824 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCO)[C@@H](C)C2)CC1 ZINC001185731966 771951407 /nfs/dbraw/zinc/95/14/07/771951407.db2.gz WQKHOIBJSPIOAU-RDJZCZTQSA-N 2 0 321.465 0.398 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC12CCOCC2 ZINC001186481361 772044964 /nfs/dbraw/zinc/04/49/64/772044964.db2.gz NNVZMFMITMIEAO-HNNXBMFYSA-N 2 0 307.438 0.416 20 30 DCEDRP COCC#CC[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161089782 772166544 /nfs/dbraw/zinc/16/65/44/772166544.db2.gz NTVDAGJKGQSWEI-UHFFFAOYSA-N 2 0 307.438 0.726 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)C2(C[NH+](C)C)CC2)(COC)CC1 ZINC001162434719 772371082 /nfs/dbraw/zinc/37/10/82/772371082.db2.gz SSMFVJIGAUCRJG-UHFFFAOYSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001163291142 772500181 /nfs/dbraw/zinc/50/01/81/772500181.db2.gz ZYBPANVITGUPKY-UHFFFAOYSA-N 2 0 322.453 0.096 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190149272 772590257 /nfs/dbraw/zinc/59/02/57/772590257.db2.gz WDWSSEDFKCVVSL-HRCADAONSA-N 2 0 305.422 0.121 20 30 DCEDRP COCC#CC[NH2+]CC1(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001165465264 772740403 /nfs/dbraw/zinc/74/04/03/772740403.db2.gz ZYMJNRXLWIEAAN-UHFFFAOYSA-N 2 0 321.465 0.997 20 30 DCEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001191430193 772767429 /nfs/dbraw/zinc/76/74/29/772767429.db2.gz CCJVWPJZHMVKSM-GARNVTTQSA-N 2 0 317.433 0.406 20 30 DCEDRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cnc(C)c(C#N)c1 ZINC001192301843 772907265 /nfs/dbraw/zinc/90/72/65/772907265.db2.gz ZMAIKINYVZWFAV-UHFFFAOYSA-N 2 0 302.382 0.939 20 30 DCEDRP C#CCC[NH2+]C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001203709736 772920870 /nfs/dbraw/zinc/92/08/70/772920870.db2.gz XZBSNOWBQYXVQT-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001193077043 773001320 /nfs/dbraw/zinc/00/13/20/773001320.db2.gz GOOBLMUMSGXAFJ-OAHLLOKOSA-N 2 0 307.438 0.653 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC#CCOC)C1 ZINC001193601170 773096844 /nfs/dbraw/zinc/09/68/44/773096844.db2.gz UWJLONMUOWNTHR-MRXNPFEDSA-N 2 0 309.454 0.901 20 30 DCEDRP C#CC[NH2+]CC1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001206930147 773137976 /nfs/dbraw/zinc/13/79/76/773137976.db2.gz VBWVRRFLXWRPLG-HNNXBMFYSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)C[C@H](C)OC)C2)CC1 ZINC001194247347 773167526 /nfs/dbraw/zinc/16/75/26/773167526.db2.gz XBNACOJAMLXRAI-DOTOQJQBSA-N 2 0 321.465 0.899 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070685 773394016 /nfs/dbraw/zinc/39/40/16/773394016.db2.gz QBMFWNDNRITHQK-RBSFLKMASA-N 2 0 322.453 0.209 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001208334920 773435968 /nfs/dbraw/zinc/43/59/68/773435968.db2.gz OFJFDYAYYVKMOB-HOCLYGCPSA-N 2 0 322.453 0.209 20 30 DCEDRP COCC#CCN1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001196164216 773549453 /nfs/dbraw/zinc/54/94/53/773549453.db2.gz YYSPRGGNVAGXOZ-MRXNPFEDSA-N 2 0 307.438 0.511 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001209251335 773575527 /nfs/dbraw/zinc/57/55/27/773575527.db2.gz NVYRBUSTZCDNNO-YESZJQIVSA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001210060171 773672236 /nfs/dbraw/zinc/67/22/36/773672236.db2.gz CJYMTVHMQHPXAJ-MRXNPFEDSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210217474 773686093 /nfs/dbraw/zinc/68/60/93/773686093.db2.gz IXICCNHNZMYIQG-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001210773443 773735547 /nfs/dbraw/zinc/73/55/47/773735547.db2.gz JKQTUPHCCXRFDH-HNNXBMFYSA-N 2 0 322.453 0.048 20 30 DCEDRP C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001197691645 773784487 /nfs/dbraw/zinc/78/44/87/773784487.db2.gz LUKUGSMLHUAZDR-OAHLLOKOSA-N 2 0 324.469 0.553 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]C[C@@H](C)OC)C2)CC1 ZINC001211233955 773784574 /nfs/dbraw/zinc/78/45/74/773784574.db2.gz RSVRLAXLPBRLPQ-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)CN1CCCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001197707916 773788658 /nfs/dbraw/zinc/78/86/58/773788658.db2.gz QUCZJWVTOFAUAO-UHFFFAOYSA-N 2 0 310.442 0.165 20 30 DCEDRP CC[N@@H+]1CCC[C@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303885454 774014966 /nfs/dbraw/zinc/01/49/66/774014966.db2.gz NENPAHKBWAMQBN-OAHLLOKOSA-N 2 0 311.474 0.345 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214973081 774029312 /nfs/dbraw/zinc/02/93/12/774029312.db2.gz LXCDFYVVGXZYRO-KFWWJZLASA-N 2 0 322.453 0.209 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001215551668 774082401 /nfs/dbraw/zinc/08/24/01/774082401.db2.gz VZYLLXAJFXAPDR-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP N#Cc1cc2cccnc2nc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218541495 774242169 /nfs/dbraw/zinc/24/21/69/774242169.db2.gz INKGRDTYBTZFBQ-LBPRGKRZSA-N 2 0 308.345 0.249 20 30 DCEDRP Cc1cc(C#N)c(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)s1 ZINC001218555719 774245626 /nfs/dbraw/zinc/24/56/26/774245626.db2.gz SSKWAWJVIBXASA-LBPRGKRZSA-N 2 0 307.423 0.617 20 30 DCEDRP N#Cc1c(NC(=O)[C@@H]2C[NH2+]CC[C@H]2O)sc2c1CC[NH2+]C2 ZINC001218552462 774246289 /nfs/dbraw/zinc/24/62/89/774246289.db2.gz GNFQMLPQGBAYDT-GHMZBOCLSA-N 2 0 306.391 0.174 20 30 DCEDRP C#CCN1C[C@H]2OCCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@H]2C1 ZINC001218623587 774265960 /nfs/dbraw/zinc/26/59/60/774265960.db2.gz CTCQJFSKKJKNTE-HRCADAONSA-N 2 0 307.438 0.652 20 30 DCEDRP N#Cc1cc(N)c(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1C#N ZINC001218987251 774340754 /nfs/dbraw/zinc/34/07/54/774340754.db2.gz KRDUTCULKKTDAL-CQSZACIVSA-N 2 0 324.388 0.825 20 30 DCEDRP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001200658319 774392354 /nfs/dbraw/zinc/39/23/54/774392354.db2.gz KQKXXXAADIKWFR-CVEARBPZSA-N 2 0 305.422 0.454 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)CCCO1 ZINC001201403603 774501576 /nfs/dbraw/zinc/50/15/76/774501576.db2.gz NCZJIDUVDJUANQ-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CCCO1 ZINC001201908628 774577174 /nfs/dbraw/zinc/57/71/74/774577174.db2.gz NKOXSGMDCVLRNE-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219801993 774613928 /nfs/dbraw/zinc/61/39/28/774613928.db2.gz BZXFTZDIXIJVRZ-KFWWJZLASA-N 2 0 309.454 0.987 20 30 DCEDRP C=CCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220484485 774824941 /nfs/dbraw/zinc/82/49/41/774824941.db2.gz GTBYQYKURXLSNT-KBPBESRZSA-N 2 0 310.442 0.516 20 30 DCEDRP COC(=O)c1ccc(C(N)=NC(=O)C[C@@H]([NH3+])CCCC[NH3+])cc1 ZINC001220581865 774853394 /nfs/dbraw/zinc/85/33/94/774853394.db2.gz WMLYENPENAMJFO-ZDUSSCGKSA-N 2 0 320.393 0.552 20 30 DCEDRP C#C[C@](C)([NH3+])C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220611363 774863614 /nfs/dbraw/zinc/86/36/14/774863614.db2.gz WQXTXYCKNQFECH-AAEUAGOBSA-N 2 0 310.195 0.916 20 30 DCEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001114465343 774883770 /nfs/dbraw/zinc/88/37/70/774883770.db2.gz DNUUXPIFSRGYDH-ZSHCYNCHSA-N 2 0 321.465 0.967 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC001114465512 774884390 /nfs/dbraw/zinc/88/43/90/774884390.db2.gz HUBGNSWXPCPYMA-XUWVNRHRSA-N 2 0 305.422 0.167 20 30 DCEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220806895 774920596 /nfs/dbraw/zinc/92/05/96/774920596.db2.gz LOTFAXLRXMNDFY-CABCVRRESA-N 2 0 313.442 0.082 20 30 DCEDRP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976047 774966922 /nfs/dbraw/zinc/96/69/22/774966922.db2.gz HCUOSTCFNGUWHP-XHSDSOJGSA-N 2 0 309.454 0.846 20 30 DCEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001111411773 775849425 /nfs/dbraw/zinc/84/94/25/775849425.db2.gz VOEMHHZRRICBED-JJXSEGSLSA-N 2 0 307.438 0.862 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228255456 776059737 /nfs/dbraw/zinc/05/97/37/776059737.db2.gz XHKAGOPZMPBKBP-HUUCEWRRSA-N 2 0 324.469 0.647 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001228602598 776102006 /nfs/dbraw/zinc/10/20/06/776102006.db2.gz ICJDCRCYSAZOGN-GVDBMIGSSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001114849860 776249083 /nfs/dbraw/zinc/24/90/83/776249083.db2.gz ZBUGJMPFTUPACB-DZFIZOCASA-N 2 0 311.429 0.841 20 30 DCEDRP CCC[N@H+](C)CCC(=O)NC1CC[NH+](CC#CCOC)CC1 ZINC001230107374 776254033 /nfs/dbraw/zinc/25/40/33/776254033.db2.gz BVQKIFVBDDDKSI-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[N@H+]1CC[C@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@H]21 ZINC001042291990 777841995 /nfs/dbraw/zinc/84/19/95/777841995.db2.gz JVOYOHYGNQNMQS-DOTOQJQBSA-N 2 0 319.449 0.653 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001278292428 945210047 /nfs/dbraw/zinc/21/00/47/945210047.db2.gz FOZBMWLGYZSOBR-UKRRQHHQSA-N 2 0 322.453 0.209 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001267041231 939321253 /nfs/dbraw/zinc/32/12/53/939321253.db2.gz MAYCUXTURWMCNL-RDJZCZTQSA-N 2 0 319.449 0.416 20 30 DCEDRP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001267657987 939615162 /nfs/dbraw/zinc/61/51/62/939615162.db2.gz JTNPYZJECCVWPE-MRXNPFEDSA-N 2 0 321.465 0.758 20 30 DCEDRP C#CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001279738894 939615247 /nfs/dbraw/zinc/61/52/47/939615247.db2.gz YPZPSBFEWPLPNY-HOTGVXAUSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CCNC(=O)CN1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267791190 939683836 /nfs/dbraw/zinc/68/38/36/939683836.db2.gz VWTNUJCEISZCQN-LSDHHAIUSA-N 2 0 322.453 0.163 20 30 DCEDRP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC#CCOC ZINC001267805597 939686048 /nfs/dbraw/zinc/68/60/48/939686048.db2.gz QZBSOOVHMKPMHV-CVEARBPZSA-N 2 0 309.454 0.993 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)CC#CCOC)C1 ZINC001481504109 939905395 /nfs/dbraw/zinc/90/53/95/939905395.db2.gz KVWRVTHBHRFCIQ-MRXNPFEDSA-N 2 0 309.454 0.758 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001268269750 940012942 /nfs/dbraw/zinc/01/29/42/940012942.db2.gz VQJJSASEMHXEBA-CABCVRRESA-N 2 0 322.453 0.163 20 30 DCEDRP CC#CC[NH2+][C@H](CC)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001481858684 940161242 /nfs/dbraw/zinc/16/12/42/940161242.db2.gz ZLZYESZGGNQWFX-OAHLLOKOSA-N 2 0 305.426 0.566 20 30 DCEDRP COCC#CC[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001481910578 940179288 /nfs/dbraw/zinc/17/92/88/940179288.db2.gz RWDKSJKXMPPPND-UHFFFAOYSA-N 2 0 319.449 0.751 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]C[C@H](C)OC)CC1 ZINC001270194887 940853529 /nfs/dbraw/zinc/85/35/29/940853529.db2.gz WUHXCRJWJRMECN-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001271679248 941421735 /nfs/dbraw/zinc/42/17/35/941421735.db2.gz WVWDXUIHZXTRRP-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001271711919 941427970 /nfs/dbraw/zinc/42/79/70/941427970.db2.gz MUNSIWMJNIIMSU-LSDHHAIUSA-N 2 0 322.453 0.069 20 30 DCEDRP C=CCC[C@@H](C)[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001258721438 942098085 /nfs/dbraw/zinc/09/80/85/942098085.db2.gz VOTDUGCNXMJRKY-MRXNPFEDSA-N 2 0 318.458 0.956 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483485906 942381910 /nfs/dbraw/zinc/38/19/10/942381910.db2.gz OEKTZSHRRDCNOW-CABCVRRESA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077440092 942404793 /nfs/dbraw/zinc/40/47/93/942404793.db2.gz DGICPSDYKBQJKX-OAGGEKHMSA-N 2 0 307.438 0.598 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001272301517 942674435 /nfs/dbraw/zinc/67/44/35/942674435.db2.gz JTVFZNRSEYWWQH-SJORKVTESA-N 2 0 321.465 0.853 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001272520338 942800522 /nfs/dbraw/zinc/80/05/22/942800522.db2.gz HGSODYBRZQIBCK-XJKSGUPXSA-N 2 0 313.417 0.289 20 30 DCEDRP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001272565810 942828326 /nfs/dbraw/zinc/82/83/26/942828326.db2.gz OZUDRIZOPKIGNR-IRXDYDNUSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001483745051 942846370 /nfs/dbraw/zinc/84/63/70/942846370.db2.gz VMYPQVASRIAYPW-ZIAGYGMSSA-N 2 0 322.453 0.400 20 30 DCEDRP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001484225371 943220952 /nfs/dbraw/zinc/22/09/52/943220952.db2.gz XIRQMCJUQPZDFL-INIZCTEOSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001484355316 943333756 /nfs/dbraw/zinc/33/37/56/943333756.db2.gz FQPSAEFPYQCUSJ-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001484414999 943364213 /nfs/dbraw/zinc/36/42/13/943364213.db2.gz JVRPAXKMMWNPNZ-IYBDPMFKSA-N 2 0 307.438 0.367 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001484842345 943591220 /nfs/dbraw/zinc/59/12/20/943591220.db2.gz XUTLVUJWQHPEAT-LZLYRXPVSA-N 2 0 321.465 0.683 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001491055041 943728277 /nfs/dbraw/zinc/72/82/77/943728277.db2.gz JQSMNCNJMNFXIX-MQYQWHSLSA-N 2 0 310.442 0.254 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCOC(C)C)C2)CC1 ZINC001491081164 943738123 /nfs/dbraw/zinc/73/81/23/943738123.db2.gz YMAAAPCPAXLGNE-CALCHBBNSA-N 2 0 321.465 0.993 20 30 DCEDRP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001491235621 943852972 /nfs/dbraw/zinc/85/29/72/943852972.db2.gz FBEXJWRMJWBGHV-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[N@H+](C)CCOCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001485773155 944130661 /nfs/dbraw/zinc/13/06/61/944130661.db2.gz UTJZNEBAJYAAPQ-UHFFFAOYSA-N 2 0 321.465 0.950 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001486240216 944664351 /nfs/dbraw/zinc/66/43/51/944664351.db2.gz JYOATOXIEVAZOJ-CYBMUJFWSA-N 2 0 310.442 0.067 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CC12CC[NH+](CC#CCOC)CC2 ZINC001317004764 944733142 /nfs/dbraw/zinc/73/31/42/944733142.db2.gz DALXYCYXEXDLER-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+](CC#CCOC)C1 ZINC001317143232 944821581 /nfs/dbraw/zinc/82/15/81/944821581.db2.gz LNSTZWKCXKDFPZ-MRXNPFEDSA-N 2 0 309.454 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001317217617 944858424 /nfs/dbraw/zinc/85/84/24/944858424.db2.gz USTJUQCSNKFYSD-YMAMQOFZSA-N 2 0 324.469 0.646 20 30 DCEDRP CC#CC[NH2+]CCCOCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001277603881 944903118 /nfs/dbraw/zinc/90/31/18/944903118.db2.gz LEPJCQWYZPIFAR-MRXNPFEDSA-N 2 0 307.438 0.464 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001317321151 944923329 /nfs/dbraw/zinc/92/33/29/944923329.db2.gz DMYWPLAUPFGBFC-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001317341445 944932082 /nfs/dbraw/zinc/93/20/82/944932082.db2.gz ACQSUCPYKMYGII-HOTGVXAUSA-N 2 0 309.454 0.969 20 30 DCEDRP CC#CC[NH2+]CCOCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001486498408 944938898 /nfs/dbraw/zinc/93/88/98/944938898.db2.gz UEJHWXOLKHUJGP-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CC[N@@H+](CCNC(=O)C(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC001317552672 945046838 /nfs/dbraw/zinc/04/68/38/945046838.db2.gz AWPCHHARIKEKBU-UHFFFAOYSA-N 2 0 307.438 0.559 20 30 DCEDRP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC#CCOC ZINC001318563302 945401995 /nfs/dbraw/zinc/40/19/95/945401995.db2.gz VJLYREGXYVHSAV-JYJNAYRXSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001278543101 945652109 /nfs/dbraw/zinc/65/21/09/945652109.db2.gz XOHQSLGTOJBGOR-YOEHRIQHSA-N 2 0 324.469 0.457 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001278786559 946396847 /nfs/dbraw/zinc/39/68/47/946396847.db2.gz QWHMHZQWSYCJJK-MRXNPFEDSA-N 2 0 323.481 0.931 20 30 DCEDRP CC[C@@H](CC#N)[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001255158277 946474877 /nfs/dbraw/zinc/47/48/77/946474877.db2.gz GNYVYWXYNUPZHL-HNNXBMFYSA-N 2 0 317.430 0.293 20 30 DCEDRP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001278859564 946491204 /nfs/dbraw/zinc/49/12/04/946491204.db2.gz DKZZJFYRRYVWMT-HOTGVXAUSA-N 2 0 309.454 0.635 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001324261009 947369683 /nfs/dbraw/zinc/36/96/83/947369683.db2.gz NFWMYDHGCBCLEH-HNNXBMFYSA-N 2 0 305.422 0.313 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001324456273 947431326 /nfs/dbraw/zinc/43/13/26/947431326.db2.gz UCZKJDBPDTZWJM-DLBZAZTESA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCCN1CC2(C1)CC[C@H](CNC(=O)C[N@@H+](C)C1CCC1)O2 ZINC001273662271 948011769 /nfs/dbraw/zinc/01/17/69/948011769.db2.gz NOFVNXUWULTYPK-MRXNPFEDSA-N 2 0 319.449 0.844 20 30 DCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC001326589084 948207282 /nfs/dbraw/zinc/20/72/82/948207282.db2.gz NOMRCFGMNBZNSE-XQLPTFJDSA-N 2 0 308.426 0.895 20 30 DCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)CCO1 ZINC001326988136 948353855 /nfs/dbraw/zinc/35/38/55/948353855.db2.gz KRTYXVNZNTVLKV-UONOGXRCSA-N 2 0 301.406 0.669 20 30 DCEDRP CC#CC[NH2+]CC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001327669263 948590168 /nfs/dbraw/zinc/59/01/68/948590168.db2.gz GDGZFGMLDFIMNU-OAHLLOKOSA-N 2 0 307.438 0.607 20 30 DCEDRP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001273902322 948671748 /nfs/dbraw/zinc/67/17/48/948671748.db2.gz AXABLRMSPBFZMV-RDJZCZTQSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[NH2+]C1(C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001328050612 948697470 /nfs/dbraw/zinc/69/74/70/948697470.db2.gz PJLWDCFKUHCUGE-UHFFFAOYSA-N 2 0 307.438 0.703 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001263865823 948788902 /nfs/dbraw/zinc/78/89/02/948788902.db2.gz VLIPDRASETXDKG-KKUMJFAQSA-N 2 0 300.406 0.953 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1OCC ZINC001264537590 948996596 /nfs/dbraw/zinc/99/65/96/948996596.db2.gz PLCPSYQTILYGEN-NUJGCVRESA-N 2 0 319.449 0.559 20 30 DCEDRP COCC#CC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001328875681 949158867 /nfs/dbraw/zinc/15/88/67/949158867.db2.gz JBWAMAOZEFTRLE-UYSNPLJNSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1COCCN1C1CCCC1 ZINC001329514622 949653280 /nfs/dbraw/zinc/65/32/80/949653280.db2.gz FREBJLFATYSASV-HOCLYGCPSA-N 2 0 307.438 0.700 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265443844 949693843 /nfs/dbraw/zinc/69/38/43/949693843.db2.gz GTNJHLKVMXSDTC-KGLIPLIRSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCCOC)C2)CC1 ZINC001265571145 949776354 /nfs/dbraw/zinc/77/63/54/949776354.db2.gz FXVKONLZWATYFX-IYBDPMFKSA-N 2 0 307.438 0.605 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001265594662 949804594 /nfs/dbraw/zinc/80/45/94/949804594.db2.gz HMWUUMMOUHIKNY-DLBZAZTESA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001265874504 950070849 /nfs/dbraw/zinc/07/08/49/950070849.db2.gz FVBMKIOHHXVBOI-LSDHHAIUSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1=O ZINC001265947440 950179556 /nfs/dbraw/zinc/17/95/56/950179556.db2.gz LLXFVOAFKVHOMW-GJZGRUSLSA-N 2 0 322.453 0.304 20 30 DCEDRP C=CCOCC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001330359393 950306121 /nfs/dbraw/zinc/30/61/21/950306121.db2.gz HYSXYLJCWXRQHN-VQHPVUNQSA-N 2 0 321.465 0.825 20 30 DCEDRP COCC#CC[NH2+]CCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001330956425 950788982 /nfs/dbraw/zinc/78/89/82/950788982.db2.gz YIOGHSGUPNHGBI-JKSUJKDBSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001332325683 951586383 /nfs/dbraw/zinc/58/63/83/951586383.db2.gz YVZKYJJQHNDRRU-HOTGVXAUSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001274619742 951743325 /nfs/dbraw/zinc/74/33/25/951743325.db2.gz CJVNOPFRPYSRFP-DOTOQJQBSA-N 2 0 309.454 0.942 20 30 DCEDRP C=C[C@@](C)(O)C[N@H+]1CCC[C@]12CCN(Cc1cncn1C)C2=O ZINC001274617277 951743608 /nfs/dbraw/zinc/74/36/08/951743608.db2.gz WTVOQKLPRAZDPP-IAGOWNOFSA-N 2 0 318.421 0.924 20 30 DCEDRP C=CCN1CC[C@]2(CC[N@@H+](C[C@@H](O)C[NH+](CC)CC)C2)C1=O ZINC001274656839 951769220 /nfs/dbraw/zinc/76/92/20/951769220.db2.gz RXIRKXZMHYXSOA-RDJZCZTQSA-N 2 0 309.454 0.800 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001280707015 951770351 /nfs/dbraw/zinc/77/03/51/951770351.db2.gz FSMRZUBPYMCDJD-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001279173084 951920742 /nfs/dbraw/zinc/92/07/42/951920742.db2.gz YDTSJRAMBVXSGZ-JKSUJKDBSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)CN(C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001275929009 952532955 /nfs/dbraw/zinc/53/29/55/952532955.db2.gz WHGMWHDSZRVQIR-ZIAGYGMSSA-N 2 0 310.442 0.067 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001341541945 953237410 /nfs/dbraw/zinc/23/74/10/953237410.db2.gz ZYINODXZIUFWNY-SYQHCUMBSA-N 2 0 322.409 0.064 20 30 DCEDRP CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC#CCOC)[NH+](C)C ZINC001281965242 953433775 /nfs/dbraw/zinc/43/37/75/953433775.db2.gz PPXSDEXYDNJLRA-HOTGVXAUSA-N 2 0 309.454 0.899 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001282872115 953711343 /nfs/dbraw/zinc/71/13/43/953711343.db2.gz PQIHACSPRUMWFY-WCXIOVBPSA-N 2 0 319.449 0.415 20 30 DCEDRP C#CC[N@@H+](C)CCOCCNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001283405951 954329916 /nfs/dbraw/zinc/32/99/16/954329916.db2.gz CFICHZYMOLXUBE-ZIAGYGMSSA-N 2 0 304.394 0.221 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001284178861 954905133 /nfs/dbraw/zinc/90/51/33/954905133.db2.gz JJHDRQKWFYNFHL-HOTGVXAUSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001480516736 956099394 /nfs/dbraw/zinc/09/93/94/956099394.db2.gz XIVKKZSADSRYHI-KGLIPLIRSA-N 2 0 324.469 0.646 20 30 DCEDRP C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001317521858 960269222 /nfs/dbraw/zinc/26/92/22/960269222.db2.gz FKDNSEWNLYJGTE-DOTOQJQBSA-N 2 0 321.465 0.969 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001328764268 960333306 /nfs/dbraw/zinc/33/33/06/960333306.db2.gz JXQZZVODAQBDAB-MRXNPFEDSA-N 2 0 309.454 0.901 20 30 DCEDRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cccc(C#N)c2)C1 ZINC001369381522 964861759 /nfs/dbraw/zinc/86/17/59/964861759.db2.gz KQQDBMRBMLJRMR-JKSUJKDBSA-N 2 0 316.405 0.077 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001394748264 994102237 /nfs/dbraw/zinc/10/22/37/994102237.db2.gz ZTFXKDBWAUAQDE-STQMWFEESA-N 2 0 305.850 0.734 20 30 DCEDRP C=CC[NH2+]CC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCOCC1 ZINC001502626324 1016004495 /nfs/dbraw/zinc/00/44/95/1016004495.db2.gz WABHANPCXCWGLV-HNNXBMFYSA-N 2 0 307.438 0.769 20 30 DCEDRP C#CCC[NH2+][C@H](CO)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001507264827 1016197359 /nfs/dbraw/zinc/19/73/59/1016197359.db2.gz LTKRJBLCTFZNRB-INIZCTEOSA-N 2 0 303.406 0.452 20 30 DCEDRP COCC#CC[NH2+]CC1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001505518663 1016283882 /nfs/dbraw/zinc/28/38/82/1016283882.db2.gz RNGAWEMZPDCCPW-FHERZECASA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCOC)C2)CC1 ZINC001507427825 1016321302 /nfs/dbraw/zinc/32/13/02/1016321302.db2.gz LQUOYORDLLNRHO-RDJZCZTQSA-N 2 0 321.465 0.853 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001401619629 1000557231 /nfs/dbraw/zinc/55/72/31/1000557231.db2.gz QGHOTJPYMIRDLJ-GFCCVEGCSA-N 2 0 313.833 0.905 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001507507899 1016433771 /nfs/dbraw/zinc/43/37/71/1016433771.db2.gz WFKRIEQXEIVFAS-CVEARBPZSA-N 2 0 309.454 0.682 20 30 DCEDRP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC001403707493 1002396625 /nfs/dbraw/zinc/39/66/25/1002396625.db2.gz WADHFBKTNXFQGA-FZMZJTMJSA-N 2 0 324.450 0.527 20 30 DCEDRP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001500018697 1018174613 /nfs/dbraw/zinc/17/46/13/1018174613.db2.gz NAIDNLLEZUKNIC-HOTGVXAUSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CCOC)CC1 ZINC001500054214 1018191615 /nfs/dbraw/zinc/19/16/15/1018191615.db2.gz JTTHJUWTFHOHNR-MRXNPFEDSA-N 2 0 309.454 0.899 20 30 DCEDRP COCC#CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001495297970 1018450409 /nfs/dbraw/zinc/45/04/09/1018450409.db2.gz HJSXPISMNLUHKM-WMLDXEAASA-N 2 0 307.438 0.462 20 30 DCEDRP COCC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001495398835 1018489192 /nfs/dbraw/zinc/48/91/92/1018489192.db2.gz ZTIUZKGQELKBER-IAGOWNOFSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCCC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001500725843 1018612492 /nfs/dbraw/zinc/61/24/92/1018612492.db2.gz VJRFBWNHSFLCCI-NVXWUHKLSA-N 2 0 309.454 0.847 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001480648962 1018740378 /nfs/dbraw/zinc/74/03/78/1018740378.db2.gz RFZSLOHSHAXMKD-ZBFHGGJFSA-N 2 0 324.469 0.313 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001480665094 1018755692 /nfs/dbraw/zinc/75/56/92/1018755692.db2.gz ITDODQCLKRDOGM-HOTGVXAUSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCO1 ZINC001502072980 1019685783 /nfs/dbraw/zinc/68/57/83/1019685783.db2.gz XSTMHILHHVQFBP-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP C[C@@H]1C[NH+]=C(NCc2cccc(CNC3=[NH+]C[C@@H](C)N3)c2)N1 ZINC000262633235 238178064 /nfs/dbraw/zinc/17/80/64/238178064.db2.gz GDHYJOBTNZPYQP-VXGBXAGGSA-N 2 0 300.410 0.561 20 30 DCEDRP COCCN(C)CCNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000264066264 238188942 /nfs/dbraw/zinc/18/89/42/238188942.db2.gz BFJZWJSIGCLNIO-UHFFFAOYSA-N 2 0 324.425 0.686 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000491251807 533103818 /nfs/dbraw/zinc/10/38/18/533103818.db2.gz CGJBGDSKQNOUBZ-INIZCTEOSA-N 2 0 323.485 0.124 20 30 DCEDRP CCc1nn(C)c(OC)c1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000092854343 395733941 /nfs/dbraw/zinc/73/39/41/395733941.db2.gz YKTSXPZRRCGJGZ-LBPRGKRZSA-N 2 0 322.457 0.880 20 30 DCEDRP CN(CCC#N)C[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000580182967 396491505 /nfs/dbraw/zinc/49/15/05/396491505.db2.gz MQQRMPJQDOYNOI-IKGGRYGDSA-N 2 0 324.469 0.160 20 30 DCEDRP CC1CCN(C(=[NH2+])NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000303376437 396725219 /nfs/dbraw/zinc/72/52/19/396725219.db2.gz OIWNFRRGUHFTQY-OAHLLOKOSA-N 2 0 323.485 0.976 20 30 DCEDRP C=CCN1CC[C@H]([NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C1=O ZINC000333854754 415752954 /nfs/dbraw/zinc/75/29/54/415752954.db2.gz OHHHVQDLLIFUAI-JYJNAYRXSA-N 2 0 307.438 0.992 20 30 DCEDRP O=C(NCC[NH+]1CCC1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000328647725 416124239 /nfs/dbraw/zinc/12/42/39/416124239.db2.gz ACIVQSYOWUXXJH-CABCVRRESA-N 2 0 310.442 0.574 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000184408228 416252089 /nfs/dbraw/zinc/25/20/89/416252089.db2.gz GYAORTVVUYLWHV-INIZCTEOSA-N 2 0 320.481 0.474 20 30 DCEDRP COCCNC(=[NH2+])NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190528323 416280130 /nfs/dbraw/zinc/28/01/30/416280130.db2.gz IKXNBLMMLACLOY-MRXNPFEDSA-N 2 0 320.437 0.828 20 30 DCEDRP C#CCNC(=O)CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000491119810 416585760 /nfs/dbraw/zinc/58/57/60/416585760.db2.gz JTSDWIOBXJAFOJ-SJPCQFCGSA-N 2 0 318.465 0.369 20 30 DCEDRP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000491785103 416628224 /nfs/dbraw/zinc/62/82/24/416628224.db2.gz ROZYVHXRNUKZON-OAHLLOKOSA-N 2 0 324.469 0.428 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369398077 416766562 /nfs/dbraw/zinc/76/65/62/416766562.db2.gz LMHLGLRQAZAWQX-CVEARBPZSA-N 2 0 308.470 0.777 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659706365 418155087 /nfs/dbraw/zinc/15/50/87/418155087.db2.gz JHYGOMJXQSNSJQ-UHFFFAOYSA-N 2 0 310.442 0.339 20 30 DCEDRP C[NH2+]CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000418317498 262274888 /nfs/dbraw/zinc/27/48/88/262274888.db2.gz MSUZMUIIMXETKC-UHFFFAOYSA-N 2 0 315.421 0.995 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000583093289 337239935 /nfs/dbraw/zinc/23/99/35/337239935.db2.gz INUFSYMMRVQEJP-UHFFFAOYSA-N 2 0 305.426 0.825 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420338505 337499535 /nfs/dbraw/zinc/49/95/35/337499535.db2.gz ROZJEQFIKMXOKZ-BNOWGMLFSA-N 2 0 324.425 0.215 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430563046 338108711 /nfs/dbraw/zinc/10/87/11/338108711.db2.gz UBFULLLJWWDIJI-GFCCVEGCSA-N 2 0 312.414 0.217 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001569307077 1161006561 /nfs/dbraw/zinc/00/65/61/1161006561.db2.gz AZHOKXVMMXXECU-CVEARBPZSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCC[C@H](C)[NH+]1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001569781955 1161244858 /nfs/dbraw/zinc/24/48/58/1161244858.db2.gz MGRXECMOEUNXTL-AWEZNQCLSA-N 2 0 309.454 0.846 20 30 DCEDRP COc1ccccc1CNC(=[NH2+])NCCC[NH+]1CCC(O)CC1 ZINC000170913381 534076188 /nfs/dbraw/zinc/07/61/88/534076188.db2.gz LYVBRQZNGFNCSF-UHFFFAOYSA-N 2 0 320.437 0.946 20 30 DCEDRP C[NH+]=C(NC[C@@]1(O)CCSC1)NC1CC[NH+](C2CC2)CC1 ZINC000262414018 526375437 /nfs/dbraw/zinc/37/54/37/526375437.db2.gz PTGKJNDPQKNRLG-HNNXBMFYSA-N 2 0 312.483 0.646 20 30 DCEDRP CC[NH+](CC)CCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264100358 528091606 /nfs/dbraw/zinc/09/16/06/528091606.db2.gz MSGNVWWRYPCLGR-UHFFFAOYSA-N 2 0 305.430 0.255 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)Cc1ccccc1 ZINC000264308405 529074120 /nfs/dbraw/zinc/07/41/20/529074120.db2.gz UMRGRRUJMLMYBG-CVEARBPZSA-N 2 0 304.438 0.979 20 30 DCEDRP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000978171544 660493778 /nfs/dbraw/zinc/49/37/78/660493778.db2.gz ASROVZMJKYYWSH-VQHPVUNQSA-N 2 0 301.434 0.646 20 30 DCEDRP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000981209012 661101364 /nfs/dbraw/zinc/10/13/64/661101364.db2.gz DLFLWHMJOJXPCO-HOTGVXAUSA-N 2 0 307.438 0.960 20 30 DCEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000999145661 665585308 /nfs/dbraw/zinc/58/53/08/665585308.db2.gz OQZMQPAONWBESZ-RDVIWEACSA-N 2 0 305.422 0.615 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCOC3)C2)CC1 ZINC001021089336 658750425 /nfs/dbraw/zinc/75/04/25/658750425.db2.gz DXMLAEHYIIDTRG-DJIMGWMZSA-N 2 0 319.449 0.605 20 30 DCEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031856559 665656882 /nfs/dbraw/zinc/65/68/82/665656882.db2.gz CENWCJYCHNAGSO-GNHJJJEISA-N 2 0 305.422 0.474 20 30 DCEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031856560 665656929 /nfs/dbraw/zinc/65/69/29/665656929.db2.gz CENWCJYCHNAGSO-GULBITTBSA-N 2 0 305.422 0.474 20 30 DCEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001027498914 659629079 /nfs/dbraw/zinc/62/90/79/659629079.db2.gz QIMYGYNQSWIXFF-GARNVTTQSA-N 2 0 319.449 0.958 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001028547255 661605029 /nfs/dbraw/zinc/60/50/29/661605029.db2.gz PIVADRVBBBDWDH-OAHLLOKOSA-N 2 0 317.437 0.520 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001028683678 661757613 /nfs/dbraw/zinc/75/76/13/661757613.db2.gz RILCSASXGARKMP-AWEZNQCLSA-N 2 0 309.373 0.952 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698175 661764655 /nfs/dbraw/zinc/76/46/55/661764655.db2.gz BRRSNNHESLTZJW-VUGNNNGISA-N 2 0 319.449 0.864 20 30 DCEDRP C[NH+](C)CCCN(CCC#N)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896889486 662345738 /nfs/dbraw/zinc/34/57/38/662345738.db2.gz AKGGTVYQEIKIIJ-OAHLLOKOSA-N 2 0 308.426 0.401 20 30 DCEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000985543756 662476309 /nfs/dbraw/zinc/47/63/09/662476309.db2.gz RMMDWGWQWGGYDG-HQVVEAJESA-N 2 0 317.433 0.406 20 30 DCEDRP C#CCN(C(=S)NC1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000899613866 663158147 /nfs/dbraw/zinc/15/81/47/663158147.db2.gz RHXHLPMRSJGWNK-UHFFFAOYSA-N 2 0 308.495 0.985 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000900674998 663270360 /nfs/dbraw/zinc/27/03/60/663270360.db2.gz NRRMMSMGQKQHLM-HNNXBMFYSA-N 2 0 308.470 0.779 20 30 DCEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001772513885 1157398920 /nfs/dbraw/zinc/39/89/20/1157398920.db2.gz PXWLKVQZXNODAX-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000911704519 664103870 /nfs/dbraw/zinc/10/38/70/664103870.db2.gz FLHFRJCWLOFTKV-CABCVRRESA-N 2 0 322.453 0.340 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](CCO)CC3)CC1 ZINC000992513162 664730569 /nfs/dbraw/zinc/73/05/69/664730569.db2.gz VPXBUQMQMBUEKV-WMZOPIPTSA-N 2 0 319.449 0.437 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000921434262 665304183 /nfs/dbraw/zinc/30/41/83/665304183.db2.gz FKQPKMATPALBKU-CZUORRHYSA-N 2 0 304.438 0.866 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000941566312 666023687 /nfs/dbraw/zinc/02/36/87/666023687.db2.gz BFBANEGZRBDLSE-INIZCTEOSA-N 2 0 320.481 0.875 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033280063 666659889 /nfs/dbraw/zinc/65/98/89/666659889.db2.gz ZVFACSLYXBREGT-NDUQDZPOSA-N 2 0 317.433 0.406 20 30 DCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C[C@H]1C ZINC001036310923 667435383 /nfs/dbraw/zinc/43/53/83/667435383.db2.gz NFUZWBCMOWOZPG-NVXWUHKLSA-N 2 0 301.434 0.791 20 30 DCEDRP C[C@H]1CCC[N@H+](CCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884188217 667493332 /nfs/dbraw/zinc/49/33/32/667493332.db2.gz BSLXHSTXBRTDRS-UJEKJILKSA-N 2 0 304.438 0.974 20 30 DCEDRP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923515800 667551933 /nfs/dbraw/zinc/55/19/33/667551933.db2.gz MLIBESWQOVIGPR-XHSDSOJGSA-N 2 0 301.390 0.839 20 30 DCEDRP C#CCN(C(=O)C[N@@H+](C)[C@H]1CCSC1)C1CC[NH+](C)CC1 ZINC000886580039 667778847 /nfs/dbraw/zinc/77/88/47/667778847.db2.gz SNJRLVXGHUPPEE-HNNXBMFYSA-N 2 0 309.479 0.980 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000747568414 667907117 /nfs/dbraw/zinc/90/71/17/667907117.db2.gz VDKQGORVTHSFPL-LTIDMASMSA-N 2 0 319.449 0.794 20 30 DCEDRP C#CCNC(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000755234443 668058143 /nfs/dbraw/zinc/05/81/43/668058143.db2.gz BUJMITYEZKFAGU-UHFFFAOYSA-N 2 0 306.454 0.085 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000876781991 668510355 /nfs/dbraw/zinc/51/03/55/668510355.db2.gz KTPMEEWSEDXMSA-TZMCWYRMSA-N 2 0 316.877 0.846 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000876781888 668510582 /nfs/dbraw/zinc/51/05/82/668510582.db2.gz KTPMEEWSEDXMSA-GXTWGEPZSA-N 2 0 316.877 0.846 20 30 DCEDRP C#CC1(O)CC[NH+](C/C=C\C[NH+]2CCC(O)(C#C)CC2)CC1 ZINC000931150548 669142885 /nfs/dbraw/zinc/14/28/85/669142885.db2.gz GDGIZYOXZYKERG-WAYWQWQTSA-N 2 0 302.418 0.463 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CCO)C2)CC1 ZINC001036903964 670270530 /nfs/dbraw/zinc/27/05/30/670270530.db2.gz KCDVZVQIDBJTFA-IAGOWNOFSA-N 2 0 319.449 0.247 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000854093230 670523858 /nfs/dbraw/zinc/52/38/58/670523858.db2.gz ZKYUCMUIUAZDNT-MRXNPFEDSA-N 2 0 322.453 0.182 20 30 DCEDRP CC[NH+]1CCN([C@@H](C)CNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852872301 671181704 /nfs/dbraw/zinc/18/17/04/671181704.db2.gz DKPMBTVQXVAIEN-HNNXBMFYSA-N 2 0 306.454 0.132 20 30 DCEDRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)C1 ZINC000852873448 671182652 /nfs/dbraw/zinc/18/26/52/671182652.db2.gz VPSXOKQEZIZOLA-QGZVFWFLSA-N 2 0 318.465 0.228 20 30 DCEDRP [NH3+][C@H]1CCc2nc(NC(=O)C#CC3CC[NH2+]CC3)sc2C1 ZINC000852881697 671184085 /nfs/dbraw/zinc/18/40/85/671184085.db2.gz ZXRAQQDVCBLOLO-NSHDSACASA-N 2 0 304.419 0.901 20 30 DCEDRP CCC[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000852893794 671188666 /nfs/dbraw/zinc/18/86/66/671188666.db2.gz KKTXZEUUCHLNBA-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP [NH2+]=C(NCCC[NH+]1CCC(O)CC1)NCCc1ccccc1 ZINC000303867634 685207173 /nfs/dbraw/zinc/20/71/73/685207173.db2.gz ABVVKHSYKUNNOC-UHFFFAOYSA-N 2 0 304.438 0.980 20 30 DCEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC000958174022 687404773 /nfs/dbraw/zinc/40/47/73/687404773.db2.gz BKAJXUFPYVNSRG-HZPDHXFCSA-N 2 0 319.449 0.295 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958222676 687454129 /nfs/dbraw/zinc/45/41/29/687454129.db2.gz FWJSUQUHWBXWIY-GOEBONIOSA-N 2 0 312.373 0.380 20 30 DCEDRP C#CC[N@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](O)C1 ZINC000958481768 687695427 /nfs/dbraw/zinc/69/54/27/687695427.db2.gz RYDWRMHHOWNMMF-IAGOWNOFSA-N 2 0 315.417 0.404 20 30 DCEDRP C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000958729255 687881994 /nfs/dbraw/zinc/88/19/94/687881994.db2.gz TUKUTQDVDMGNMG-RDJZCZTQSA-N 2 0 315.417 0.404 20 30 DCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000961353757 688599383 /nfs/dbraw/zinc/59/93/83/688599383.db2.gz CFVOEFUGHJVZMH-LTIDMASMSA-N 2 0 301.434 0.931 20 30 DCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000962248399 688859852 /nfs/dbraw/zinc/85/98/52/688859852.db2.gz YLOVVOGAIKGUEU-FVQHAEBGSA-N 2 0 301.434 0.788 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCC=C)C[C@H]32)CC1 ZINC000962774011 688977552 /nfs/dbraw/zinc/97/75/52/688977552.db2.gz LRVBOSHXQJLVJG-FVQHAEBGSA-N 2 0 301.434 0.954 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](C[C@H](C)O)C2)CC1 ZINC001009624977 691076907 /nfs/dbraw/zinc/07/69/07/691076907.db2.gz CBBZCRMFLGBGBU-HOCLYGCPSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015324176 692264373 /nfs/dbraw/zinc/26/43/73/692264373.db2.gz MQDVYNYCWACMQN-DGNOSDGRSA-N 2 0 303.406 0.063 20 30 DCEDRP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC001072760648 694661128 /nfs/dbraw/zinc/66/11/28/694661128.db2.gz JHDMEPUDKOZFIB-JKSUJKDBSA-N 2 0 319.449 0.960 20 30 DCEDRP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001073605449 694750483 /nfs/dbraw/zinc/75/04/83/694750483.db2.gz KZNMNVAMQWAFOU-CVEARBPZSA-N 2 0 307.438 0.721 20 30 DCEDRP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073861971 694793515 /nfs/dbraw/zinc/79/35/15/694793515.db2.gz KTTPHUXYPVYBIN-OAHLLOKOSA-N 2 0 307.438 0.865 20 30 DCEDRP C=C(C)C[NH2+]CC1(O)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001570414473 1162508206 /nfs/dbraw/zinc/50/82/06/1162508206.db2.gz XZALDLHTRKFDNQ-INIZCTEOSA-N 2 0 321.465 0.847 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001571460861 1162769344 /nfs/dbraw/zinc/76/93/44/1162769344.db2.gz CQGARRYINAODCF-UONOGXRCSA-N 2 0 322.453 0.209 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001571542377 1162801747 /nfs/dbraw/zinc/80/17/47/1162801747.db2.gz NPABWOYYGBXAGY-HOTGVXAUSA-N 2 0 321.465 0.853 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001671297563 1157441978 /nfs/dbraw/zinc/44/19/78/1157441978.db2.gz CUSZRGYVVACMKX-QLFBSQMISA-N 2 0 322.453 0.209 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCO1 ZINC001755017700 1157907905 /nfs/dbraw/zinc/90/79/05/1157907905.db2.gz NTZIEKYLNILGDF-HZPDHXFCSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+](C)C)C1=O ZINC001267712172 1157931695 /nfs/dbraw/zinc/93/16/95/1157931695.db2.gz NDPDQSPFMDIXOF-KKUMJFAQSA-N 2 0 320.437 0.010 20 30 DCEDRP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC#CCOC ZINC001691496108 1157995297 /nfs/dbraw/zinc/99/52/97/1157995297.db2.gz KVYVLLXDYOFVOB-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001691669864 1158696205 /nfs/dbraw/zinc/69/62/05/1158696205.db2.gz BZKSOKUGZGAGEP-OAHLLOKOSA-N 2 0 307.438 0.653 20 30 DCEDRP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC#CCOC)C1)[NH+](C)C ZINC001566877910 1160174540 /nfs/dbraw/zinc/17/45/40/1160174540.db2.gz IPKRTQZYUDNJAO-HOTGVXAUSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001567215514 1160275166 /nfs/dbraw/zinc/27/51/66/1160275166.db2.gz ZSWNFUMCLMNUON-CVEARBPZSA-N 2 0 309.454 0.993 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]C[C@@H](C)OC)CC1 ZINC001567241060 1160281922 /nfs/dbraw/zinc/28/19/22/1160281922.db2.gz SNFAOGZKAYAZQN-HUUCEWRRSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CCN1CC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001567921913 1160535855 /nfs/dbraw/zinc/53/58/55/1160535855.db2.gz IVRREIBKQMUPIU-JKSUJKDBSA-N 2 0 307.438 0.511 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)C1=O ZINC001569013108 1160918667 /nfs/dbraw/zinc/91/86/67/1160918667.db2.gz BXRXKIPUXIAKKR-ILXRZTDVSA-N 2 0 322.453 0.352 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC#CCOC)C[C@H]1C ZINC001569526747 1161087414 /nfs/dbraw/zinc/08/74/14/1161087414.db2.gz LVBWGWRNCXVBMO-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001569749237 1161222891 /nfs/dbraw/zinc/22/28/91/1161222891.db2.gz RFLMGDRPOSGUDS-FUHWJXTLSA-N 2 0 321.465 0.847 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001569819579 1161264192 /nfs/dbraw/zinc/26/41/92/1161264192.db2.gz MTJBZXPGVKEFIV-ZIAGYGMSSA-N 2 0 310.442 0.067 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001569839008 1161283051 /nfs/dbraw/zinc/28/30/51/1161283051.db2.gz NAUASBBHQVRVMS-CVEARBPZSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001569854415 1161285553 /nfs/dbraw/zinc/28/55/53/1161285553.db2.gz BJWZONGJUHXKPS-JKSUJKDBSA-N 2 0 309.454 0.661 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001570142620 1161437376 /nfs/dbraw/zinc/43/73/76/1161437376.db2.gz QLPRNCZJVUBACJ-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP C[NH+](C)C[C@]1(O)CCCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC001578412419 1165004525 /nfs/dbraw/zinc/00/45/25/1165004525.db2.gz LTGQENIYTXOYGL-VVBDHPJYSA-N 2 0 320.437 0.041 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001629234490 1171544680 /nfs/dbraw/zinc/54/46/80/1171544680.db2.gz XEUPJYTZTQUXDU-UHFFFAOYSA-N 2 0 303.410 0.890 20 30 DCEDRP C=CCC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001656784854 1173884573 /nfs/dbraw/zinc/88/45/73/1173884573.db2.gz ZYQJDXJDCOUSDK-CVEARBPZSA-N 2 0 309.454 0.800 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001662872420 1174248989 /nfs/dbraw/zinc/24/89/89/1174248989.db2.gz MQDHGGYZBAGHRZ-HZPDHXFCSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001662919407 1174252346 /nfs/dbraw/zinc/25/23/46/1174252346.db2.gz UOAVZKKDUCBQBG-CABCVRRESA-N 2 0 322.453 0.093 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001665788990 1174563446 /nfs/dbraw/zinc/56/34/46/1174563446.db2.gz TYYZVWBLYLYWAC-CABCVRRESA-N 2 0 322.453 0.115 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@](C)(C[NH2+]CCOC)C2CC2)CC1 ZINC001666043501 1174582639 /nfs/dbraw/zinc/58/26/39/1174582639.db2.gz MGCYHGPGQDIPPL-SFHVURJKSA-N 2 0 321.465 0.853 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001669020475 1174876883 /nfs/dbraw/zinc/87/68/83/1174876883.db2.gz CGGKZWBSQDXEDS-GJBLVYBDSA-N 2 0 322.453 0.281 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001672538510 1175123491 /nfs/dbraw/zinc/12/34/91/1175123491.db2.gz RRVQSIBBOMAUPI-DLBZAZTESA-N 2 0 319.449 0.797 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001674001553 1175244756 /nfs/dbraw/zinc/24/47/56/1175244756.db2.gz HUJIHQPPHQHVNZ-UHFFFAOYSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001675708804 1175387100 /nfs/dbraw/zinc/38/71/00/1175387100.db2.gz ZVJNTIXGOYHRTH-CVEARBPZSA-N 2 0 319.449 0.559 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001685482728 1176034256 /nfs/dbraw/zinc/03/42/56/1176034256.db2.gz BLVAUCKNOLBWDS-OAHLLOKOSA-N 2 0 308.426 0.104 20 30 DCEDRP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CN(CC)CCO1 ZINC001688067643 1176348772 /nfs/dbraw/zinc/34/87/72/1176348772.db2.gz CEEJVUTZROTVEJ-OWCLPIDISA-N 2 0 307.438 0.958 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](C)OC)C2)CC1 ZINC001690300185 1177211341 /nfs/dbraw/zinc/21/13/41/1177211341.db2.gz SQZSXWDJOQNAGZ-FVQBIDKESA-N 2 0 307.438 0.603 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001699131742 1177882247 /nfs/dbraw/zinc/88/22/47/1177882247.db2.gz QSGMNKYJJLWGFJ-UONOGXRCSA-N 2 0 324.469 0.503 20 30 DCEDRP CC#CC[NH2+]C/C=C/CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001699323632 1178069256 /nfs/dbraw/zinc/06/92/56/1178069256.db2.gz ZSUCZSXIYUSMOT-VOTSOKGWSA-N 2 0 303.410 0.344 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]C[C@@H](C)O)C2CC2)CC1 ZINC001699603601 1178213121 /nfs/dbraw/zinc/21/31/21/1178213121.db2.gz RNSOAOIMRROWDO-CZUORRHYSA-N 2 0 307.438 0.197 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001699650748 1178239102 /nfs/dbraw/zinc/23/91/02/1178239102.db2.gz FCRMAPZQMHQRKE-MGPQQGTHSA-N 2 0 322.453 0.256 20 30 DCEDRP C#CC[N@@H+](CCOC)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001699690363 1178249761 /nfs/dbraw/zinc/24/97/61/1178249761.db2.gz WWLVCXPJTWJFNU-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001699906429 1178360574 /nfs/dbraw/zinc/36/05/74/1178360574.db2.gz KGXKDGITCSCZTC-NVXWUHKLSA-N 2 0 307.438 0.436 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001700232590 1178542919 /nfs/dbraw/zinc/54/29/19/1178542919.db2.gz IDSYYGIPECDGSO-UXLLHSPISA-N 2 0 307.438 0.293 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001700279320 1178565317 /nfs/dbraw/zinc/56/53/17/1178565317.db2.gz UYHUOZYYVXOACQ-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001700358582 1178595218 /nfs/dbraw/zinc/59/52/18/1178595218.db2.gz YFRQBXPYHLWXDH-LSDHHAIUSA-N 2 0 324.469 0.552 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001700831940 1178768839 /nfs/dbraw/zinc/76/88/39/1178768839.db2.gz ZUHYHCGEIWYZPH-SJORKVTESA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001700848369 1178776690 /nfs/dbraw/zinc/77/66/90/1178776690.db2.gz DSTNKLUGSGKOMX-KBPBESRZSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001713149692 1180698105 /nfs/dbraw/zinc/69/81/05/1180698105.db2.gz BTQYMFRNMUFMQK-SOUVJXGZSA-N 2 0 324.469 0.454 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001713311456 1180761793 /nfs/dbraw/zinc/76/17/93/1180761793.db2.gz QRLYSKZECBVSHS-OAHLLOKOSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001714001673 1181195831 /nfs/dbraw/zinc/19/58/31/1181195831.db2.gz ALEVTXNCLHIXCT-XQLPTFJDSA-N 2 0 322.453 0.398 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001714093206 1181240095 /nfs/dbraw/zinc/24/00/95/1181240095.db2.gz CMHLFNSGBLXORH-HUUCEWRRSA-N 2 0 322.453 0.069 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)c2ccn(CC[NH+](C)C)n2)CCCC1 ZINC001714493411 1181391694 /nfs/dbraw/zinc/39/16/94/1181391694.db2.gz RWCHAFJVSLUQCU-UHFFFAOYSA-N 2 0 317.437 0.710 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001714634332 1181453425 /nfs/dbraw/zinc/45/34/25/1181453425.db2.gz LYSAVRDRELSWHQ-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001715008946 1181644123 /nfs/dbraw/zinc/64/41/23/1181644123.db2.gz GDYGXXOWRKZAMV-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CC=C(C)C)CC1 ZINC001715614423 1181900077 /nfs/dbraw/zinc/90/00/77/1181900077.db2.gz JMTOPDGOFNKGJJ-INIZCTEOSA-N 2 0 307.438 0.365 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001716008334 1182144085 /nfs/dbraw/zinc/14/40/85/1182144085.db2.gz FVCAAMXBQOWPQU-UONOGXRCSA-N 2 0 310.442 0.257 20 30 DCEDRP C=CCN1CC[C@H]([N@@H+](C)C[C@H](C)NC(=O)C[NH+]2CCCC2)C1=O ZINC001716506276 1182419797 /nfs/dbraw/zinc/41/97/97/1182419797.db2.gz YWVKLTUBCCMDGB-GJZGRUSLSA-N 2 0 322.453 0.306 20 30 DCEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001716930708 1182586856 /nfs/dbraw/zinc/58/68/56/1182586856.db2.gz UZMVWGJHQKUIAR-CRAIPNDOSA-N 2 0 321.465 0.990 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001717197641 1182726881 /nfs/dbraw/zinc/72/68/81/1182726881.db2.gz BQVSEGLJJKOSPC-HNNXBMFYSA-N 2 0 324.469 0.601 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCOCC1 ZINC001717262254 1182755887 /nfs/dbraw/zinc/75/58/87/1182755887.db2.gz BITREAWCGOAITM-LSDHHAIUSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001717324117 1182782171 /nfs/dbraw/zinc/78/21/71/1182782171.db2.gz ZPUOJUKTULEKGV-HOTGVXAUSA-N 2 0 319.449 0.580 20 30 DCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001717325260 1182782281 /nfs/dbraw/zinc/78/22/81/1182782281.db2.gz UXDAHWWESFKGGV-GASCZTMLSA-N 2 0 309.454 0.988 20 30 DCEDRP C=CC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001717350685 1182795604 /nfs/dbraw/zinc/79/56/04/1182795604.db2.gz NJGBCPHNUAEZLE-LSDHHAIUSA-N 2 0 309.454 0.846 20 30 DCEDRP C=CCC[NH+]1CCC(CO)(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001717352486 1182796803 /nfs/dbraw/zinc/79/68/03/1182796803.db2.gz DNRDPOILUZNZQG-UHFFFAOYSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+][C@H](CC)C(N)=O)CC1 ZINC001717758653 1182980424 /nfs/dbraw/zinc/98/04/24/1182980424.db2.gz ZEUSLGRLOTULLZ-UKRRQHHQSA-N 2 0 322.453 0.032 20 30 DCEDRP COCC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001717821046 1183016434 /nfs/dbraw/zinc/01/64/34/1183016434.db2.gz ABRDJXPKNWZLPD-GOEBONIOSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001717924300 1183064125 /nfs/dbraw/zinc/06/41/25/1183064125.db2.gz GWXFSCODHRDSMN-CVEARBPZSA-N 2 0 309.454 0.541 20 30 DCEDRP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001717939739 1183078309 /nfs/dbraw/zinc/07/83/09/1183078309.db2.gz NGPLCZKXSXETFQ-MRXNPFEDSA-N 2 0 321.465 0.637 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)CCO1 ZINC001724816382 1184571842 /nfs/dbraw/zinc/57/18/42/1184571842.db2.gz JROCATMGEZTHTJ-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001724842841 1184587674 /nfs/dbraw/zinc/58/76/74/1184587674.db2.gz JITIJFRUQJGKEA-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724907612 1184614075 /nfs/dbraw/zinc/61/40/75/1184614075.db2.gz JPFJRNVEVDPWOB-QGZVFWFLSA-N 2 0 307.438 0.437 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001725004912 1184653659 /nfs/dbraw/zinc/65/36/59/1184653659.db2.gz ZTNBBFCVFXCSKJ-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001725179847 1184711335 /nfs/dbraw/zinc/71/13/35/1184711335.db2.gz STYGVOXCVBNXNI-JYJNAYRXSA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001725329178 1184771654 /nfs/dbraw/zinc/77/16/54/1184771654.db2.gz PGDOQMJSSAIEDR-LSDHHAIUSA-N 2 0 307.438 0.864 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001725357525 1184784332 /nfs/dbraw/zinc/78/43/32/1184784332.db2.gz SOTXBIZWBVALRV-KBUPBQIOSA-N 2 0 322.453 0.113 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]C[C@H](C)OC)C2)CC1 ZINC001725368014 1184787974 /nfs/dbraw/zinc/78/79/74/1184787974.db2.gz DCSDJAXXIKHIPQ-ZOBUZTSGSA-N 2 0 321.465 0.851 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001725490438 1184843007 /nfs/dbraw/zinc/84/30/07/1184843007.db2.gz OBMPZJUOVFTIGQ-ZBFHGGJFSA-N 2 0 307.438 0.415 20 30 DCEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001725704777 1184955042 /nfs/dbraw/zinc/95/50/42/1184955042.db2.gz KKFIQRHVJCDQPV-HIFRSBDPSA-N 2 0 306.410 0.349 20 30 DCEDRP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001725720017 1184969164 /nfs/dbraw/zinc/96/91/64/1184969164.db2.gz TXFWBBZGIKHOMV-INIZCTEOSA-N 2 0 323.481 0.883 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(C)C)CC1 ZINC001725726052 1184977010 /nfs/dbraw/zinc/97/70/10/1184977010.db2.gz YRJHMBFAZBGIDR-QGZVFWFLSA-N 2 0 323.481 0.739 20 30 DCEDRP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001725726418 1184977125 /nfs/dbraw/zinc/97/71/25/1184977125.db2.gz ZXCNAQQJFFWXAP-IAGOWNOFSA-N 2 0 323.481 0.881 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001731390577 1185313293 /nfs/dbraw/zinc/31/32/93/1185313293.db2.gz ADCVOVJNZKVQKD-SJORKVTESA-N 2 0 319.449 0.462 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001731404960 1185319850 /nfs/dbraw/zinc/31/98/50/1185319850.db2.gz HYFONDUPLLYPLM-MRXNPFEDSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001731760412 1185472960 /nfs/dbraw/zinc/47/29/60/1185472960.db2.gz DFRHHHLYFACXRT-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)C[C@H](CC)OC)CC1 ZINC001731796120 1185491717 /nfs/dbraw/zinc/49/17/17/1185491717.db2.gz RSNXWBYDMWUQJU-INIZCTEOSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001732060215 1185652743 /nfs/dbraw/zinc/65/27/43/1185652743.db2.gz VUNDILPLZZAKFM-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)CN1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001732186466 1185727284 /nfs/dbraw/zinc/72/72/84/1185727284.db2.gz MIRKESKCJHXCSG-AWEZNQCLSA-N 2 0 310.442 0.163 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001732561357 1185851989 /nfs/dbraw/zinc/85/19/89/1185851989.db2.gz WBZHKGIVTSLYOD-MRXNPFEDSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001732618013 1185875564 /nfs/dbraw/zinc/87/55/64/1185875564.db2.gz KZXGCHIYOUACLI-HZPDHXFCSA-N 2 0 321.465 0.853 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001733533224 1186324240 /nfs/dbraw/zinc/32/42/40/1186324240.db2.gz IQNLHTWYTJWTHP-CVEARBPZSA-N 2 0 319.449 0.559 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CCO1 ZINC001733743458 1186427586 /nfs/dbraw/zinc/42/75/86/1186427586.db2.gz NQMHQIWUUGLCEF-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[N@H+](C)CCOCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001734276943 1186601225 /nfs/dbraw/zinc/60/12/25/1186601225.db2.gz BBQATNBUZOFSHD-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCC[C@@H](C)O)C2)CC1 ZINC001752686927 1188433853 /nfs/dbraw/zinc/43/38/53/1188433853.db2.gz FGXLCESALFIWBN-DJIMGWMZSA-N 2 0 321.465 0.729 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001753138458 1188512973 /nfs/dbraw/zinc/51/29/73/1188512973.db2.gz VBWOCOAVVBOKBW-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001753345619 1188570051 /nfs/dbraw/zinc/57/00/51/1188570051.db2.gz MQYKCEHDBSTVKR-CVEARBPZSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CC[NH+]1CCC(CCNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001753599910 1188622647 /nfs/dbraw/zinc/62/26/47/1188622647.db2.gz VTDVHGNYWODFFH-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001754279611 1188807149 /nfs/dbraw/zinc/80/71/49/1188807149.db2.gz BEJHVTLBLHFTHP-IHRRRGAJSA-N 2 0 310.442 0.113 20 30 DCEDRP C=CC[NH2+]C1CCN(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001754848931 1188947917 /nfs/dbraw/zinc/94/79/17/1188947917.db2.gz YJCTZQFBPYSOGO-KRWDZBQOSA-N 2 0 320.481 0.684 20 30 DCEDRP C#CC[NH2+]CCCOC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001755347795 1189089705 /nfs/dbraw/zinc/08/97/05/1189089705.db2.gz MYXIWBGVRKOJBD-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N[C@H](C)C1CN(CC#CCOC)C1 ZINC001755390682 1189100613 /nfs/dbraw/zinc/10/06/13/1189100613.db2.gz XIUYGOVLQARHIN-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCNC(=O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001755528785 1189136981 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DCEDRP C#CCC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001098562630 747362302 /nfs/dbraw/zinc/36/23/02/747362302.db2.gz ZTUUIMHLTVSYQC-UHFFFAOYSA-N 2 0 307.438 0.391 20 30 DCEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001098570913 747435484 /nfs/dbraw/zinc/43/54/84/747435484.db2.gz JTIOVNGHQQGHPM-UHFFFAOYSA-N 2 0 321.465 0.781 20 30 DCEDRP C[NH+]1CCC(C[NH+]2CCN(c3nccnc3C#N)CC2)CC1 ZINC001207399015 747589841 /nfs/dbraw/zinc/58/98/41/747589841.db2.gz VUUNBAOMBPCAHD-UHFFFAOYSA-N 2 0 300.410 0.812 20 30 DCEDRP CC#CC[NH2+]C1CC(CNC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001100686788 747621035 /nfs/dbraw/zinc/62/10/35/747621035.db2.gz RXVOJCLDHPTBJE-KLAILNCOSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001077281159 750313379 /nfs/dbraw/zinc/31/33/79/750313379.db2.gz YBMYNWNVASRFCM-BZUAXINKSA-N 2 0 309.454 0.844 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCO)C[C@H]2C)CC1 ZINC001044872024 752909767 /nfs/dbraw/zinc/90/97/67/752909767.db2.gz MUPYIMBYFWSIHJ-GDBMZVCRSA-N 2 0 307.438 0.293 20 30 DCEDRP C=CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001046011016 753415432 /nfs/dbraw/zinc/41/54/32/753415432.db2.gz YPIOUWUXXPKUGO-JKSUJKDBSA-N 2 0 306.454 0.485 20 30 DCEDRP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC001046064346 753458821 /nfs/dbraw/zinc/45/88/21/753458821.db2.gz LKNCGBWXKQQODZ-DLBZAZTESA-N 2 0 320.481 0.733 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](C[C@@H](C)O)C2)CC1 ZINC001046850517 753980640 /nfs/dbraw/zinc/98/06/40/753980640.db2.gz VLNMXLUASQARKF-PBHICJAKSA-N 2 0 307.438 0.293 20 30 DCEDRP CCc1nc(C#N)c(C#N)nc1NCCC[NH2+]CCCC[NH3+] ZINC001162294359 754187509 /nfs/dbraw/zinc/18/75/09/754187509.db2.gz HCEJDLMUOYOYQI-UHFFFAOYSA-N 2 0 301.398 0.913 20 30 DCEDRP C#CCN1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001090257706 754468868 /nfs/dbraw/zinc/46/88/68/754468868.db2.gz AYCLTLPMCOXNDC-CABCVRRESA-N 2 0 307.438 0.436 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001090260641 754821748 /nfs/dbraw/zinc/82/17/48/754821748.db2.gz IVHWHFOYJLBUJY-HOTGVXAUSA-N 2 0 321.465 0.826 20 30 DCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048824319 754962358 /nfs/dbraw/zinc/96/23/58/754962358.db2.gz YUOQATZTKHLGKH-BBWFWOEESA-N 2 0 301.434 0.742 20 30 DCEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080160843 756117426 /nfs/dbraw/zinc/11/74/26/756117426.db2.gz AEYMUPJIXCKKCA-MYPHYYIGSA-N 2 0 319.449 0.862 20 30 DCEDRP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001081699368 756779375 /nfs/dbraw/zinc/77/93/75/756779375.db2.gz SEDVEOSGYVJWIE-ZJIFWQFVSA-N 2 0 307.438 0.555 20 30 DCEDRP C=CCCC(=O)NCC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001055539534 756818031 /nfs/dbraw/zinc/81/80/31/756818031.db2.gz ZRQPZBCNVXURQO-UHFFFAOYSA-N 2 0 324.469 0.601 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](OC)C1 ZINC001081843459 756839595 /nfs/dbraw/zinc/83/95/95/756839595.db2.gz YEOOEWUQOSPIOA-HZPDHXFCSA-N 2 0 319.449 0.701 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](C)CC)C[C@@H]2O)CC1 ZINC001084088021 757668321 /nfs/dbraw/zinc/66/83/21/757668321.db2.gz MIATVDUVFXRBRN-OIISXLGYSA-N 2 0 321.465 0.539 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)CC[N@@H+](C)CC)C1=O ZINC001170223850 762579322 /nfs/dbraw/zinc/57/93/22/762579322.db2.gz WLXVJXUNUPGZHF-CQSZACIVSA-N 2 0 310.442 0.211 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084834316 758072357 /nfs/dbraw/zinc/07/23/57/758072357.db2.gz VGCTYEQUNXQNMU-GVDBMIGSSA-N 2 0 319.449 0.511 20 30 DCEDRP C=C(C)C[NH+]1CCN([C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001052118579 759190314 /nfs/dbraw/zinc/19/03/14/759190314.db2.gz RWEFMGLDHOFIDB-KRWDZBQOSA-N 2 0 320.481 0.877 20 30 DCEDRP C[NH+](C)CCOCC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001147841809 767858224 /nfs/dbraw/zinc/85/82/24/767858224.db2.gz IQMIQGFMIGETKZ-UHFFFAOYSA-N 2 0 304.394 0.342 20 30 DCEDRP N#Cc1ccc(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)s1 ZINC001147970175 767889646 /nfs/dbraw/zinc/88/96/46/767889646.db2.gz BFGAQZHGGYJMQR-UHFFFAOYSA-N 2 0 304.419 0.921 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155790286 760171735 /nfs/dbraw/zinc/17/17/35/760171735.db2.gz JCIFYSYUGLJWLB-OAHLLOKOSA-N 2 0 324.469 0.601 20 30 DCEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100124598 760440817 /nfs/dbraw/zinc/44/08/17/760440817.db2.gz KQXOWQOQQUHWRS-HZPDHXFCSA-N 2 0 309.454 0.990 20 30 DCEDRP CCc1nnc(-n2cncc2C[C@@H]([NH3+])CO)c(C#N)c1CC ZINC001169072611 760572374 /nfs/dbraw/zinc/57/23/74/760572374.db2.gz QAUCMZORPQBDCG-SNVBAGLBSA-N 2 0 300.366 0.521 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169808048 760867855 /nfs/dbraw/zinc/86/78/55/760867855.db2.gz AXULEXNOZMCOBC-CABCVRRESA-N 2 0 322.453 0.095 20 30 DCEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327156 761170048 /nfs/dbraw/zinc/17/00/48/761170048.db2.gz VGEGGAPQWRYMFF-KFWWJZLASA-N 2 0 318.425 0.147 20 30 DCEDRP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2 ZINC001112563587 761694874 /nfs/dbraw/zinc/69/48/74/761694874.db2.gz CQXIYSJNLODTJL-WMZOPIPTSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129421664 762934092 /nfs/dbraw/zinc/93/40/92/762934092.db2.gz BKWWVCHIGAABIM-LSDHHAIUSA-N 2 0 324.469 0.646 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC001129770387 763007469 /nfs/dbraw/zinc/00/74/69/763007469.db2.gz FHEVIBCKAKNCJS-RYUDHWBXSA-N 2 0 321.343 0.103 20 30 DCEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129982318 763071935 /nfs/dbraw/zinc/07/19/35/763071935.db2.gz DJGKGRINALRCSJ-CABCVRRESA-N 2 0 320.441 0.538 20 30 DCEDRP C=C(Cl)CN1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](O)C1 ZINC001099879614 763095601 /nfs/dbraw/zinc/09/56/01/763095601.db2.gz MYOVBRGDEHJNBM-UONOGXRCSA-N 2 0 315.845 0.775 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130297086 763214755 /nfs/dbraw/zinc/21/47/55/763214755.db2.gz HRPPNVOSRJBQKC-HNNXBMFYSA-N 2 0 324.469 0.601 20 30 DCEDRP C=CCCC[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074271 763283654 /nfs/dbraw/zinc/28/36/54/763283654.db2.gz KUCMSFXJBIXGFW-CABCVRRESA-N 2 0 313.442 0.082 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[NH+](C)C)C1 ZINC001130415123 763292353 /nfs/dbraw/zinc/29/23/53/763292353.db2.gz CAIUQHTUKMHUNU-CQSZACIVSA-N 2 0 317.437 0.790 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130654573 763416291 /nfs/dbraw/zinc/41/62/91/763416291.db2.gz NAGHCCHDRTUARU-GOEBONIOSA-N 2 0 317.437 0.279 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130736942 763467773 /nfs/dbraw/zinc/46/77/73/763467773.db2.gz QQELDWIDFWFIOR-GOEBONIOSA-N 2 0 317.437 0.278 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790774 764014372 /nfs/dbraw/zinc/01/43/72/764014372.db2.gz VKICSDKHSXJSJM-ZFWWWQNUSA-N 2 0 322.453 0.257 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815762 764345437 /nfs/dbraw/zinc/34/54/37/764345437.db2.gz RLVUEKQGJAZCEH-OAGGEKHMSA-N 2 0 307.438 0.415 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102288709 764577584 /nfs/dbraw/zinc/57/75/84/764577584.db2.gz RFDAWDSRVWPQOV-HZPDHXFCSA-N 2 0 321.465 0.662 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C ZINC001133091961 764823228 /nfs/dbraw/zinc/82/32/28/764823228.db2.gz WVFNXPYUNLSBLG-HUUCEWRRSA-N 2 0 324.469 0.315 20 30 DCEDRP COCC#CC[NH2+]CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001133894163 765213312 /nfs/dbraw/zinc/21/33/12/765213312.db2.gz VNBNAFOPAJCZET-UHFFFAOYSA-N 2 0 317.433 0.760 20 30 DCEDRP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC#CCOC)C2)[NH+](C)C ZINC001111789060 765389147 /nfs/dbraw/zinc/38/91/47/765389147.db2.gz VOTCMEZZOYRVOB-JZXOWHBKSA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001134391862 765510474 /nfs/dbraw/zinc/51/04/74/765510474.db2.gz IYANQLAZMBOCRN-HUUCEWRRSA-N 2 0 319.453 0.955 20 30 DCEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001115245478 765660563 /nfs/dbraw/zinc/66/05/63/765660563.db2.gz RQDULRYFKUHQLP-WCVJEAGWSA-N 2 0 307.438 0.577 20 30 DCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1)C(C)C ZINC001121909665 767663969 /nfs/dbraw/zinc/66/39/69/767663969.db2.gz YFFJIRGNWLWIBE-UXLLHSPISA-N 2 0 309.454 0.914 20 30 DCEDRP C#CCC[NH+]1CCCO[C@H](CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001149937239 768910281 /nfs/dbraw/zinc/91/02/81/768910281.db2.gz RTSITPAIAWJTDQ-OAHLLOKOSA-N 2 0 309.454 0.947 20 30 DCEDRP COc1ccc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)cc1C#N ZINC001151096474 769259967 /nfs/dbraw/zinc/25/99/67/769259967.db2.gz BJXFICHZAOXZAG-UHFFFAOYSA-N 2 0 316.405 0.868 20 30 DCEDRP C#CC[NH+]1CCC(CCOC)(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001151392961 769329679 /nfs/dbraw/zinc/32/96/79/769329679.db2.gz VEHGTRYIDKPUJB-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC2CC(OCC)C2)CC1 ZINC001152324361 769526984 /nfs/dbraw/zinc/52/69/84/769526984.db2.gz SHKRLGCDKDZHDI-UHFFFAOYSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H](C)c2cnccn2)CC1 ZINC001152324151 769527019 /nfs/dbraw/zinc/52/70/19/769527019.db2.gz NNEJQNMSXXGTIK-CQSZACIVSA-N 2 0 315.421 0.589 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC[C@@H]2CCCCO2)CC1 ZINC001152323700 769527340 /nfs/dbraw/zinc/52/73/40/769527340.db2.gz BPGDWCWEZMLDGF-KRWDZBQOSA-N 2 0 321.465 0.997 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2ccns2)CC1 ZINC001152330018 769528982 /nfs/dbraw/zinc/52/89/82/769528982.db2.gz HSGLLSODQOIWOJ-UHFFFAOYSA-N 2 0 306.435 0.694 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152348544 769532595 /nfs/dbraw/zinc/53/25/95/769532595.db2.gz PTSABEGERIGOTO-CQSZACIVSA-N 2 0 310.442 0.259 20 30 DCEDRP N#Cc1ccc(C(=O)N2CCC([NH2+]C[C@@H](O)C[NH3+])CC2)cc1 ZINC001173422794 769625218 /nfs/dbraw/zinc/62/52/18/769625218.db2.gz VZRILGUGBYXTGN-HNNXBMFYSA-N 2 0 302.378 0.072 20 30 DCEDRP N#Cc1c(Cl)cccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869573 769953542 /nfs/dbraw/zinc/95/35/42/769953542.db2.gz CLSXFZUAVXDHIR-UHFFFAOYSA-N 2 0 321.856 0.796 20 30 DCEDRP N#Cc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)ccc1Cl ZINC001235872879 769957729 /nfs/dbraw/zinc/95/77/29/769957729.db2.gz AGEQJEDGYTUAHG-UHFFFAOYSA-N 2 0 321.856 0.796 20 30 DCEDRP N#Cc1cc(F)ccc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310596 769993620 /nfs/dbraw/zinc/99/36/20/769993620.db2.gz IKASJGWNMHCOGM-UHFFFAOYSA-N 2 0 321.400 0.313 20 30 DCEDRP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176184857 770044563 /nfs/dbraw/zinc/04/45/63/770044563.db2.gz ORNKDKTYQAMYMN-MRXNPFEDSA-N 2 0 321.465 0.997 20 30 DCEDRP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374783 770799990 /nfs/dbraw/zinc/79/99/90/770799990.db2.gz XIILKSHDHDTWJV-CVEARBPZSA-N 2 0 309.454 0.805 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC#CCOC)[C@@H]2C)CC[N@@H+]1C ZINC001178736115 770849975 /nfs/dbraw/zinc/84/99/75/770849975.db2.gz OXAKFDOUSMJGIS-LUKYLMHMSA-N 2 0 321.465 0.946 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182473038 771497546 /nfs/dbraw/zinc/49/75/46/771497546.db2.gz NLCGILVAVZIKGB-HZPDHXFCSA-N 2 0 307.438 0.700 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001159837160 771967154 /nfs/dbraw/zinc/96/71/54/771967154.db2.gz BBCDZMXBTXCTOA-INIZCTEOSA-N 2 0 309.454 0.710 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001159846681 771967658 /nfs/dbraw/zinc/96/76/58/771967658.db2.gz QBENEQZGEUPXPO-OAHLLOKOSA-N 2 0 324.469 0.362 20 30 DCEDRP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159868543 771971150 /nfs/dbraw/zinc/97/11/50/771971150.db2.gz GERDUCZCYBJHER-INIZCTEOSA-N 2 0 307.438 0.749 20 30 DCEDRP C#CC[N@H+]1CC=C(CCNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001161597621 772253092 /nfs/dbraw/zinc/25/30/92/772253092.db2.gz DDAXAGIXMPBPCB-UHFFFAOYSA-N 2 0 319.449 0.869 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC#CCOC)C1 ZINC001188140071 772270871 /nfs/dbraw/zinc/27/08/71/772270871.db2.gz XMVMOWHOFZZLAR-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)C2CC[NH+](C)CC2)(COC)CC1 ZINC001162449413 772374882 /nfs/dbraw/zinc/37/48/82/772374882.db2.gz AHXPJNHVLYUVDP-UHFFFAOYSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162871978 772427160 /nfs/dbraw/zinc/42/71/60/772427160.db2.gz CHXYEXFWSYDBRM-CKDBGZEDSA-N 2 0 323.437 0.148 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC#CCOC)C12CCC2 ZINC001203576992 772914594 /nfs/dbraw/zinc/91/45/94/772914594.db2.gz MJPCRXROJXLUQZ-CVEARBPZSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001205719488 773012938 /nfs/dbraw/zinc/01/29/38/773012938.db2.gz POKXPLYUEOLRJV-UPTPFMHGSA-N 2 0 317.433 0.311 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193281001 773037410 /nfs/dbraw/zinc/03/74/10/773037410.db2.gz ZCGHLXVHMBOJHM-HUUCEWRRSA-N 2 0 324.469 0.552 20 30 DCEDRP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001193455979 773071769 /nfs/dbraw/zinc/07/17/69/773071769.db2.gz JPIQJKVZFAYQLH-RRFJBIMHSA-N 2 0 315.433 0.794 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194041310 773143845 /nfs/dbraw/zinc/14/38/45/773143845.db2.gz XDHVCFBXEDLOKB-CABCVRRESA-N 2 0 322.453 0.306 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CC#CC)C2)CC1 ZINC001194245968 773167253 /nfs/dbraw/zinc/16/72/53/773167253.db2.gz HUBBYRKNSUTZAJ-KRWDZBQOSA-N 2 0 301.434 0.888 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001208410917 773455940 /nfs/dbraw/zinc/45/59/40/773455940.db2.gz HVZHOAPRGHAMEA-ZIAGYGMSSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001208738599 773523046 /nfs/dbraw/zinc/52/30/46/773523046.db2.gz GWJKKSWWCZOMAB-BRWVUGGUSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209447415 773606464 /nfs/dbraw/zinc/60/64/64/773606464.db2.gz ZZEFMQKHXVAPAO-ZIAGYGMSSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001196500768 773610923 /nfs/dbraw/zinc/61/09/23/773610923.db2.gz UVUUDNJZMIJEAC-RRFJBIMHSA-N 2 0 306.410 0.962 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210482007 773711104 /nfs/dbraw/zinc/71/11/04/773711104.db2.gz JAKYZBWECQVARP-CQSZACIVSA-N 2 0 310.442 0.211 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210811464 773741489 /nfs/dbraw/zinc/74/14/89/773741489.db2.gz OJUJAHZLEZRSAL-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210811466 773741817 /nfs/dbraw/zinc/74/18/17/773741817.db2.gz OJUJAHZLEZRSAL-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCC)C[C@H]2C)CC1 ZINC001211343997 773793297 /nfs/dbraw/zinc/79/32/97/773793297.db2.gz WTPGWZKTBFHTOL-NVXWUHKLSA-N 2 0 321.465 0.805 20 30 DCEDRP CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001199119301 774042892 /nfs/dbraw/zinc/04/28/92/774042892.db2.gz AQYKQAFEWLZQIV-BRWVUGGUSA-N 2 0 315.417 0.474 20 30 DCEDRP N#Cc1c(NC(=O)C2(O)CC[NH2+]CC2)sc2c1CC[NH2+]C2 ZINC001218552603 774245801 /nfs/dbraw/zinc/24/58/01/774245801.db2.gz IQKKUOBWFRJBPI-UHFFFAOYSA-N 2 0 306.391 0.318 20 30 DCEDRP N#Cc1cc(N)c(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cc1C#N ZINC001218987250 774340736 /nfs/dbraw/zinc/34/07/36/774340736.db2.gz KRDUTCULKKTDAL-AWEZNQCLSA-N 2 0 324.388 0.825 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCO1 ZINC001200553864 774361984 /nfs/dbraw/zinc/36/19/84/774361984.db2.gz BHAMQEVINJOPRB-HRCADAONSA-N 2 0 307.438 0.557 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CCCO1 ZINC001201403382 774501699 /nfs/dbraw/zinc/50/16/99/774501699.db2.gz KFKMQNQEVFCNMQ-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP N#CCc1cc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)ccc1F ZINC001219518527 774519835 /nfs/dbraw/zinc/51/98/35/774519835.db2.gz OQCZWRHKVORLHN-OAHLLOKOSA-N 2 0 319.384 0.581 20 30 DCEDRP N#C[C@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)c1ccccc1 ZINC001219557474 774536348 /nfs/dbraw/zinc/53/63/48/774536348.db2.gz ANTDJWZOBZWAIU-GJZGRUSLSA-N 2 0 301.394 0.118 20 30 DCEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201862446 774559738 /nfs/dbraw/zinc/55/97/38/774559738.db2.gz BCKLMOMFOZAOAD-OAHLLOKOSA-N 2 0 313.442 0.348 20 30 DCEDRP C[NH2+]CCCCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1C#N ZINC001220077307 774688421 /nfs/dbraw/zinc/68/84/21/774688421.db2.gz FCGRIYBNZWCRBA-CVEARBPZSA-N 2 0 300.406 0.977 20 30 DCEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001220868344 774940160 /nfs/dbraw/zinc/94/01/60/774940160.db2.gz GTSGMLXRWBXUFB-KBPBESRZSA-N 2 0 308.426 0.093 20 30 DCEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](CC(C)C)NC(=O)C[NH3+] ZINC001220868107 774940286 /nfs/dbraw/zinc/94/02/86/774940286.db2.gz BILZUMKTMLFMQZ-KBPBESRZSA-N 2 0 310.442 0.243 20 30 DCEDRP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221365608 775077950 /nfs/dbraw/zinc/07/79/50/775077950.db2.gz GDZFXJIEXUXRPU-QKPAOTATSA-N 2 0 316.380 0.677 20 30 DCEDRP N#Cc1ccn2ncc(C[N@@H+]3CCNC4(CC[NH2+]CC4)C3)c2c1 ZINC001222109226 775273979 /nfs/dbraw/zinc/27/39/79/775273979.db2.gz BWFUMKLPIOVHGN-UHFFFAOYSA-N 2 0 310.405 0.733 20 30 DCEDRP COCC#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001223250006 775477204 /nfs/dbraw/zinc/47/72/04/775477204.db2.gz UDNUAGXFWJCOBC-NVXWUHKLSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH+]1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001224326600 775559546 /nfs/dbraw/zinc/55/95/46/775559546.db2.gz ROAMAIABBJMXCS-UHFFFAOYSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC(CNC(=O)C[NH+](CC)CC)CC1 ZINC001224904540 775619435 /nfs/dbraw/zinc/61/94/35/775619435.db2.gz QBPDJTHVBUXWJP-UHFFFAOYSA-N 2 0 324.469 0.459 20 30 DCEDRP C=CCOCC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001225426591 775675620 /nfs/dbraw/zinc/67/56/20/775675620.db2.gz DBPOHCHREZFFJP-MRXNPFEDSA-N 2 0 309.454 0.969 20 30 DCEDRP COCC#CC[NH+]1CCC(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001225578517 775696458 /nfs/dbraw/zinc/69/64/58/775696458.db2.gz VJZKVEYWIUYWBV-UHFFFAOYSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001114832889 776204504 /nfs/dbraw/zinc/20/45/04/776204504.db2.gz ZTSPZDVXSULAOD-LJIGWXMPSA-N 2 0 307.438 0.720 20 30 DCEDRP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041288702 777181362 /nfs/dbraw/zinc/18/13/62/777181362.db2.gz ZPHUWAHGBJPLFM-WMZOPIPTSA-N 2 0 301.434 0.886 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001281890536 945151291 /nfs/dbraw/zinc/15/12/91/945151291.db2.gz QULDNFMCNBQIME-HNNXBMFYSA-N 2 0 322.453 0.048 20 30 DCEDRP C=CCOCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001317811584 945194095 /nfs/dbraw/zinc/19/40/95/945194095.db2.gz OVGSLNUZBQJFJQ-HOTGVXAUSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CCN1C[C@@]2(CC1=O)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001273030127 945208908 /nfs/dbraw/zinc/20/89/08/945208908.db2.gz LPLJOAKLMPRVMQ-KRWDZBQOSA-N 2 0 307.438 0.723 20 30 DCEDRP C#CCC[NH2+][C@H](C)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001282929883 939170695 /nfs/dbraw/zinc/17/06/95/939170695.db2.gz URBIDQYBFKKSOY-HUUCEWRRSA-N 2 0 305.422 0.311 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001266882248 939265555 /nfs/dbraw/zinc/26/55/55/939265555.db2.gz FTLAXWYPICWTBR-HUUCEWRRSA-N 2 0 322.453 0.354 20 30 DCEDRP C=C(Br)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267071123 939331450 /nfs/dbraw/zinc/33/14/50/939331450.db2.gz DQPFVCUSUUCRQO-NSHDSACASA-N 2 0 304.232 0.895 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001267148536 939358886 /nfs/dbraw/zinc/35/88/86/939358886.db2.gz LDNKHYHZSBZZCF-ZIAGYGMSSA-N 2 0 306.410 0.723 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+][C@@H](C)COC)CC1 ZINC001267154681 939361622 /nfs/dbraw/zinc/36/16/22/939361622.db2.gz IDZSGCZYHJAUSG-CABCVRRESA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001267216706 939391122 /nfs/dbraw/zinc/39/11/22/939391122.db2.gz QGVIEUKLYNHNCY-WBVHZDCISA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+]CCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001481249808 939671984 /nfs/dbraw/zinc/67/19/84/939671984.db2.gz HWWLBXDFCIVDFP-UHFFFAOYSA-N 2 0 314.389 0.954 20 30 DCEDRP C=CCNC(=O)CN1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001481641411 939991073 /nfs/dbraw/zinc/99/10/73/939991073.db2.gz OOVSZNQMWKMREC-ZFWWWQNUSA-N 2 0 322.453 0.067 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001268269756 940013103 /nfs/dbraw/zinc/01/31/03/940013103.db2.gz VQJJSASEMHXEBA-LSDHHAIUSA-N 2 0 322.453 0.163 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001269493553 940719039 /nfs/dbraw/zinc/71/90/39/940719039.db2.gz YAQNZYQRKUYABC-UONOGXRCSA-N 2 0 322.453 0.257 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+][C@@H](CC)C(N)=O)CC1 ZINC001269514697 940722709 /nfs/dbraw/zinc/72/27/09/940722709.db2.gz AJFGMVAOLHTNRZ-CABCVRRESA-N 2 0 322.453 0.080 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001270193153 940852514 /nfs/dbraw/zinc/85/25/14/940852514.db2.gz HDYNKAYSQBTNSW-CABCVRRESA-N 2 0 324.469 0.598 20 30 DCEDRP C=C(C)CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001271174727 941314556 /nfs/dbraw/zinc/31/45/56/941314556.db2.gz KSOCTSPGZUIKTC-DOTOQJQBSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001271752564 941443512 /nfs/dbraw/zinc/44/35/12/941443512.db2.gz RWZWQRCHCSWYPG-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC2(CCN2CC[NH+](C)C)C1 ZINC001271954275 941491393 /nfs/dbraw/zinc/49/13/93/941491393.db2.gz UKWAYMSVXPQDIA-UHFFFAOYSA-N 2 0 306.454 0.487 20 30 DCEDRP C=C(C)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001271957921 941491573 /nfs/dbraw/zinc/49/15/73/941491573.db2.gz KNIBWFIWQZAAMA-SJLPKXTDSA-N 2 0 321.465 0.847 20 30 DCEDRP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001482740711 941652025 /nfs/dbraw/zinc/65/20/25/941652025.db2.gz CBNFQAUVCJQPDJ-JKSUJKDBSA-N 2 0 318.421 0.465 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001483444267 942361398 /nfs/dbraw/zinc/36/13/98/942361398.db2.gz SFTSXVVFVWOOAY-DOTOQJQBSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077440091 942404760 /nfs/dbraw/zinc/40/47/60/942404760.db2.gz DGICPSDYKBQJKX-BZUAXINKSA-N 2 0 307.438 0.598 20 30 DCEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668724 942448848 /nfs/dbraw/zinc/44/88/48/942448848.db2.gz CXEDJMQJLHJAOW-IKGGRYGDSA-N 2 0 321.465 0.988 20 30 DCEDRP COCC#CCN1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483650676 942624404 /nfs/dbraw/zinc/62/44/04/942624404.db2.gz HSWRQXQZDFQGLZ-JKSUJKDBSA-N 2 0 305.422 0.169 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001272413682 942740910 /nfs/dbraw/zinc/74/09/10/942740910.db2.gz HBXNIRDEBCGCHN-DOTOQJQBSA-N 2 0 321.465 0.731 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CC[C@@]2(CC[NH+](CC#CCOC)C2)C1 ZINC001483848458 942976634 /nfs/dbraw/zinc/97/66/34/942976634.db2.gz UQVXLYJLQBSRNH-GOSISDBHSA-N 2 0 321.465 0.902 20 30 DCEDRP C#CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001483988617 943073336 /nfs/dbraw/zinc/07/33/36/943073336.db2.gz HTQFTOWIUKLTSK-HZPDHXFCSA-N 2 0 321.465 0.635 20 30 DCEDRP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001491235616 943853991 /nfs/dbraw/zinc/85/39/91/943853991.db2.gz FBEXJWRMJWBGHV-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCN1CC[NH+](CCCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001316959076 944682726 /nfs/dbraw/zinc/68/27/26/944682726.db2.gz BWNRTYCNXYBXNH-INIZCTEOSA-N 2 0 308.470 0.781 20 30 DCEDRP C=CCCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001486277924 944688834 /nfs/dbraw/zinc/68/88/34/944688834.db2.gz JVSXVHAAHNZCCR-HOTGVXAUSA-N 2 0 309.454 0.703 20 30 DCEDRP C#CC[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001277216964 944710594 /nfs/dbraw/zinc/71/05/94/944710594.db2.gz HFRHXSQSABRJEE-OAHLLOKOSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001277260210 944727791 /nfs/dbraw/zinc/72/77/91/944727791.db2.gz YESKSBXTEWZWSK-AWEZNQCLSA-N 2 0 322.453 0.401 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001317280687 944895292 /nfs/dbraw/zinc/89/52/92/944895292.db2.gz MOMATFZSSXGLSY-CABCVRRESA-N 2 0 324.469 0.503 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001318819385 945450634 /nfs/dbraw/zinc/45/06/34/945450634.db2.gz FHEMMOBKLQURKA-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCN1C(=O)CCC12CC[NH+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246708278 945467726 /nfs/dbraw/zinc/46/77/26/945467726.db2.gz DJKFEAVNZSHLEW-OAHLLOKOSA-N 2 0 318.465 0.723 20 30 DCEDRP COCC#CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001319020416 945482598 /nfs/dbraw/zinc/48/25/98/945482598.db2.gz ZXPAEVIDHPAUQK-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001320242980 945784845 /nfs/dbraw/zinc/78/48/45/945784845.db2.gz QLGRRWFORIWXAB-AWEZNQCLSA-N 2 0 300.362 0.346 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CCO1 ZINC001273323862 946631827 /nfs/dbraw/zinc/63/18/27/946631827.db2.gz RVFPBIMEYWIXPO-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001322512500 946706527 /nfs/dbraw/zinc/70/65/27/946706527.db2.gz WEMQBNUSSSBKGJ-HNNXBMFYSA-N 2 0 322.453 0.069 20 30 DCEDRP CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CC#CCOC)C2)C1)[NH+](C)C ZINC001323860394 947233517 /nfs/dbraw/zinc/23/35/17/947233517.db2.gz QQMXINVJGPWPMN-WMZOPIPTSA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001324096726 947311870 /nfs/dbraw/zinc/31/18/70/947311870.db2.gz DKXDVLZGDUKHFE-HOTGVXAUSA-N 2 0 309.454 0.946 20 30 DCEDRP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001325102614 947655284 /nfs/dbraw/zinc/65/52/84/947655284.db2.gz RQSTVYHVJWOOGS-GDBMZVCRSA-N 2 0 313.417 0.243 20 30 DCEDRP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001325138648 947675181 /nfs/dbraw/zinc/67/51/81/947675181.db2.gz VBQDXWYWWQWWJY-DOTOQJQBSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001325161009 947688408 /nfs/dbraw/zinc/68/84/08/947688408.db2.gz LGNDDHRAVRPXCY-DOTOQJQBSA-N 2 0 309.454 0.846 20 30 DCEDRP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001327565577 948552580 /nfs/dbraw/zinc/55/25/80/948552580.db2.gz VVRLJOWVDBQEQS-WMZOPIPTSA-N 2 0 321.465 0.847 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001273877496 948649572 /nfs/dbraw/zinc/64/95/72/948649572.db2.gz VYYHCINAMNMLEF-SJLPKXTDSA-N 2 0 319.449 0.295 20 30 DCEDRP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)CCN1CCOCC1 ZINC001328764879 949079094 /nfs/dbraw/zinc/07/90/94/949079094.db2.gz FZZBVTPTBLTPIN-INIZCTEOSA-N 2 0 307.438 0.655 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001328795270 949101588 /nfs/dbraw/zinc/10/15/88/949101588.db2.gz AKUZOSHJMBXIHE-MRXNPFEDSA-N 2 0 307.438 0.655 20 30 DCEDRP COCC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001265323223 949606265 /nfs/dbraw/zinc/60/62/65/949606265.db2.gz FZCLUQLYORHUCI-CVEARBPZSA-N 2 0 319.449 0.701 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001265813432 949965836 /nfs/dbraw/zinc/96/58/36/949965836.db2.gz QVSLRHUMZBKVAT-RDBSUJKOSA-N 2 0 310.442 0.113 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001330404480 950361190 /nfs/dbraw/zinc/36/11/90/950361190.db2.gz MOCJMXFDHLRMSB-LSDHHAIUSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001330404478 950361821 /nfs/dbraw/zinc/36/18/21/950361821.db2.gz MOCJMXFDHLRMSB-HUUCEWRRSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001330429127 950387565 /nfs/dbraw/zinc/38/75/65/950387565.db2.gz ZGSJUJGAYMXACH-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001279116107 950516278 /nfs/dbraw/zinc/51/62/78/950516278.db2.gz YMYZYEAOVXQQKU-CVEARBPZSA-N 2 0 321.465 0.805 20 30 DCEDRP CC#CC[N@H+](CCCNC(=O)[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001490393093 950635836 /nfs/dbraw/zinc/63/58/36/950635836.db2.gz DZNBBUBKIFFAHW-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001490440330 950662076 /nfs/dbraw/zinc/66/20/76/950662076.db2.gz QPVVNCFJKGMPHR-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](CCCCC#N)C2 ZINC001274043237 951359411 /nfs/dbraw/zinc/35/94/11/951359411.db2.gz NZJCWJGAVBJCAL-KRWDZBQOSA-N 2 0 322.453 0.793 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001332320230 951585478 /nfs/dbraw/zinc/58/54/78/951585478.db2.gz FLTGUSDDHIPMSQ-HZPDHXFCSA-N 2 0 319.449 0.607 20 30 DCEDRP C#CCNC(=O)C[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001274393298 951605360 /nfs/dbraw/zinc/60/53/60/951605360.db2.gz LAILGOPNFMPVOR-UHFFFAOYSA-N 2 0 322.453 0.048 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001281724939 951608607 /nfs/dbraw/zinc/60/86/07/951608607.db2.gz MPAFOWZWYYDDON-INIZCTEOSA-N 2 0 321.465 0.997 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001274752641 951823304 /nfs/dbraw/zinc/82/33/04/951823304.db2.gz GCPMBCNXAGWCHC-OAHLLOKOSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001274824572 951847858 /nfs/dbraw/zinc/84/78/58/951847858.db2.gz BRRUOFSVGODMMA-ZIAGYGMSSA-N 2 0 322.453 0.400 20 30 DCEDRP COCC#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001333071489 951906266 /nfs/dbraw/zinc/90/62/66/951906266.db2.gz WCGPEWOHYSKQKO-PRLABOORSA-N 2 0 307.438 0.555 20 30 DCEDRP CC#CC[N@H+](C)[C@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001275955224 952558864 /nfs/dbraw/zinc/55/88/64/952558864.db2.gz IPDGZBQYSUKAPM-CQSZACIVSA-N 2 0 305.426 0.518 20 30 DCEDRP C[NH+]1CCN(CC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC001335883567 952614219 /nfs/dbraw/zinc/61/42/19/952614219.db2.gz ZGINEWLXELBQKZ-MRXNPFEDSA-N 2 0 318.421 0.135 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001340221399 953155281 /nfs/dbraw/zinc/15/52/81/953155281.db2.gz DDZIWCVPACEDPB-GDBMZVCRSA-N 3 0 308.470 0.955 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)CCO)CC1 ZINC001281969319 953433195 /nfs/dbraw/zinc/43/31/95/953433195.db2.gz UICGAKHSSROWCA-MRXNPFEDSA-N 2 0 307.438 0.247 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001316621469 953637210 /nfs/dbraw/zinc/63/72/10/953637210.db2.gz FZBZHEGLYLYYON-CALCHBBNSA-N 2 0 321.465 0.853 20 30 DCEDRP COCC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001282678551 953645508 /nfs/dbraw/zinc/64/55/08/953645508.db2.gz VPRLTHSHLCEIJP-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001282678549 953646590 /nfs/dbraw/zinc/64/65/90/953646590.db2.gz VPRLTHSHLCEIJP-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC001345596942 953690036 /nfs/dbraw/zinc/69/00/36/953690036.db2.gz GKLGDABUOCSZMI-GFCCVEGCSA-N 2 0 303.366 0.335 20 30 DCEDRP CC(=O)c1cccc(OC[C@H](O)C[NH2+]CC#CC[NH+](C)C)c1 ZINC001356596785 956902256 /nfs/dbraw/zinc/90/22/56/956902256.db2.gz QVDABURMQMRLFA-MRXNPFEDSA-N 2 0 304.390 0.784 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCC[C@H](C)O)CC1 ZINC001491682505 959042846 /nfs/dbraw/zinc/04/28/46/959042846.db2.gz MBZCTSFZLWCIGB-GJZGRUSLSA-N 2 0 309.454 0.587 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CCOC)C2)CC1 ZINC001491855412 959310415 /nfs/dbraw/zinc/31/04/15/959310415.db2.gz HESSVFJKFODVRF-OAHLLOKOSA-N 2 0 307.438 0.416 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491883166 959349855 /nfs/dbraw/zinc/34/98/55/959349855.db2.gz SXTNJTHJDPWHAP-HZPDHXFCSA-N 2 0 321.465 0.995 20 30 DCEDRP CC[N@@H+](CC#CCOC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001317483735 960220872 /nfs/dbraw/zinc/22/08/72/960220872.db2.gz JSVJTLGOGMDFAZ-HOTGVXAUSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001316716845 960329321 /nfs/dbraw/zinc/32/93/21/960329321.db2.gz ZKFIVQFHYHAHLX-UHFFFAOYSA-N 2 0 319.409 0.416 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001507116350 1015998664 /nfs/dbraw/zinc/99/86/64/1015998664.db2.gz FKCBDJHIZCQTGV-KKUMJFAQSA-N 2 0 324.469 0.455 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CCC[C@H](C)O)CC1 ZINC001507163274 1016044413 /nfs/dbraw/zinc/04/44/13/1016044413.db2.gz UERASDQJZQIDTN-HOTGVXAUSA-N 2 0 323.481 0.929 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001507163827 1016045657 /nfs/dbraw/zinc/04/56/57/1016045657.db2.gz WUBGCQPCJIDFFY-HNNXBMFYSA-N 2 0 322.453 0.048 20 30 DCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001502880014 1016114784 /nfs/dbraw/zinc/11/47/84/1016114784.db2.gz KKXCCJDDXCDNHV-UHFFFAOYSA-N 2 0 309.454 0.990 20 30 DCEDRP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC#CC[NH+](C)C)CC1 ZINC001468799924 1016281218 /nfs/dbraw/zinc/28/12/18/1016281218.db2.gz WPDTUEYEAKVAPR-MRXNPFEDSA-N 2 0 323.485 0.124 20 30 DCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC001401546542 1000483203 /nfs/dbraw/zinc/48/32/03/1000483203.db2.gz AXVZJFLBZLHKNX-BXUZGUMPSA-N 2 0 322.434 0.281 20 30 DCEDRP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(C#N)s1 ZINC001425837234 1003165246 /nfs/dbraw/zinc/16/52/46/1003165246.db2.gz DIMYKDDNGXRDDR-LBPRGKRZSA-N 2 0 324.450 0.527 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C2(C3(O)C[NH2+]C3)CCC2)CC1 ZINC001574836935 1163765715 /nfs/dbraw/zinc/76/57/15/1163765715.db2.gz XLMDIZVWKZKOMB-UHFFFAOYSA-N 2 0 307.438 0.648 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1OCC ZINC001479548039 1017582909 /nfs/dbraw/zinc/58/29/09/1017582909.db2.gz LIAOYWKLENVDEA-HUUCEWRRSA-N 2 0 307.438 0.721 20 30 DCEDRP C#CCC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001479653009 1017632558 /nfs/dbraw/zinc/63/25/58/1017632558.db2.gz ZLMVFGKBQQWFFG-HOTGVXAUSA-N 2 0 307.438 0.389 20 30 DCEDRP C#CCNCc1nc2c(s1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001479741962 1017686659 /nfs/dbraw/zinc/68/66/59/1017686659.db2.gz OVFGPNLSTKTNAB-LBPRGKRZSA-N 2 0 318.446 0.702 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001499920656 1018134038 /nfs/dbraw/zinc/13/40/38/1018134038.db2.gz IQDVVFKKSHTMLQ-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CCCOC)CC1 ZINC001499955063 1018149172 /nfs/dbraw/zinc/14/91/72/1018149172.db2.gz MVVZWJDJQXILQE-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CC#CCOC)C1CC1 ZINC001480064827 1018175821 /nfs/dbraw/zinc/17/58/21/1018175821.db2.gz DDPDANJFYDOHFH-DLBZAZTESA-N 2 0 321.465 0.995 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001480264713 1018387168 /nfs/dbraw/zinc/38/71/68/1018387168.db2.gz GNWMRZYGZDTYSP-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001480269698 1018392288 /nfs/dbraw/zinc/39/22/88/1018392288.db2.gz NBGYWVWDENRVAV-INIZCTEOSA-N 2 0 307.438 0.560 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001480368451 1018469668 /nfs/dbraw/zinc/46/96/68/1018469668.db2.gz XEJRDEMKVLMCHE-HNNXBMFYSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001497926587 1018519369 /nfs/dbraw/zinc/51/93/69/1018519369.db2.gz GMXVRUBSOXEIAH-CYBMUJFWSA-N 2 0 310.442 0.115 20 30 DCEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001500695183 1018583360 /nfs/dbraw/zinc/58/33/60/1018583360.db2.gz HDNYGPNLCAQNDT-WMZOPIPTSA-N 2 0 321.465 0.683 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CN(C)CC#CCOC ZINC001498456927 1019135312 /nfs/dbraw/zinc/13/53/12/1019135312.db2.gz QOPMGJDFVBEBNT-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)C[C@@H](C)OC)CC1 ZINC001498457933 1019139319 /nfs/dbraw/zinc/13/93/19/1019139319.db2.gz VFMVVSGZUZORCE-HUUCEWRRSA-N 2 0 309.454 0.803 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+][C@H](CC)C(N)=O)CC1 ZINC001496238788 1019186177 /nfs/dbraw/zinc/18/61/77/1019186177.db2.gz MXCIWHUMRJYBFG-DZGCQCFKSA-N 2 0 322.453 0.032 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001496365035 1019268606 /nfs/dbraw/zinc/26/86/06/1019268606.db2.gz WKEFZMMDSHFSQL-JKSUJKDBSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001494179242 1020052605 /nfs/dbraw/zinc/05/26/05/1020052605.db2.gz CSDKRCUBXSBDIE-IAGOWNOFSA-N 2 0 321.465 0.758 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001662857415 1174248063 /nfs/dbraw/zinc/24/80/63/1174248063.db2.gz ZPDQVQSTHCMXSZ-HZPDHXFCSA-N 2 0 307.438 0.653 20 30 DCEDRP [NH2+]=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCOCC1 ZINC000179738057 237254213 /nfs/dbraw/zinc/25/42/13/237254213.db2.gz NOVRGFLLUSEVLD-UHFFFAOYSA-N 2 0 303.410 0.945 20 30 DCEDRP CN(CCC#N)C[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000580182968 396491618 /nfs/dbraw/zinc/49/16/18/396491618.db2.gz MQQRMPJQDOYNOI-IXDOHACOSA-N 2 0 324.469 0.160 20 30 DCEDRP C#CCN1CCN(C(=O)C[NH+]2CCC(C)(COC)CC2)CC1 ZINC000490923826 397498491 /nfs/dbraw/zinc/49/84/91/397498491.db2.gz MDYHXNGMBHXEEV-UHFFFAOYSA-N 2 0 307.438 0.512 20 30 DCEDRP C#CCNC(=O)[C@H](C)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000154011077 415988909 /nfs/dbraw/zinc/98/89/09/415988909.db2.gz HVFYSSDGVLSFTB-BBWFWOEESA-N 2 0 320.481 0.615 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174728748 416086060 /nfs/dbraw/zinc/08/60/60/416086060.db2.gz UBURMZAOGZACHQ-UHFFFAOYSA-N 2 0 310.486 0.980 20 30 DCEDRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)[C@H](C)C1 ZINC000329240141 416158213 /nfs/dbraw/zinc/15/82/13/416158213.db2.gz MLOMKMCHTSUJNO-ILXRZTDVSA-N 2 0 324.469 0.772 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[NH+](CC)CC)CC1 ZINC000339583623 416160089 /nfs/dbraw/zinc/16/00/89/416160089.db2.gz URSFUXXZMAJQCO-UHFFFAOYSA-N 2 0 324.469 0.601 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261632246 416335496 /nfs/dbraw/zinc/33/54/96/416335496.db2.gz DFDNTPCDSOQREW-RRFJBIMHSA-N 2 0 322.453 0.257 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420341405 416418643 /nfs/dbraw/zinc/41/86/43/416418643.db2.gz ODIHDWVWYRSWOD-OCCSQVGLSA-N 2 0 308.426 0.851 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@@H+](C)[C@@H]2C[C@H](OC)C23CCC3)CC1 ZINC000491327544 416595452 /nfs/dbraw/zinc/59/54/52/416595452.db2.gz WIKZFGFKUZDVHP-CVEARBPZSA-N 2 0 319.449 0.653 20 30 DCEDRP CN(C)CC[NH+]1CCC(CNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424163074 416619782 /nfs/dbraw/zinc/61/97/82/416619782.db2.gz XHGAFSWFBCHPJY-OAHLLOKOSA-N 2 0 309.458 0.397 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424159448 416620332 /nfs/dbraw/zinc/62/03/32/416620332.db2.gz SVMXMWZYXSQVJC-AWEZNQCLSA-N 2 0 318.425 0.583 20 30 DCEDRP CC(C)[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)N1CC[NH+](C)CC1 ZINC000565714341 417009548 /nfs/dbraw/zinc/00/95/48/417009548.db2.gz IWLPCMMJRXICJY-HUUCEWRRSA-N 2 0 309.458 0.396 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000576169210 417586002 /nfs/dbraw/zinc/58/60/02/417586002.db2.gz BIHHGLJJLIJFLW-VXGBXAGGSA-N 2 0 305.382 0.610 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659706394 418155504 /nfs/dbraw/zinc/15/55/04/418155504.db2.gz KLQUELYPWPHHSB-OAHLLOKOSA-N 2 0 324.469 0.633 20 30 DCEDRP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N1CC[C@@]2(CCOC2)C1 ZINC000261962324 277749594 /nfs/dbraw/zinc/74/95/94/277749594.db2.gz KOGLXHTVUNCNHX-MRXNPFEDSA-N 2 0 324.469 0.785 20 30 DCEDRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC#Cc2cccc(F)c2)CC1 ZINC000564868302 331829072 /nfs/dbraw/zinc/82/90/72/331829072.db2.gz DSUGAQDGFFBWPG-KRWDZBQOSA-N 2 0 305.397 0.375 20 30 DCEDRP CCOC(=O)N1CCC(NC(=[NH2+])NCC[NH+](CC)CC)CC1 ZINC000303696617 340342871 /nfs/dbraw/zinc/34/28/71/340342871.db2.gz FDUBZFPLRFWOAH-UHFFFAOYSA-N 2 0 313.446 0.853 20 30 DCEDRP C=CC[N@H+]1CC[C@](O)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001569761997 1161232312 /nfs/dbraw/zinc/23/23/12/1161232312.db2.gz DKUTVBITACOCJZ-KRWDZBQOSA-N 2 0 309.454 0.846 20 30 DCEDRP C[C@H]1C[NH+]=C(NCc2cccc(CNC3=[NH+]C[C@H](C)N3)c2)N1 ZINC000262633233 533990805 /nfs/dbraw/zinc/99/08/05/533990805.db2.gz GDHYJOBTNZPYQP-RYUDHWBXSA-N 2 0 300.410 0.561 20 30 DCEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000175577032 526377283 /nfs/dbraw/zinc/37/72/83/526377283.db2.gz MZAYHYDLJSHTLP-KGLIPLIRSA-N 2 0 304.442 0.737 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000248700758 526426398 /nfs/dbraw/zinc/42/63/98/526426398.db2.gz ZNUOVCHHGLDBDY-CABCVRRESA-N 2 0 324.469 0.733 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000364097042 526920091 /nfs/dbraw/zinc/92/00/91/526920091.db2.gz RFEDQEMGNSDANZ-IAGOWNOFSA-N 2 0 319.449 0.389 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368825932 527025161 /nfs/dbraw/zinc/02/51/61/527025161.db2.gz OWPCSXRTFPDXDI-INIZCTEOSA-N 2 0 320.481 0.474 20 30 DCEDRP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001666298679 1174597609 /nfs/dbraw/zinc/59/76/09/1174597609.db2.gz PMHQECSFLMKPIO-BZUAXINKSA-N 2 0 307.438 0.747 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001673700455 1175225367 /nfs/dbraw/zinc/22/53/67/1175225367.db2.gz XWKSUDJEGGLLSI-RDJZCZTQSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CCO)CC2(C)C)CC1 ZINC000977650394 660409685 /nfs/dbraw/zinc/40/96/85/660409685.db2.gz CVGHJRAPLVMMLR-HNNXBMFYSA-N 2 0 307.438 0.151 20 30 DCEDRP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000981540538 661169641 /nfs/dbraw/zinc/16/96/41/661169641.db2.gz DPOATFFRYSSVPZ-SJORKVTESA-N 2 0 301.434 0.982 20 30 DCEDRP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000981646516 661189456 /nfs/dbraw/zinc/18/94/56/661189456.db2.gz MDGWEZZLCDZLNY-PQUAAJSLSA-N 2 0 319.449 0.960 20 30 DCEDRP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001023448909 657874700 /nfs/dbraw/zinc/87/47/00/657874700.db2.gz BEIZIOPLGNONCS-CABCVRRESA-N 2 0 300.406 0.907 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891920837 657917262 /nfs/dbraw/zinc/91/72/62/657917262.db2.gz DTEJJFULIDTMDB-VXGBXAGGSA-N 2 0 320.359 0.720 20 30 DCEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001022838693 658653049 /nfs/dbraw/zinc/65/30/49/658653049.db2.gz WWGKYSXZBWCHSY-GASCZTMLSA-N 2 0 305.426 0.871 20 30 DCEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022122203 658877981 /nfs/dbraw/zinc/87/79/81/658877981.db2.gz RAIVTHTYOWBEEX-CRWXNKLISA-N 2 0 313.829 0.839 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2C[C@H](C)O)CC1 ZINC001028333348 661462345 /nfs/dbraw/zinc/46/23/45/661462345.db2.gz IDMHBQLEYZVASH-GOEBONIOSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698835 661765041 /nfs/dbraw/zinc/76/50/41/661765041.db2.gz QPXKFRMFTBHTNI-JBCIKUTRSA-N 2 0 317.433 0.311 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CN(C)CCO2)C(C)(C)C1 ZINC000940648939 665822376 /nfs/dbraw/zinc/82/23/76/665822376.db2.gz JXKMYBSIIRVVFT-CABCVRRESA-N 2 0 307.438 0.557 20 30 DCEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000985543347 662476030 /nfs/dbraw/zinc/47/60/30/662476030.db2.gz MFGLONPUCBZCTO-BFHRDPOASA-N 2 0 319.449 0.958 20 30 DCEDRP C[NH+](C)CCCN(CCC#N)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900377733 663239123 /nfs/dbraw/zinc/23/91/23/663239123.db2.gz CRRHLDQXEBSRHV-INIZCTEOSA-N 2 0 310.442 0.527 20 30 DCEDRP C#CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001000974703 665969227 /nfs/dbraw/zinc/96/92/27/665969227.db2.gz DGHGRDHSUYUMSH-UPTPFMHGSA-N 2 0 315.417 0.231 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC000908435368 663755364 /nfs/dbraw/zinc/75/53/64/663755364.db2.gz GAVXKZIPMZAQAZ-HNNXBMFYSA-N 2 0 303.410 0.861 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000911236087 664009084 /nfs/dbraw/zinc/00/90/84/664009084.db2.gz MTVGTIWHLNDLCZ-AWEZNQCLSA-N 2 0 322.453 0.257 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000913518982 664337617 /nfs/dbraw/zinc/33/76/17/664337617.db2.gz IQWFAZWKBFWNAW-QGZVFWFLSA-N 2 0 315.417 0.569 20 30 DCEDRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000925414526 664801396 /nfs/dbraw/zinc/80/13/96/664801396.db2.gz OTYWBRATURUQHK-IBDQYESBSA-N 2 0 304.394 0.443 20 30 DCEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001031689587 665290950 /nfs/dbraw/zinc/29/09/50/665290950.db2.gz WPRMMJVPGMATDW-JKSUJKDBSA-N 2 0 307.438 0.864 20 30 DCEDRP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001001426890 666050975 /nfs/dbraw/zinc/05/09/75/666050975.db2.gz XVMKYRPFWNMAGZ-IRXDYDNUSA-N 2 0 319.449 0.701 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001003330827 666297250 /nfs/dbraw/zinc/29/72/50/666297250.db2.gz DLCUHXJPTNGBQC-GULBITTBSA-N 2 0 305.422 0.616 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](C[C@@H](C)OC)CC2)CC1 ZINC001004202252 666475969 /nfs/dbraw/zinc/47/59/69/666475969.db2.gz XOYDUMQNSOEFCE-OAHLLOKOSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033280061 666659555 /nfs/dbraw/zinc/65/95/55/666659555.db2.gz ZVFACSLYXBREGT-LPMVOBIJSA-N 2 0 317.433 0.406 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884214213 667500358 /nfs/dbraw/zinc/50/03/58/667500358.db2.gz WKCVEJFJHKNYGY-UUCFBXCCSA-N 2 0 302.422 0.892 20 30 DCEDRP C#CC[N@@H+]1CCC[C@@H](Nc2ccnc(N3CCOCC3)n2)C1 ZINC000884612104 667575866 /nfs/dbraw/zinc/57/58/66/667575866.db2.gz DAVAQEPIGAARRV-CQSZACIVSA-N 2 0 301.394 0.823 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000884642229 667581276 /nfs/dbraw/zinc/58/12/76/667581276.db2.gz DMCQUVZLHOZHAC-OLZOCXBDSA-N 2 0 308.426 0.091 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000884642475 667581346 /nfs/dbraw/zinc/58/13/46/667581346.db2.gz KFGGIKAHIPQACB-GJZGRUSLSA-N 2 0 320.437 0.106 20 30 DCEDRP C#C[C@@H]([NH2+]CCOCC[NH2+][C@@H](C#C)[C@@H]1CCCO1)[C@H]1CCCO1 ZINC000775795084 668867835 /nfs/dbraw/zinc/86/78/35/668867835.db2.gz LOWMHYZSVHCMKQ-USTZCAOPSA-N 2 0 320.433 0.544 20 30 DCEDRP C=CCNC(=O)NC(=O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879246306 669001774 /nfs/dbraw/zinc/00/17/74/669001774.db2.gz BQXXTCMVHAHGDY-UHFFFAOYSA-N 2 0 308.426 0.806 20 30 DCEDRP C[NH+](C)CCCN(CCC#N)C(=O)COC1CC[NH+](C)CC1 ZINC000930706608 669064038 /nfs/dbraw/zinc/06/40/38/669064038.db2.gz VBFCZLMKINMAHF-UHFFFAOYSA-N 2 0 310.442 0.791 20 30 DCEDRP C[C@@H]1C[NH+]=C(NCCCC[NH+]2CCN(c3ncccn3)CC2)N1 ZINC000849003131 670748034 /nfs/dbraw/zinc/74/80/34/670748034.db2.gz JUJWUUMIFXSIGL-CQSZACIVSA-N 2 0 317.441 0.316 20 30 DCEDRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852896610 671189333 /nfs/dbraw/zinc/18/93/33/671189333.db2.gz FYJQIDSIIDUICI-ZACQAIPSSA-N 2 0 319.449 0.877 20 30 DCEDRP CC1CC[NH+](CCNC(=[NH2+])NCCCN2CCOCC2)CC1 ZINC000303910774 685208139 /nfs/dbraw/zinc/20/81/39/685208139.db2.gz ZEHZSFNOTFRKBB-UHFFFAOYSA-N 2 0 311.474 0.345 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958215599 687447422 /nfs/dbraw/zinc/44/74/22/687447422.db2.gz XFOMJZVHJUKHFF-JKSUJKDBSA-N 2 0 321.465 0.990 20 30 DCEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC000958214828 687447735 /nfs/dbraw/zinc/44/77/35/687447735.db2.gz NNEHAMQRNNMZBR-HUUCEWRRSA-N 2 0 305.422 0.047 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](C[C@@H](C)O)C2)CC1 ZINC001009624971 691076732 /nfs/dbraw/zinc/07/67/32/691076732.db2.gz CBBZCRMFLGBGBU-GDBMZVCRSA-N 2 0 307.438 0.293 20 30 DCEDRP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001073434003 694726599 /nfs/dbraw/zinc/72/65/99/694726599.db2.gz ZHOJKDWJIZJFRY-HNNXBMFYSA-N 2 0 307.438 0.675 20 30 DCEDRP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001073605257 694750124 /nfs/dbraw/zinc/75/01/24/694750124.db2.gz GFJGERKKTGIQRE-IRXDYDNUSA-N 2 0 319.449 0.559 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073611422 694751678 /nfs/dbraw/zinc/75/16/78/694751678.db2.gz WOAIQOUMLRTQAC-BZUAXINKSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073862870 694793972 /nfs/dbraw/zinc/79/39/72/694793972.db2.gz ZFKPACLNHGTWQN-HNNXBMFYSA-N 2 0 305.422 0.313 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001570459055 1162521201 /nfs/dbraw/zinc/52/12/01/1162521201.db2.gz HVVIVMYMHJMEPX-GOEBONIOSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001570530297 1162536629 /nfs/dbraw/zinc/53/66/29/1162536629.db2.gz IORHMPIIGPSSBX-HNNXBMFYSA-N 2 0 317.437 0.614 20 30 DCEDRP COCC#CC[NH2+]CC1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001570571956 1162546401 /nfs/dbraw/zinc/54/64/01/1162546401.db2.gz MUWMUSKNAIVOSW-UHFFFAOYSA-N 2 0 307.438 0.462 20 30 DCEDRP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001571583919 1162827422 /nfs/dbraw/zinc/82/74/22/1162827422.db2.gz LFBPTWCIMRVEGW-OAHLLOKOSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[NH2+]C[C@H](C)CC)CC1 ZINC001571597015 1162842012 /nfs/dbraw/zinc/84/20/12/1162842012.db2.gz DINPMGCKIVCONE-WBVHZDCISA-N 2 0 323.481 0.787 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCOC(C)C)CC1 ZINC001772517038 1157408509 /nfs/dbraw/zinc/40/85/09/1157408509.db2.gz IMGVEDLDSBEVDW-OAHLLOKOSA-N 2 0 309.454 0.851 20 30 DCEDRP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001671604059 1157501236 /nfs/dbraw/zinc/50/12/36/1157501236.db2.gz VOSNKODQKICIPD-KRWDZBQOSA-N 2 0 320.481 0.570 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001691163741 1157602137 /nfs/dbraw/zinc/60/21/37/1157602137.db2.gz DHKBYTLPZBELLC-KKUMJFAQSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1OCC ZINC001691323361 1157642671 /nfs/dbraw/zinc/64/26/71/1157642671.db2.gz IVBZTNYEVUFPAO-BZUAXINKSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001691785843 1157694362 /nfs/dbraw/zinc/69/43/62/1157694362.db2.gz FWZMCQGWNNKNBD-SHTZXODSSA-N 2 0 317.437 0.566 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001248690122 1159136675 /nfs/dbraw/zinc/13/66/75/1159136675.db2.gz IJXPDVLPBJTWAI-KBPBESRZSA-N 2 0 310.467 0.430 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001566855339 1160169155 /nfs/dbraw/zinc/16/91/55/1160169155.db2.gz YNGLOIJAXBVRQZ-GASCZTMLSA-N 2 0 322.453 0.257 20 30 DCEDRP CC#CC[NH2+]C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C1CC1 ZINC001569324011 1161012308 /nfs/dbraw/zinc/01/23/08/1161012308.db2.gz NPBFLGZJAJNOOK-MRXNPFEDSA-N 2 0 317.437 0.566 20 30 DCEDRP C#CCC[N@H+]1CC[C@](O)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001569764798 1161235073 /nfs/dbraw/zinc/23/50/73/1161235073.db2.gz FVAVBEWIAUJGJL-SFHVURJKSA-N 2 0 321.465 0.829 20 30 DCEDRP C=C(C)C[NH+]1CCC[C@](CO)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001569897878 1161305723 /nfs/dbraw/zinc/30/57/23/1161305723.db2.gz IAPQXOGQCOSNFC-WBVHZDCISA-N 2 0 309.454 0.847 20 30 DCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1C ZINC001570344483 1161574282 /nfs/dbraw/zinc/57/42/82/1161574282.db2.gz PKNVMEGFIBOUOG-JKSUJKDBSA-N 2 0 321.465 0.805 20 30 DCEDRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC001575962564 1164193854 /nfs/dbraw/zinc/19/38/54/1164193854.db2.gz UKIAHGSPLZBLHV-HUUCEWRRSA-N 2 0 309.458 0.540 20 30 DCEDRP C[NH+](C)CCCN(CCC#N)C(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001578415612 1165005773 /nfs/dbraw/zinc/00/57/73/1165005773.db2.gz ATNGPSKLNNEBBJ-MRXNPFEDSA-N 2 0 321.425 0.579 20 30 DCEDRP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001656230992 1173853859 /nfs/dbraw/zinc/85/38/59/1173853859.db2.gz GIAGCIFAXSHYSB-SHTZXODSSA-N 2 0 307.438 0.605 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001662857429 1174247430 /nfs/dbraw/zinc/24/74/30/1174247430.db2.gz ZPDQVQSTHCMXSZ-JKSUJKDBSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CCOCC[N@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001665676416 1174548504 /nfs/dbraw/zinc/54/85/04/1174548504.db2.gz KZUDHQYKQLMRLR-HNNXBMFYSA-N 2 0 307.438 0.818 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001666563163 1174610407 /nfs/dbraw/zinc/61/04/07/1174610407.db2.gz IUZGYRMWAJBOHF-HZPDHXFCSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001672018518 1175062630 /nfs/dbraw/zinc/06/26/30/1175062630.db2.gz GVEVVJGIGCXMHE-NVXWUHKLSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001673129220 1175174955 /nfs/dbraw/zinc/17/49/55/1175174955.db2.gz QULDNFMCNBQIME-OAHLLOKOSA-N 2 0 322.453 0.048 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC#CCOC)C1 ZINC001673924011 1175241756 /nfs/dbraw/zinc/24/17/56/1175241756.db2.gz SXKPJRWCSOJRHK-CVEARBPZSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001674074999 1175251598 /nfs/dbraw/zinc/25/15/98/1175251598.db2.gz FEYNXGCLUPNWRM-OAHLLOKOSA-N 2 0 309.454 0.988 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001674687356 1175290912 /nfs/dbraw/zinc/29/09/12/1175290912.db2.gz PCNMIVPECKQWQA-HZPDHXFCSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001677168205 1175542395 /nfs/dbraw/zinc/54/23/95/1175542395.db2.gz AQMJNWBMRQGDCI-IRXDYDNUSA-N 2 0 323.481 0.883 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001684871234 1176005245 /nfs/dbraw/zinc/00/52/45/1176005245.db2.gz CTWZQGHEWYULRJ-MRXNPFEDSA-N 2 0 322.453 0.494 20 30 DCEDRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC#CC[NH+](C)C)C1 ZINC001685829317 1176042676 /nfs/dbraw/zinc/04/26/76/1176042676.db2.gz FFMVWAPXFUUQMQ-MRXNPFEDSA-N 2 0 324.469 0.694 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1OCC ZINC001689071022 1176688729 /nfs/dbraw/zinc/68/87/29/1176688729.db2.gz JQYXCMZWTLXPDY-BZUAXINKSA-N 2 0 309.454 0.659 20 30 DCEDRP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H](C(C)C)[NH+](C)C)n1 ZINC001689139316 1176705484 /nfs/dbraw/zinc/70/54/84/1176705484.db2.gz KRISEEFQSDQERQ-HNNXBMFYSA-N 2 0 321.425 0.660 20 30 DCEDRP COCC#CC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001690004458 1177138982 /nfs/dbraw/zinc/13/89/82/1177138982.db2.gz URRBEPFXCUGSDV-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001698976353 1177745369 /nfs/dbraw/zinc/74/53/69/1177745369.db2.gz WOYWOSXJXMZTNI-HNNXBMFYSA-N 2 0 309.454 0.708 20 30 DCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001699972114 1178402750 /nfs/dbraw/zinc/40/27/50/1178402750.db2.gz KPTDYPCEKAZTTR-CABCVRRESA-N 2 0 309.454 0.967 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001700244189 1178551595 /nfs/dbraw/zinc/55/15/95/1178551595.db2.gz QMMQTUXQNIOVJG-KRWDZBQOSA-N 2 0 309.454 0.541 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001700762383 1178733984 /nfs/dbraw/zinc/73/39/84/1178733984.db2.gz WSYHSUNZHJZOAY-CQSZACIVSA-N 2 0 322.453 0.354 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001700826728 1178766254 /nfs/dbraw/zinc/76/62/54/1178766254.db2.gz SUFAOIPTHSTZNM-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001700938553 1178815156 /nfs/dbraw/zinc/81/51/56/1178815156.db2.gz UTJLIGHVXCEERH-OAHLLOKOSA-N 2 0 309.454 0.683 20 30 DCEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1OCC ZINC001707153088 1180424320 /nfs/dbraw/zinc/42/43/20/1180424320.db2.gz PTQSXRUJZTVOBG-HUUCEWRRSA-N 2 0 306.410 0.912 20 30 DCEDRP C=C(C)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)CC[NH+](C)C)n1 ZINC001707177984 1180427249 /nfs/dbraw/zinc/42/72/49/1180427249.db2.gz IEHKPGFJJFGMQO-UHFFFAOYSA-N 2 0 307.398 0.416 20 30 DCEDRP C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001707208582 1180433212 /nfs/dbraw/zinc/43/32/12/1180433212.db2.gz LSDLVLUGVDSSRB-QGZVFWFLSA-N 2 0 321.465 0.637 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001713380475 1180791879 /nfs/dbraw/zinc/79/18/79/1180791879.db2.gz FGSGTQIKMPAGPL-CABCVRRESA-N 2 0 322.453 0.401 20 30 DCEDRP COCC#CC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001713557696 1180920263 /nfs/dbraw/zinc/92/02/63/1180920263.db2.gz VOBHYJHKJFYXPD-KRWDZBQOSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001713810339 1181086497 /nfs/dbraw/zinc/08/64/97/1181086497.db2.gz BLVSIIXPVDRMLV-UHFFFAOYSA-N 2 0 306.454 0.085 20 30 DCEDRP CC#CC[NH2+][C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001713884141 1181129322 /nfs/dbraw/zinc/12/93/22/1181129322.db2.gz QXKGYJKTFCXGAU-HOCLYGCPSA-N 2 0 307.438 0.462 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001714135137 1181258215 /nfs/dbraw/zinc/25/82/15/1181258215.db2.gz SFPMBVBPVJLLOB-GJZGRUSLSA-N 2 0 324.469 0.600 20 30 DCEDRP COCC#CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001714151780 1181265446 /nfs/dbraw/zinc/26/54/46/1181265446.db2.gz UJMBEXSSJXJSMB-OAHLLOKOSA-N 2 0 307.438 0.607 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001714200857 1181279234 /nfs/dbraw/zinc/27/92/34/1181279234.db2.gz FHEMMOBKLQURKA-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]Cc2ccon2)CC1 ZINC001714453645 1181370000 /nfs/dbraw/zinc/37/00/00/1181370000.db2.gz PCLOVDVGQCZIEB-CQSZACIVSA-N 2 0 318.421 0.862 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]C[C@H](C)O)CCCC2)CC1 ZINC001714514234 1181396570 /nfs/dbraw/zinc/39/65/70/1181396570.db2.gz TVWMLJDGBHDQJY-HNNXBMFYSA-N 2 0 321.465 0.731 20 30 DCEDRP C=CCOCC[NH+]1CC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001714640928 1181456998 /nfs/dbraw/zinc/45/69/98/1181456998.db2.gz DJQUFLDIEMJDLF-HZPDHXFCSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C(C)C)C1=O ZINC001714884377 1181585911 /nfs/dbraw/zinc/58/59/11/1181585911.db2.gz YTJCUACTYVWFTF-GJZGRUSLSA-N 2 0 324.469 0.550 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001714908349 1181597248 /nfs/dbraw/zinc/59/72/48/1181597248.db2.gz NBCYYNDXIVDFQV-MRXNPFEDSA-N 2 0 309.454 0.757 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001716407823 1182379036 /nfs/dbraw/zinc/37/90/36/1182379036.db2.gz ANFISZRYKHUHBA-RDBSUJKOSA-N 2 0 310.442 0.256 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCCOCC)CC1 ZINC001716671895 1182489893 /nfs/dbraw/zinc/48/98/93/1182489893.db2.gz VGPANTXNMANJEX-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)CCO1 ZINC001717172140 1182707928 /nfs/dbraw/zinc/70/79/28/1182707928.db2.gz FZCOTKIDZYQGNC-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCOCC1 ZINC001717267690 1182758108 /nfs/dbraw/zinc/75/81/08/1182758108.db2.gz XGDYROUXDLTDJL-HZPDHXFCSA-N 2 0 319.449 0.892 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001717324116 1182782338 /nfs/dbraw/zinc/78/23/38/1182782338.db2.gz ZPUOJUKTULEKGV-CVEARBPZSA-N 2 0 319.449 0.580 20 30 DCEDRP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001717944636 1183083656 /nfs/dbraw/zinc/08/36/56/1183083656.db2.gz NBGAJVYYRZCWLT-INIZCTEOSA-N 2 0 309.454 0.637 20 30 DCEDRP C#CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC[NH+](CCO)CC1 ZINC001724065361 1184374814 /nfs/dbraw/zinc/37/48/14/1184374814.db2.gz TUDNCJDPFJOZIT-HOTGVXAUSA-N 2 0 321.465 0.778 20 30 DCEDRP C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)C1=O ZINC001724173769 1184397538 /nfs/dbraw/zinc/39/75/38/1184397538.db2.gz MGIAODCDXKIUAP-RHSMWYFYSA-N 2 0 322.453 0.306 20 30 DCEDRP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001724212761 1184401826 /nfs/dbraw/zinc/40/18/26/1184401826.db2.gz BVSVQALGJKYUQV-JFIYKMOQSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001724343360 1184411315 /nfs/dbraw/zinc/41/13/15/1184411315.db2.gz QSCMLVPVJBECTA-GOSISDBHSA-N 2 0 321.465 0.950 20 30 DCEDRP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001724402893 1184432273 /nfs/dbraw/zinc/43/22/73/1184432273.db2.gz UEFIBXLNIDIICD-GOSISDBHSA-N 2 0 319.449 0.439 20 30 DCEDRP C=CCCC[N@H+]1CC[C@@](O)(CNC(=O)Cn2ccnc2C)C1 ZINC001724426202 1184440136 /nfs/dbraw/zinc/44/01/36/1184440136.db2.gz FHSWNSWIGBDJKS-MRXNPFEDSA-N 2 0 306.410 0.711 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001724534898 1184460416 /nfs/dbraw/zinc/46/04/16/1184460416.db2.gz VRNFGAIWLOGOOZ-CVEARBPZSA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001724690752 1184523963 /nfs/dbraw/zinc/52/39/63/1184523963.db2.gz YRGQNFGJDCZMNE-HOTGVXAUSA-N 2 0 309.454 0.541 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001724981435 1184644036 /nfs/dbraw/zinc/64/40/36/1184644036.db2.gz MCAWIWYOVOBBNR-MRXNPFEDSA-N 2 0 321.465 0.827 20 30 DCEDRP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001725112618 1184686681 /nfs/dbraw/zinc/68/66/81/1184686681.db2.gz MHKDZLIRHBWLRP-KGLIPLIRSA-N 2 0 305.426 0.564 20 30 DCEDRP C=CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001725329176 1184772108 /nfs/dbraw/zinc/77/21/08/1184772108.db2.gz PGDOQMJSSAIEDR-GJZGRUSLSA-N 2 0 307.438 0.864 20 30 DCEDRP C=CCC[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001725716040 1184964826 /nfs/dbraw/zinc/96/48/26/1184964826.db2.gz VQRGELSPEAQJDU-GJZGRUSLSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[NH2+]CCCO)C2)CC1 ZINC001731530523 1185375166 /nfs/dbraw/zinc/37/51/66/1185375166.db2.gz LMRZRKKAUKLBLJ-MRXNPFEDSA-N 2 0 321.465 0.542 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001731859668 1185533537 /nfs/dbraw/zinc/53/35/37/1185533537.db2.gz FKHRXVQXDMVOTM-CABCVRRESA-N 2 0 322.453 0.211 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001732058974 1185651393 /nfs/dbraw/zinc/65/13/93/1185651393.db2.gz DWKQYNBSRUEOCD-HZPDHXFCSA-N 2 0 309.454 0.969 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001732649308 1185895591 /nfs/dbraw/zinc/89/55/91/1185895591.db2.gz NUTQYTKLXAXDPZ-MRXNPFEDSA-N 2 0 317.433 0.494 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001732667057 1185908140 /nfs/dbraw/zinc/90/81/40/1185908140.db2.gz NUWZWFNYNRWYAT-JKSUJKDBSA-N 2 0 309.454 0.587 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCOC2CCC2)CC1 ZINC001732982913 1186091395 /nfs/dbraw/zinc/09/13/95/1186091395.db2.gz HDCKIGNQJPPTIY-OAHLLOKOSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2cnoc2C)CC1 ZINC001733026955 1186107796 /nfs/dbraw/zinc/10/77/96/1186107796.db2.gz HDQOLNNIQZFTLI-ZDUSSCGKSA-N 2 0 318.421 0.923 20 30 DCEDRP CC#CC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001733041890 1186116480 /nfs/dbraw/zinc/11/64/80/1186116480.db2.gz JOKIXLZSGNNJKY-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001733444740 1186272696 /nfs/dbraw/zinc/27/26/96/1186272696.db2.gz FHOWCTOYPPVHSF-PBHICJAKSA-N 2 0 322.453 0.069 20 30 DCEDRP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cnc2C)C1 ZINC001733491455 1186299012 /nfs/dbraw/zinc/29/90/12/1186299012.db2.gz TXRWCNWABWUNAI-INIZCTEOSA-N 2 0 306.410 0.780 20 30 DCEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001733491515 1186300828 /nfs/dbraw/zinc/30/08/28/1186300828.db2.gz ONYQAZOPGMKJAP-KRWDZBQOSA-N 2 0 309.454 0.541 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCO1 ZINC001733743461 1186427909 /nfs/dbraw/zinc/42/79/09/1186427909.db2.gz NQMHQIWUUGLCEF-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCO1 ZINC001733751321 1186431640 /nfs/dbraw/zinc/43/16/40/1186431640.db2.gz IGBNKIQHCJOMKG-DLBZAZTESA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001733888808 1186487575 /nfs/dbraw/zinc/48/75/75/1186487575.db2.gz IXHAJBCHCZUTNH-HUUCEWRRSA-N 2 0 307.438 0.436 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC#CCOC ZINC001734039971 1186528076 /nfs/dbraw/zinc/52/80/76/1186528076.db2.gz VDMXHFRHLPNFPZ-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001734178349 1186570468 /nfs/dbraw/zinc/57/04/68/1186570468.db2.gz DESLCOMYIJIMOW-DLBZAZTESA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001734252314 1186593374 /nfs/dbraw/zinc/59/33/74/1186593374.db2.gz GTCZAVZYIOEPJX-JKSUJKDBSA-N 2 0 309.454 0.853 20 30 DCEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001734363430 1186625114 /nfs/dbraw/zinc/62/51/14/1186625114.db2.gz YNYCEVMANAWSON-SJORKVTESA-N 2 0 315.417 0.199 20 30 DCEDRP C#CCC[NH2+][C@H](CO)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001734375804 1186632111 /nfs/dbraw/zinc/63/21/11/1186632111.db2.gz XOBIUSQDJRNLLW-ZDUSSCGKSA-N 2 0 300.362 0.346 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001752733606 1188436320 /nfs/dbraw/zinc/43/63/20/1188436320.db2.gz USAPJHKVLZEYNH-QLFBSQMISA-N 2 0 322.453 0.400 20 30 DCEDRP C=CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001752927094 1188463195 /nfs/dbraw/zinc/46/31/95/1188463195.db2.gz LKDUFGPHTFLSBT-HUUCEWRRSA-N 2 0 322.453 0.069 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001752959330 1188468284 /nfs/dbraw/zinc/46/82/84/1188468284.db2.gz QICYVHAZLFIDCC-LSDHHAIUSA-N 2 0 322.453 0.069 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001752962969 1188468783 /nfs/dbraw/zinc/46/87/83/1188468783.db2.gz JYTJVROMOFUHJX-KRWDZBQOSA-N 2 0 321.465 0.950 20 30 DCEDRP COCC#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001753501806 1188610964 /nfs/dbraw/zinc/61/09/64/1188610964.db2.gz XQIYZBWDCMMQLM-HNNXBMFYSA-N 2 0 307.438 0.749 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001754600219 1188887548 /nfs/dbraw/zinc/88/75/48/1188887548.db2.gz ZROBRARLUCNBCL-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001755479026 1189122768 /nfs/dbraw/zinc/12/27/68/1189122768.db2.gz ZDOJJSVGSGBPOV-KKUMJFAQSA-N 2 0 322.453 0.115 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001755587641 1189153377 /nfs/dbraw/zinc/15/33/77/1189153377.db2.gz IBLLOMYVVVLCGZ-BFHYXJOUSA-N 2 0 310.442 0.065 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]C[C@@H](F)CC)CC1 ZINC001755646904 1189174289 /nfs/dbraw/zinc/17/42/89/1189174289.db2.gz DBXAMDIFSAQDKK-LSDHHAIUSA-N 2 0 313.417 0.146 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001755865595 1189239467 /nfs/dbraw/zinc/23/94/67/1189239467.db2.gz JWUKQQMOONBMGQ-NFOMZHRRSA-N 2 0 324.469 0.596 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001047596711 751890404 /nfs/dbraw/zinc/89/04/04/751890404.db2.gz YAWJJEIGLYVOHL-PMPSAXMXSA-N 2 0 309.454 0.798 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](C)O)[C@@H]2CC)CC1 ZINC001087840005 749077865 /nfs/dbraw/zinc/07/78/65/749077865.db2.gz CVCBEYFFSJZLFT-BHYGNILZSA-N 2 0 321.465 0.682 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+]CC#CCOC)CC1 ZINC001203431373 749858159 /nfs/dbraw/zinc/85/81/59/749858159.db2.gz DUMANGKWBOYRKU-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083524810 750096439 /nfs/dbraw/zinc/09/64/39/750096439.db2.gz KZSGWHDLIGMWMF-XHSDSOJGSA-N 2 0 309.454 0.987 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083563286 750199867 /nfs/dbraw/zinc/19/98/67/750199867.db2.gz HSQQIIUSLOTPHQ-CABCVRRESA-N 2 0 305.422 0.047 20 30 DCEDRP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001077132187 750217980 /nfs/dbraw/zinc/21/79/80/750217980.db2.gz RJFQEXVCCAWNFG-ARFHVFGLSA-N 2 0 309.454 0.987 20 30 DCEDRP C=CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001046008923 750821587 /nfs/dbraw/zinc/82/15/87/750821587.db2.gz BSHUAFOYJAQLPH-DLBZAZTESA-N 2 0 320.481 0.875 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106282034 751084947 /nfs/dbraw/zinc/08/49/47/751084947.db2.gz QFMSWEWMNKGEQR-ZACQAIPSSA-N 2 0 323.481 0.907 20 30 DCEDRP CC#CCN1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001083733648 751214567 /nfs/dbraw/zinc/21/45/67/751214567.db2.gz XVFMCBGNJSXYLE-KGLIPLIRSA-N 2 0 305.378 0.139 20 30 DCEDRP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)C12CCC2 ZINC001203557945 752691311 /nfs/dbraw/zinc/69/13/11/752691311.db2.gz SKGJBXOTWZBZDQ-HZPDHXFCSA-N 2 0 319.449 0.747 20 30 DCEDRP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001045444255 753196907 /nfs/dbraw/zinc/19/69/07/753196907.db2.gz FVPOGSGAIWDWQT-HOTGVXAUSA-N 2 0 319.449 0.844 20 30 DCEDRP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046501017 753752464 /nfs/dbraw/zinc/75/24/64/753752464.db2.gz HHIGPMKAGDIDQR-AUCMRZJMSA-N 2 0 317.433 0.454 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046501018 753753107 /nfs/dbraw/zinc/75/31/07/753753107.db2.gz HHIGPMKAGDIDQR-CQDXFGNVSA-N 2 0 317.433 0.454 20 30 DCEDRP C#CCC[N@@H+](CCO)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001098466621 762299818 /nfs/dbraw/zinc/29/98/18/762299818.db2.gz OTSLCYVUBQGILV-UHFFFAOYSA-N 2 0 321.465 0.637 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001090260640 754821596 /nfs/dbraw/zinc/82/15/96/754821596.db2.gz IVHWHFOYJLBUJY-CVEARBPZSA-N 2 0 321.465 0.826 20 30 DCEDRP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833484 754967853 /nfs/dbraw/zinc/96/78/53/754967853.db2.gz PLGBNDIALVFHFD-TWMKSMIVSA-N 2 0 319.449 0.816 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC#C)C2)CC1 ZINC001072099176 762355867 /nfs/dbraw/zinc/35/58/67/762355867.db2.gz NDVKZLCQTIKLHA-NVXWUHKLSA-N 2 0 301.434 0.934 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](C)O)CC1 ZINC001096608281 755459422 /nfs/dbraw/zinc/45/94/22/755459422.db2.gz UMHWMOCFXOYSEW-ORQFMDKSSA-N 2 0 319.449 0.434 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC001090355717 755666041 /nfs/dbraw/zinc/66/60/41/755666041.db2.gz RHXLGNFZTUYOIO-HZPDHXFCSA-N 2 0 319.449 0.437 20 30 DCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717388 755977592 /nfs/dbraw/zinc/97/75/92/755977592.db2.gz GEDIBTJBXQPAID-GDBMZVCRSA-N 2 0 317.437 0.518 20 30 DCEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080164640 756118663 /nfs/dbraw/zinc/11/86/63/756118663.db2.gz LAAZMLOARWJRPR-QVCPJDEESA-N 2 0 305.422 0.472 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653657 757214543 /nfs/dbraw/zinc/21/45/43/757214543.db2.gz WQAXUZOSGZQLHV-RJZXRHAOSA-N 2 0 305.422 0.472 20 30 DCEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001084351447 757798603 /nfs/dbraw/zinc/79/86/03/757798603.db2.gz OBBAYELHEHODEN-GDBMZVCRSA-N 2 0 317.437 0.777 20 30 DCEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001085094185 758206435 /nfs/dbraw/zinc/20/64/35/758206435.db2.gz FTJLDNCXQIVYMX-ZACQAIPSSA-N 2 0 319.449 0.511 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@H](C[NH2+]CC3CC3)C2)CC1 ZINC001051944393 759052441 /nfs/dbraw/zinc/05/24/41/759052441.db2.gz XAXHKIYAOVRQCK-QGZVFWFLSA-N 2 0 319.449 0.559 20 30 DCEDRP C=CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117600 759191164 /nfs/dbraw/zinc/19/11/64/759191164.db2.gz VAFIZHNFYVZKCC-IAGOWNOFSA-N 2 0 320.481 0.733 20 30 DCEDRP C#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001098408406 759731989 /nfs/dbraw/zinc/73/19/89/759731989.db2.gz TXYKYXSBJRTDSC-INIZCTEOSA-N 2 0 307.438 0.389 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)CCCC[NH+](C)C)C1=O ZINC001148360391 767972432 /nfs/dbraw/zinc/97/24/32/767972432.db2.gz SIELIJNBNISUQA-CQSZACIVSA-N 2 0 310.442 0.211 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001070207600 761136531 /nfs/dbraw/zinc/13/65/31/761136531.db2.gz DYUTWTINFKNVOH-KGLIPLIRSA-N 2 0 318.425 0.290 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001123656356 768014555 /nfs/dbraw/zinc/01/45/55/768014555.db2.gz ROUNUGJPKKHCPY-ZBFHGGJFSA-N 2 0 323.485 0.570 20 30 DCEDRP C#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001070400526 761213285 /nfs/dbraw/zinc/21/32/85/761213285.db2.gz ZZECDKVDFHPQQN-UKRRQHHQSA-N 2 0 315.421 0.543 20 30 DCEDRP C=CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001070435231 761236568 /nfs/dbraw/zinc/23/65/68/761236568.db2.gz AFEPOKCUCDYEQD-KBPBESRZSA-N 2 0 317.437 0.953 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001123694271 768044417 /nfs/dbraw/zinc/04/44/17/768044417.db2.gz JCBPQDGGQBUXDC-GDBMZVCRSA-N 2 0 321.469 0.018 20 30 DCEDRP C=CCOCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131767 761517817 /nfs/dbraw/zinc/51/78/17/761517817.db2.gz ILDRZEKDAKSOGL-CABCVRRESA-N 2 0 313.442 0.081 20 30 DCEDRP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)COCC[NH+](C)C ZINC001099310884 762862113 /nfs/dbraw/zinc/86/21/13/762862113.db2.gz VDFUYMSIUUEAJT-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC#CCOC)C[C@H]32)CC[N@@H+]1C ZINC001114304322 762928442 /nfs/dbraw/zinc/92/84/42/762928442.db2.gz OTCORKMOZBBOGX-FIDHJVLJSA-N 2 0 319.449 0.413 20 30 DCEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685428 762987946 /nfs/dbraw/zinc/98/79/46/762987946.db2.gz RLXHRVXMSBKHQV-KFWWJZLASA-N 2 0 318.425 0.290 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130192074 763169834 /nfs/dbraw/zinc/16/98/34/763169834.db2.gz GCUOIFGXMMAOPB-KGLIPLIRSA-N 2 0 308.426 0.011 20 30 DCEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099972463 763177781 /nfs/dbraw/zinc/17/77/81/763177781.db2.gz WYLXALVJOYOZGO-CABCVRRESA-N 2 0 309.454 0.846 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CCC[NH+](C)C)C1 ZINC001130412459 763291437 /nfs/dbraw/zinc/29/14/37/763291437.db2.gz RWFUMEFSLMXSOW-CQSZACIVSA-N 2 0 317.437 0.790 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001100405901 763556291 /nfs/dbraw/zinc/55/62/91/763556291.db2.gz RGYUGGYYYHDJGO-UHFFFAOYSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001100458897 763589593 /nfs/dbraw/zinc/58/95/93/763589593.db2.gz LNLKHJLQRCMWHA-UHFFFAOYSA-N 2 0 324.469 0.503 20 30 DCEDRP C=C(Cl)C[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100867418 763833005 /nfs/dbraw/zinc/83/30/05/763833005.db2.gz UMEHQPHSTFVYAV-UHFFFAOYSA-N 2 0 303.834 0.802 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001100872795 763835218 /nfs/dbraw/zinc/83/52/18/763835218.db2.gz JYVXNSDYJJCBQX-QQFBHYJXSA-N 2 0 307.438 0.462 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001101037751 763932560 /nfs/dbraw/zinc/93/25/60/763932560.db2.gz VUBZERSCFDQQTF-NFOMZHRRSA-N 2 0 324.469 0.502 20 30 DCEDRP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCC[NH+](C)C)C[C@H](C)O2 ZINC001131682653 763934992 /nfs/dbraw/zinc/93/49/92/763934992.db2.gz RHLQAZTVWURTHF-DOTOQJQBSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815585 764345918 /nfs/dbraw/zinc/34/59/18/764345918.db2.gz LTSWWBIGAKGHSU-OAGGEKHMSA-N 2 0 309.454 0.967 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102515124 764677303 /nfs/dbraw/zinc/67/73/03/764677303.db2.gz FMEZYELACKDUOY-HZPDHXFCSA-N 2 0 319.449 0.416 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111857932 765407847 /nfs/dbraw/zinc/40/78/47/765407847.db2.gz GBHSMBNBQZSCSV-WMZOPIPTSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135390244 765920324 /nfs/dbraw/zinc/92/03/24/765920324.db2.gz IWINVGQAIVGSHU-ZIAGYGMSSA-N 2 0 324.469 0.503 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090610921 766373348 /nfs/dbraw/zinc/37/33/48/766373348.db2.gz WTKXODCAMGFVHG-CVEARBPZSA-N 2 0 307.438 0.293 20 30 DCEDRP C=CC[C@]1(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CCC[NH2+]1 ZINC001119301524 766629641 /nfs/dbraw/zinc/62/96/41/766629641.db2.gz BGULYFMHOCXWHE-MRXNPFEDSA-N 2 0 316.409 0.523 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC)C[C@H]2O)CC1 ZINC001090830879 766648914 /nfs/dbraw/zinc/64/89/14/766648914.db2.gz QDYQWSVSYNJVDP-JKSUJKDBSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCO)CC1 ZINC001146609395 767488254 /nfs/dbraw/zinc/48/82/54/767488254.db2.gz FCEOMOKXIXSKCF-GJZGRUSLSA-N 2 0 309.454 0.587 20 30 DCEDRP C=CCNC(=O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001178321276 770719405 /nfs/dbraw/zinc/71/94/05/770719405.db2.gz AWRGNHIHTYVYPG-UHFFFAOYSA-N 2 0 302.422 0.830 20 30 DCEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001179371140 771000119 /nfs/dbraw/zinc/00/01/19/771000119.db2.gz KDJSOCAEXSPHPX-MRXNPFEDSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001179983134 771043233 /nfs/dbraw/zinc/04/32/33/771043233.db2.gz MCRQFNDSLKFUKT-KKUMJFAQSA-N 2 0 322.453 0.045 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCO)[C@@H]2C)CC1 ZINC001180203924 771073807 /nfs/dbraw/zinc/07/38/07/771073807.db2.gz BWIAKSBRILXJCJ-HOCLYGCPSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]C[C@@H](C)O)CC1 ZINC001180360828 771105052 /nfs/dbraw/zinc/10/50/52/771105052.db2.gz MWHUOZQDKVHZGO-MRXNPFEDSA-N 2 0 323.481 0.979 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)C[N@@H+](C)C(C)C ZINC001180369451 771114248 /nfs/dbraw/zinc/11/42/48/771114248.db2.gz GSBOISFPBNMXSI-UHFFFAOYSA-N 2 0 324.469 0.342 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001183040601 771596144 /nfs/dbraw/zinc/59/61/44/771596144.db2.gz UNUGRFDFZIUSDJ-HUUCEWRRSA-N 2 0 322.453 0.354 20 30 DCEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCC([NH3+])(CC(=O)OCC)CC1 ZINC001183092240 771601344 /nfs/dbraw/zinc/60/13/44/771601344.db2.gz VVNFUKSSPLDQGG-UHFFFAOYSA-N 2 0 323.437 0.912 20 30 DCEDRP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001160196438 772006625 /nfs/dbraw/zinc/00/66/25/772006625.db2.gz SFHLUHJYMQZYGH-IRXDYDNUSA-N 2 0 317.433 0.621 20 30 DCEDRP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160644167 772084404 /nfs/dbraw/zinc/08/44/04/772084404.db2.gz VSRUMLNCJGSEBX-IMJJTQAJSA-N 2 0 314.389 0.047 20 30 DCEDRP C=CCOC(=O)N[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161537433 772240971 /nfs/dbraw/zinc/24/09/71/772240971.db2.gz YDXSYULBYZMSBT-STQMWFEESA-N 2 0 312.414 0.346 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)(COC)CC1 ZINC001162481792 772378668 /nfs/dbraw/zinc/37/86/68/772378668.db2.gz FTWCOMRKJVZNHD-HOTGVXAUSA-N 2 0 321.465 0.662 20 30 DCEDRP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190148859 772590307 /nfs/dbraw/zinc/59/03/07/772590307.db2.gz KRBHIWQFTMHQQB-ARFHVFGLSA-N 2 0 307.438 0.673 20 30 DCEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001191430188 772767460 /nfs/dbraw/zinc/76/74/60/772767460.db2.gz CCJVWPJZHMVKSM-BNQMIIOLSA-N 2 0 317.433 0.406 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001166890673 772873957 /nfs/dbraw/zinc/87/39/57/772873957.db2.gz PFUUVOUICRNAAL-UHFFFAOYSA-N 2 0 324.469 0.507 20 30 DCEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)COCC[NH+](C)C)C12CCC2 ZINC001203615763 772916070 /nfs/dbraw/zinc/91/60/70/772916070.db2.gz QZXLWZUKCFQROE-GJZGRUSLSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001193641978 773093599 /nfs/dbraw/zinc/09/35/99/773093599.db2.gz JZAGVIUHQWXJOB-LSDHHAIUSA-N 2 0 324.469 0.552 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207550985 773235659 /nfs/dbraw/zinc/23/56/59/773235659.db2.gz PWBXJKGWKZVMPK-FVQBIDKESA-N 2 0 307.438 0.413 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001209483960 773608851 /nfs/dbraw/zinc/60/88/51/773608851.db2.gz CPFINWUVBAMURT-GDBMZVCRSA-N 2 0 324.469 0.455 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001210284626 773694616 /nfs/dbraw/zinc/69/46/16/773694616.db2.gz WHZUEGUCNLLQCD-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCOCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001197158921 773707415 /nfs/dbraw/zinc/70/74/15/773707415.db2.gz YQGMWGFMJMACON-CVEARBPZSA-N 2 0 309.454 0.921 20 30 DCEDRP C=CCOCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001197158924 773707619 /nfs/dbraw/zinc/70/76/19/773707619.db2.gz YQGMWGFMJMACON-HOTGVXAUSA-N 2 0 309.454 0.921 20 30 DCEDRP C#CCN1C[C@@H](O)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001197690718 773784667 /nfs/dbraw/zinc/78/46/67/773784667.db2.gz XGTKTQSWLJWJEV-HZPDHXFCSA-N 2 0 309.454 0.683 20 30 DCEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncn2C)C1 ZINC001197775226 773797885 /nfs/dbraw/zinc/79/78/85/773797885.db2.gz FVDJJHOPPNMGED-NWANDNLSSA-N 2 0 306.410 0.479 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453577 774073505 /nfs/dbraw/zinc/07/35/05/774073505.db2.gz JEMHMJNDWMTDGB-GDBMZVCRSA-N 2 0 307.438 0.415 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001215990247 774097172 /nfs/dbraw/zinc/09/71/72/774097172.db2.gz YDLBEVCYYQDCAM-RBSFLKMASA-N 2 0 324.469 0.455 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@H]1Oc1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC001218199123 774215672 /nfs/dbraw/zinc/21/56/72/774215672.db2.gz AKXWFDHNTANFQD-UKRRQHHQSA-N 2 0 300.362 0.222 20 30 DCEDRP N#Cc1c(F)ccc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1F ZINC001218913406 774325036 /nfs/dbraw/zinc/32/50/36/774325036.db2.gz LVUODKMKHIZBTN-VIFPVBQESA-N 2 0 300.334 0.794 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200529689 774362649 /nfs/dbraw/zinc/36/26/49/774362649.db2.gz XCOJEJRJHFZUPB-IRXDYDNUSA-N 2 0 319.449 0.559 20 30 DCEDRP Cc1cc(C#N)c(F)cc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219112614 774374944 /nfs/dbraw/zinc/37/49/44/774374944.db2.gz OETTXKBJAKBFGH-AWEZNQCLSA-N 2 0 319.384 0.695 20 30 DCEDRP N#Cc1ccc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c2cccnc12 ZINC001219465171 774504056 /nfs/dbraw/zinc/50/40/56/774504056.db2.gz MJSBZJQJRDYURW-CYBMUJFWSA-N 2 0 307.357 0.854 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CCCO1 ZINC001201924761 774571521 /nfs/dbraw/zinc/57/15/21/774571521.db2.gz UCYOEGODOQWRAT-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCCO[C@@H](C[NH2+]CCC)C2)CC1 ZINC001202141070 774605871 /nfs/dbraw/zinc/60/58/71/774605871.db2.gz KMRRKJAFUKTMLB-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221072964 774989918 /nfs/dbraw/zinc/98/99/18/774989918.db2.gz AAMCYTWITAEOKQ-CVEARBPZSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001222641401 775405945 /nfs/dbraw/zinc/40/59/45/775405945.db2.gz LARBXQILCHVJJR-HNNXBMFYSA-N 2 0 322.453 0.211 20 30 DCEDRP CC#CC[NH+]1CCC(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001225448451 775680260 /nfs/dbraw/zinc/68/02/60/775680260.db2.gz LBDPFKFYPMRPKX-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001228238554 776059240 /nfs/dbraw/zinc/05/92/40/776059240.db2.gz FRKLNFDFDSMYQT-HZPDHXFCSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001114768998 776110874 /nfs/dbraw/zinc/11/08/74/776110874.db2.gz ATPZZGMTQDYTQA-ZSHCYNCHSA-N 2 0 307.438 0.577 20 30 DCEDRP COCC#CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001229185902 776168058 /nfs/dbraw/zinc/16/80/58/776168058.db2.gz QEHBYRBQKNWEIM-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001114852996 776252936 /nfs/dbraw/zinc/25/29/36/776252936.db2.gz WMIFPMUDIWMDDZ-AIANPOQGSA-N 2 0 305.422 0.167 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001230262601 776270590 /nfs/dbraw/zinc/27/05/90/776270590.db2.gz JJGYJOAETPIEFN-KGLIPLIRSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041288696 777181402 /nfs/dbraw/zinc/18/14/02/777181402.db2.gz ZPHUWAHGBJPLFM-AEFFLSMTSA-N 2 0 301.434 0.886 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001317854267 945210383 /nfs/dbraw/zinc/21/03/83/945210383.db2.gz OOKRXZFHNXCYKW-HUUCEWRRSA-N 2 0 324.469 0.409 20 30 DCEDRP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001317949047 945222193 /nfs/dbraw/zinc/22/21/93/945222193.db2.gz CLZOMMJFRHRUBG-OAHLLOKOSA-N 2 0 307.438 0.865 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266533613 939154924 /nfs/dbraw/zinc/15/49/24/939154924.db2.gz MYEFDNMKOZHVKU-UONOGXRCSA-N 2 0 310.442 0.067 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266701861 939215003 /nfs/dbraw/zinc/21/50/03/939215003.db2.gz HKSIVDHXAAGDLJ-HIFRSBDPSA-N 2 0 322.453 0.067 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001266751149 939230004 /nfs/dbraw/zinc/23/00/04/939230004.db2.gz CGTZECOVFOGJDT-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCNC(=O)[C@H](C)[N@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001493278902 939305786 /nfs/dbraw/zinc/30/57/86/939305786.db2.gz FPIAPLLGAQJPRD-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)CCCn2ccnc2)C1 ZINC001267310329 939422155 /nfs/dbraw/zinc/42/21/55/939422155.db2.gz VUCNXPXWCCAFLD-INIZCTEOSA-N 2 0 318.421 0.751 20 30 DCEDRP C=C(Cl)C[NH2+]CCN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001267439559 939456895 /nfs/dbraw/zinc/45/68/95/939456895.db2.gz MZUMJXKZQIAOKE-UHFFFAOYSA-N 2 0 313.833 0.859 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC([C@@H](C)[NH2+]CCO)CC2)CC1 ZINC001481343017 939754817 /nfs/dbraw/zinc/75/48/17/939754817.db2.gz LBIOCZMFIAVIKK-OAHLLOKOSA-N 2 0 321.465 0.541 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001278405488 945283484 /nfs/dbraw/zinc/28/34/84/945283484.db2.gz WSAMTZGUCYNKRE-HOCLYGCPSA-N 2 0 317.437 0.661 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001482024714 940209138 /nfs/dbraw/zinc/20/91/38/940209138.db2.gz IOJQEEWAXWXCCO-SHTZXODSSA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001268803361 940366518 /nfs/dbraw/zinc/36/65/18/940366518.db2.gz ZXOMVDXIVVPRQC-CQSZACIVSA-N 2 0 310.442 0.211 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CCCCOC)CC1 ZINC001269352769 940691470 /nfs/dbraw/zinc/69/14/70/940691470.db2.gz WBZDAZTZQUAFOH-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CC#CCOC ZINC001269407769 940700935 /nfs/dbraw/zinc/70/09/35/940700935.db2.gz HXGMZLSKZRVOGI-OWCLPIDISA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001284737068 940807086 /nfs/dbraw/zinc/80/70/86/940807086.db2.gz KHRCKQVJYYCUJE-RYUDHWBXSA-N 2 0 305.344 0.940 20 30 DCEDRP C#CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCOC)CC1 ZINC001270358372 940887106 /nfs/dbraw/zinc/88/71/06/940887106.db2.gz HHFRQFSKEKDDHI-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP CC#CC[NH2+]C[C@@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001270542823 940920070 /nfs/dbraw/zinc/92/00/70/940920070.db2.gz HJMQNGLIHDCIBC-CQSZACIVSA-N 2 0 305.426 0.424 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCO)C1 ZINC001270737483 940978364 /nfs/dbraw/zinc/97/83/64/940978364.db2.gz NLEAUPJGRIVVJH-DOTOQJQBSA-N 2 0 307.438 0.295 20 30 DCEDRP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)CCn2ccnc2)C1 ZINC001270768077 940985538 /nfs/dbraw/zinc/98/55/38/940985538.db2.gz BVHUUPNKXZANGP-QGZVFWFLSA-N 2 0 318.421 0.751 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCOCC1 ZINC001271044578 941247222 /nfs/dbraw/zinc/24/72/22/941247222.db2.gz SLDBFOWKDNZCER-UHFFFAOYSA-N 2 0 307.438 0.749 20 30 DCEDRP C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001271201600 941320600 /nfs/dbraw/zinc/32/06/00/941320600.db2.gz SYKQWKZNVZGWLX-WBVHZDCISA-N 2 0 309.454 0.990 20 30 DCEDRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]2C1)[NH+](C)C ZINC001271892654 941473750 /nfs/dbraw/zinc/47/37/50/941473750.db2.gz UZRQHZROYLCHCN-XHSDSOJGSA-N 2 0 307.438 0.367 20 30 DCEDRP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001271964831 941494258 /nfs/dbraw/zinc/49/42/58/941494258.db2.gz GGPCXFGUGSKDQE-RHSMWYFYSA-N 2 0 318.421 0.575 20 30 DCEDRP CC[C@H](C(=O)N1CCC[C@H]2C[N@H+](CC#CCOC)C[C@H]21)[NH+](C)C ZINC001272078403 941594176 /nfs/dbraw/zinc/59/41/76/941594176.db2.gz IBFICMRAIROYHV-GVDBMIGSSA-N 2 0 321.465 0.899 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001482675544 941619319 /nfs/dbraw/zinc/61/93/19/941619319.db2.gz DPWVGKNQNFZRJU-LSDHHAIUSA-N 2 0 317.437 0.566 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001482764951 941660821 /nfs/dbraw/zinc/66/08/21/941660821.db2.gz ZMSQRHHJMUEUMS-MRXNPFEDSA-N 2 0 321.396 0.196 20 30 DCEDRP COCC#CC[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001482886212 941699059 /nfs/dbraw/zinc/69/90/59/941699059.db2.gz SIUUKMSHFGRNPQ-INIZCTEOSA-N 2 0 309.454 0.853 20 30 DCEDRP C=C(Cl)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001272195488 941791229 /nfs/dbraw/zinc/79/12/29/941791229.db2.gz FXDZGTSPIVSZCT-ZDUSSCGKSA-N 2 0 303.834 0.634 20 30 DCEDRP C#CCC[NH2+]C1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001484423771 943367269 /nfs/dbraw/zinc/36/72/69/943367269.db2.gz UESLDHSFPARLFO-HNNXBMFYSA-N 2 0 306.454 0.132 20 30 DCEDRP C=CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001484436102 943381239 /nfs/dbraw/zinc/38/12/39/943381239.db2.gz UHEYNCDKXPXPGX-WBVHZDCISA-N 2 0 307.438 0.457 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001484690397 943511962 /nfs/dbraw/zinc/51/19/62/943511962.db2.gz FLRZSGWICAXUGG-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001484887162 943613071 /nfs/dbraw/zinc/61/30/71/943613071.db2.gz FVRPHPNKRCFUMN-HOCLYGCPSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001491456862 944010419 /nfs/dbraw/zinc/01/04/19/944010419.db2.gz PLMCEVQMJKDXFJ-CQSZACIVSA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001485580281 944013358 /nfs/dbraw/zinc/01/33/58/944013358.db2.gz FMKYWOJTWYIVRY-HUUCEWRRSA-N 2 0 309.454 0.967 20 30 DCEDRP CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001485641018 944059752 /nfs/dbraw/zinc/05/97/52/944059752.db2.gz NPTZTLOVLJCDKV-HZPDHXFCSA-N 2 0 319.449 0.844 20 30 DCEDRP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001485699923 944093676 /nfs/dbraw/zinc/09/36/76/944093676.db2.gz DHGBLXPHQCOQEO-SHTZXODSSA-N 2 0 307.438 0.605 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001485802566 944143150 /nfs/dbraw/zinc/14/31/50/944143150.db2.gz AHVSBHLQJVTAAN-HOTGVXAUSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001486130399 944584724 /nfs/dbraw/zinc/58/47/24/944584724.db2.gz RFMHKCHSFGYQPN-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[N@H+](C)CCC=C)CC1 ZINC001486359551 944821405 /nfs/dbraw/zinc/82/14/05/944821405.db2.gz YRXLNTZPCLMJDO-QGZVFWFLSA-N 2 0 321.465 0.659 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001486465912 944903090 /nfs/dbraw/zinc/90/30/90/944903090.db2.gz UXGLJVOCLJTPFJ-UHFFFAOYSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+][C@@H](CC)C(N)=O)CC1 ZINC001317415313 944960239 /nfs/dbraw/zinc/96/02/39/944960239.db2.gz JNSISJACTFNAHX-ZFWWWQNUSA-N 2 0 322.453 0.080 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001277819711 944991682 /nfs/dbraw/zinc/99/16/82/944991682.db2.gz QAPWMTLLLKIJOV-HOTGVXAUSA-N 2 0 309.454 0.946 20 30 DCEDRP N#CCC1CN(C(=O)C23CC([NH2+]CC4CC[NH2+]CC4)(C2)C3)C1 ZINC001277822465 944994677 /nfs/dbraw/zinc/99/46/77/944994677.db2.gz TZRJAFSOULQUCC-UHFFFAOYSA-N 2 0 302.422 0.870 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001318525526 945394920 /nfs/dbraw/zinc/39/49/20/945394920.db2.gz XQXSUMWCCHAQRZ-GJZGRUSLSA-N 2 0 322.453 0.093 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C)C1=O ZINC001319525195 945610997 /nfs/dbraw/zinc/61/09/97/945610997.db2.gz MJVQEMVBVOTCLY-KGLIPLIRSA-N 2 0 310.442 0.162 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CCC[C@@H](C)O)CC1 ZINC001319590344 945626447 /nfs/dbraw/zinc/62/64/47/945626447.db2.gz QZWYDPGPIUDBPW-JKSUJKDBSA-N 2 0 323.481 0.929 20 30 DCEDRP COCC#CCN(C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001320084357 945734562 /nfs/dbraw/zinc/73/45/62/945734562.db2.gz IDURWKXUCDBTII-HZPDHXFCSA-N 2 0 309.454 0.899 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001320929139 946074577 /nfs/dbraw/zinc/07/45/77/946074577.db2.gz PMSSCOTYGBJTPT-HNNXBMFYSA-N 2 0 322.453 0.048 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCOCC1 ZINC001278714764 946110096 /nfs/dbraw/zinc/11/00/96/946110096.db2.gz DCOPEQOHUMCIEG-UHFFFAOYSA-N 2 0 319.449 0.893 20 30 DCEDRP C=CCC[N@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001278787935 946396326 /nfs/dbraw/zinc/39/63/26/946396326.db2.gz XYHKUENSPABYRW-SFHVURJKSA-N 2 0 321.465 0.992 20 30 DCEDRP C#CCOCCOCC[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256685145 946652889 /nfs/dbraw/zinc/65/28/89/946652889.db2.gz YLMVFNVNFBKDMJ-UHFFFAOYSA-N 2 0 310.438 0.886 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001322831656 946825640 /nfs/dbraw/zinc/82/56/40/946825640.db2.gz MKJAPQHGCFVWAE-GJZGRUSLSA-N 2 0 322.453 0.163 20 30 DCEDRP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001324826210 947543517 /nfs/dbraw/zinc/54/35/17/947543517.db2.gz NKFPPDWKDSVURZ-DOTOQJQBSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001179420086 947847134 /nfs/dbraw/zinc/84/71/34/947847134.db2.gz CQGARRYINAODCF-KBPBESRZSA-N 2 0 322.453 0.209 20 30 DCEDRP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC#CCOC)C1)[NH+](C)C ZINC001326362092 948139698 /nfs/dbraw/zinc/13/96/98/948139698.db2.gz ADALNDQNYMKFMM-HOTGVXAUSA-N 2 0 309.454 0.805 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001263879278 948793779 /nfs/dbraw/zinc/79/37/79/948793779.db2.gz UUEQMRMJWSUILT-BZUAXINKSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001264079988 948872655 /nfs/dbraw/zinc/87/26/55/948872655.db2.gz DCTMMHXPXUTXOI-HZPDHXFCSA-N 2 0 307.438 0.247 20 30 DCEDRP C=CCC[NH+]1CCC(CO)(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001328541399 948951734 /nfs/dbraw/zinc/95/17/34/948951734.db2.gz FZCINSISRZTJOS-HNNXBMFYSA-N 2 0 309.454 0.847 20 30 DCEDRP COCC#CC[NH+]1CCC([C@@H](C)NC(=O)C[NH+]2CCCC2)CC1 ZINC001279104385 948960079 /nfs/dbraw/zinc/96/00/79/948960079.db2.gz CMYLWCMWBYMHBS-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1OCC ZINC001264532489 948997779 /nfs/dbraw/zinc/99/77/79/948997779.db2.gz SIRSBIXKHGTQQI-HZPDHXFCSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCNC(=O)C[N@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001265119645 949336621 /nfs/dbraw/zinc/33/66/21/949336621.db2.gz LVUQFGNKQGZRNI-HNNXBMFYSA-N 2 0 322.453 0.048 20 30 DCEDRP COCC#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001329256451 949466565 /nfs/dbraw/zinc/46/65/65/949466565.db2.gz FPBKHMYANJAUDE-GTPINHCMSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+](C)CCOCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001489212280 949605400 /nfs/dbraw/zinc/60/54/00/949605400.db2.gz PHWGLKVETLVAQA-INIZCTEOSA-N 2 0 309.454 0.899 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001265725756 949902500 /nfs/dbraw/zinc/90/25/00/949902500.db2.gz JMMAMZMMVISLPG-VQJWOFKYSA-N 2 0 322.453 0.064 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)C[C@@H](C)OC)CC1 ZINC001490281965 950495421 /nfs/dbraw/zinc/49/54/21/950495421.db2.gz ORFKXMGWASYUHW-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)C[C@H](C)OC)CC1 ZINC001490281963 950496046 /nfs/dbraw/zinc/49/60/46/950496046.db2.gz ORFKXMGWASYUHW-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCC[NH+]1CCN(CCCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001490474365 950717002 /nfs/dbraw/zinc/71/70/02/950717002.db2.gz BCCMKJXZDRMYEM-UHFFFAOYSA-N 2 0 318.465 0.229 20 30 DCEDRP COCC#CCN1CC[C@H]1CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001316604924 951024722 /nfs/dbraw/zinc/02/47/22/951024722.db2.gz MWDJOUYEOQQSGS-CVEARBPZSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)NCCC ZINC001274791650 951839247 /nfs/dbraw/zinc/83/92/47/951839247.db2.gz MDEXYIFZKQJIMM-KFWWJZLASA-N 2 0 322.453 0.093 20 30 DCEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001343682770 953364361 /nfs/dbraw/zinc/36/43/61/953364361.db2.gz FZTOWBAXIMPSEQ-OFQRWUPVSA-N 2 0 311.426 0.012 20 30 DCEDRP C#CCNC(=O)CN(C)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001282403902 953569273 /nfs/dbraw/zinc/56/92/73/953569273.db2.gz YOJRFJBWDJDEMI-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001282872114 953711473 /nfs/dbraw/zinc/71/14/73/953711473.db2.gz PQIHACSPRUMWFY-NXOAAHMSSA-N 2 0 319.449 0.415 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001491624372 958960180 /nfs/dbraw/zinc/96/01/80/958960180.db2.gz XQJHIHIBNDHFDU-HNNXBMFYSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]C[C@@H]2CCOC2)CC1 ZINC001491682049 959042387 /nfs/dbraw/zinc/04/23/87/959042387.db2.gz IGHUXNIESQPPSL-CABCVRRESA-N 2 0 307.438 0.462 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001313439583 960305641 /nfs/dbraw/zinc/30/56/41/960305641.db2.gz NRNWHNBGCOMAKN-HNNXBMFYSA-N 2 0 310.442 0.304 20 30 DCEDRP C=C(Br)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379599383 963246039 /nfs/dbraw/zinc/24/60/39/963246039.db2.gz MAHGXXBHTOSCNR-QWRGUYRKSA-N 2 0 304.232 0.941 20 30 DCEDRP CN(C[C@H](O)C[NH2+]Cc1ccc(C#N)cc1)C(=O)CC[NH+](C)C ZINC001369485697 965059961 /nfs/dbraw/zinc/05/99/61/965059961.db2.gz PKNDGXBKSNPDES-MRXNPFEDSA-N 2 0 318.421 0.419 20 30 DCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1C#N ZINC001392391686 991862420 /nfs/dbraw/zinc/86/24/20/991862420.db2.gz MLMRJVHOSVVZAN-JKSUJKDBSA-N 2 0 316.405 0.219 20 30 DCEDRP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001507036930 1015908855 /nfs/dbraw/zinc/90/88/55/1015908855.db2.gz NKOKWIXKYFBIRP-WBVHZDCISA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001507072616 1015954362 /nfs/dbraw/zinc/95/43/62/1015954362.db2.gz VZKJOAZUMYBAGL-GJZGRUSLSA-N 2 0 322.453 0.045 20 30 DCEDRP C=C(Cl)CN[C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001403665290 1002306163 /nfs/dbraw/zinc/30/61/63/1002306163.db2.gz BYFJYXFLLLXLQR-OLZOCXBDSA-N 2 0 303.834 0.680 20 30 DCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC001406246494 1003521950 /nfs/dbraw/zinc/52/19/50/1003521950.db2.gz AWJNSSYIIFTWII-HZPDHXFCSA-N 2 0 316.405 0.219 20 30 DCEDRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001406289276 1003574688 /nfs/dbraw/zinc/57/46/88/1003574688.db2.gz MRMNUJAGMGXJIO-HZPDHXFCSA-N 2 0 316.405 0.077 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001441740440 1008484049 /nfs/dbraw/zinc/48/40/49/1008484049.db2.gz BEPDKJJHTROQJR-AWEZNQCLSA-N 2 0 322.384 0.216 20 30 DCEDRP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001422013842 1009398866 /nfs/dbraw/zinc/39/88/66/1009398866.db2.gz PNUYKKCLJPLLIU-ZDUSSCGKSA-N 2 0 315.845 0.946 20 30 DCEDRP COCC#CCN1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001506656273 1017440124 /nfs/dbraw/zinc/44/01/24/1017440124.db2.gz RLMSOZUANWPBDA-CABCVRRESA-N 2 0 307.438 0.415 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001479312584 1017491996 /nfs/dbraw/zinc/49/19/96/1017491996.db2.gz JNZALESVDOJGPL-ZNMIVQPWSA-N 2 0 322.453 0.257 20 30 DCEDRP C#CCNCc1nc2c(s1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001479741961 1017685095 /nfs/dbraw/zinc/68/50/95/1017685095.db2.gz OVFGPNLSTKTNAB-GFCCVEGCSA-N 2 0 318.446 0.702 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCOCC)C2)CC1 ZINC001479971532 1018075819 /nfs/dbraw/zinc/07/58/19/1018075819.db2.gz BXKFXSZKLHJJFQ-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]C[C@@H](C)OC)C2CC2)CC1 ZINC001480067227 1018178201 /nfs/dbraw/zinc/17/82/01/1018178201.db2.gz YHNINIIHATWYSX-RHSMWYFYSA-N 2 0 321.465 0.851 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001480269699 1018388638 /nfs/dbraw/zinc/38/86/38/1018388638.db2.gz NBGYWVWDENRVAV-MRXNPFEDSA-N 2 0 307.438 0.560 20 30 DCEDRP C#CC[NH2+]CCC1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001495433242 1018503817 /nfs/dbraw/zinc/50/38/17/1018503817.db2.gz UZNNKYYTQSKULQ-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001495480554 1018532085 /nfs/dbraw/zinc/53/20/85/1018532085.db2.gz XUMZDCULUCFQDU-BZUAXINKSA-N 2 0 307.438 0.605 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001495667350 1018638187 /nfs/dbraw/zinc/63/81/87/1018638187.db2.gz QJWMVXOGURQZFT-HZPDHXFCSA-N 2 0 309.454 0.851 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CN(C)CC#CCOC ZINC001498456922 1019135210 /nfs/dbraw/zinc/13/52/10/1019135210.db2.gz QOPMGJDFVBEBNT-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCC1 ZINC001501952959 1019584198 /nfs/dbraw/zinc/58/41/98/1019584198.db2.gz ZGCLRGGCATXDKV-MRXNPFEDSA-N 2 0 319.449 0.607 20 30 DCEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001502052775 1019661409 /nfs/dbraw/zinc/66/14/09/1019661409.db2.gz CBSOGLZMGMGFOO-JKSUJKDBSA-N 2 0 307.438 0.721 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)CCO1 ZINC001502056305 1019667072 /nfs/dbraw/zinc/66/70/72/1019667072.db2.gz URRMCYFNYFZQRL-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP C[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)C[NH+](C)C ZINC000291872867 533365118 /nfs/dbraw/zinc/36/51/18/533365118.db2.gz HNHPJRDRSJNYCJ-ZDUSSCGKSA-N 2 0 305.430 0.111 20 30 DCEDRP C#CCOc1ccccc1C[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000171764527 396124635 /nfs/dbraw/zinc/12/46/35/396124635.db2.gz YIOXBMTWVVIBCR-UHFFFAOYSA-N 2 0 315.417 0.952 20 30 DCEDRP N#Cc1ccc2ncc(C[NH2+]CC3CC[NH+](CCO)CC3)n2c1 ZINC000123666899 158232993 /nfs/dbraw/zinc/23/29/93/158232993.db2.gz HACDXSVEORDVLB-UHFFFAOYSA-N 2 0 313.405 1.000 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000343734769 415703582 /nfs/dbraw/zinc/70/35/82/415703582.db2.gz DXPSYLFGVIOXNR-UKRRQHHQSA-N 2 0 322.453 0.352 20 30 DCEDRP C[C@@H](C#N)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000347041343 416211124 /nfs/dbraw/zinc/21/11/24/416211124.db2.gz SPTVPOJFKNVEGT-AWEZNQCLSA-N 2 0 301.394 0.870 20 30 DCEDRP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424163073 416620327 /nfs/dbraw/zinc/62/03/27/416620327.db2.gz XHGAFSWFBCHPJY-HNNXBMFYSA-N 2 0 309.458 0.397 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000491742906 416622550 /nfs/dbraw/zinc/62/25/50/416622550.db2.gz HHBDJXRHKWUWJG-INIZCTEOSA-N 2 0 307.438 0.701 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642795910 417104403 /nfs/dbraw/zinc/10/44/03/417104403.db2.gz CJCUQPWVEDBRBT-OAHLLOKOSA-N 2 0 322.453 0.401 20 30 DCEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H]1COCC[NH2+]1)C(C)C ZINC000626937144 417177930 /nfs/dbraw/zinc/17/79/30/417177930.db2.gz OYJAPEVMXBUFIW-HOTGVXAUSA-N 2 0 324.469 0.973 20 30 DCEDRP C[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](C)[C@@H](CO)C2)C[C@H]1CO ZINC000621372443 417284163 /nfs/dbraw/zinc/28/41/63/417284163.db2.gz VVLWXLNEHLPWND-FZDBZEDMSA-N 2 0 308.466 0.890 20 30 DCEDRP CC#CC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645294737 417727202 /nfs/dbraw/zinc/72/72/02/417727202.db2.gz JSAUKCTXICZNQD-HUUCEWRRSA-N 2 0 322.453 0.228 20 30 DCEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N(C)Cc1cccn1C ZINC000261969783 277752786 /nfs/dbraw/zinc/75/27/86/277752786.db2.gz MMQOTPVZOAQJKF-HNNXBMFYSA-N 2 0 304.442 0.032 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001569950532 1159208645 /nfs/dbraw/zinc/20/86/45/1159208645.db2.gz KMGDYDJXYNRHNR-MRXNPFEDSA-N 2 0 309.454 0.685 20 30 DCEDRP CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329928402 336096523 /nfs/dbraw/zinc/09/65/23/336096523.db2.gz XWFVVRPXFHBSDA-CYBMUJFWSA-N 2 0 310.442 0.526 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000352903108 336375559 /nfs/dbraw/zinc/37/55/59/336375559.db2.gz YCVZBIVBWQZMTF-GJZGRUSLSA-N 2 0 324.469 0.733 20 30 DCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)C(C)C ZINC000419564701 337488882 /nfs/dbraw/zinc/48/88/82/337488882.db2.gz CREHNNSIIHMREI-LSDHHAIUSA-N 2 0 322.453 0.279 20 30 DCEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000424054916 337730852 /nfs/dbraw/zinc/73/08/52/337730852.db2.gz CHRZINZPCOZONJ-CYBMUJFWSA-N 2 0 302.382 0.451 20 30 DCEDRP C#CCNC(=O)CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000491304238 339857265 /nfs/dbraw/zinc/85/72/65/339857265.db2.gz FDXKYLQNLLQEJE-UHFFFAOYSA-N 2 0 307.438 0.560 20 30 DCEDRP C[C@@H]1C[C@H](NC(NCC(=O)N(C)C)=[NH+]C2CC2)C[N@@H+]1C1CC1 ZINC000262252614 533897612 /nfs/dbraw/zinc/89/76/12/533897612.db2.gz CFUYTMIDEQYASF-YPMHNXCESA-N 2 0 307.442 0.397 20 30 DCEDRP C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261671264 526377589 /nfs/dbraw/zinc/37/75/89/526377589.db2.gz BZXDBPTWSAEOPD-CABCVRRESA-N 2 0 320.441 0.463 20 30 DCEDRP C[NH+]=C(NC[C@H]1CCOC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000262805542 526377668 /nfs/dbraw/zinc/37/76/68/526377668.db2.gz SQWUENRDJIWCOH-OAHLLOKOSA-N 2 0 324.469 0.833 20 30 DCEDRP C[NH+]=C(NC[C@H]1CCCO1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000262471280 526377812 /nfs/dbraw/zinc/37/78/12/526377812.db2.gz JENRGMQNEQODTF-OAHLLOKOSA-N 2 0 324.469 0.975 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000171738734 526438951 /nfs/dbraw/zinc/43/89/51/526438951.db2.gz WKVPSXGBCBUJNN-OAHLLOKOSA-N 2 0 323.485 0.572 20 30 DCEDRP C=CC[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262330666 526956247 /nfs/dbraw/zinc/95/62/47/526956247.db2.gz UXCGNMXRKJHSBO-CQSZACIVSA-N 2 0 305.426 0.152 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCCF)C[C@H]32)CC1 ZINC000979085149 660658819 /nfs/dbraw/zinc/65/88/19/660658819.db2.gz FIRJMIRKMRHJEN-OSYLJGHBSA-N 2 0 321.440 0.985 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001028093520 661152871 /nfs/dbraw/zinc/15/28/71/661152871.db2.gz MRKGKZFVFUGWGC-HOTGVXAUSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC000981785271 661216516 /nfs/dbraw/zinc/21/65/16/661216516.db2.gz ZKHVPIGQVRSXRJ-HOTGVXAUSA-N 2 0 317.433 0.407 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001022196793 657536506 /nfs/dbraw/zinc/53/65/06/657536506.db2.gz UBNZKAGKZCKXSJ-IJEWVQPXSA-N 2 0 305.422 0.500 20 30 DCEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971968808 658104469 /nfs/dbraw/zinc/10/44/69/658104469.db2.gz HUVOYGXPKUBHHH-KRIMKBQASA-N 2 0 305.422 0.568 20 30 DCEDRP C=C(C)CN1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000972295634 658531649 /nfs/dbraw/zinc/53/16/49/658531649.db2.gz WISJNQHWUKRIQN-DOTOQJQBSA-N 2 0 307.438 0.960 20 30 DCEDRP CCOCCCNC(=[NH2+])NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000170907962 659397347 /nfs/dbraw/zinc/39/73/47/659397347.db2.gz GGNRKMLGWBAPNZ-AWEZNQCLSA-N 2 0 300.447 0.674 20 30 DCEDRP C#CCN1CCC[C@@H](NC(=O)N[C@H](CC)CN2CCOCC2)C1 ZINC000924034927 661390453 /nfs/dbraw/zinc/39/04/53/661390453.db2.gz GFDHOCNKCWLAKW-HZPDHXFCSA-N 2 0 322.453 0.494 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CCCO)CC2)CC1 ZINC000989734947 662974773 /nfs/dbraw/zinc/97/47/73/662974773.db2.gz LNQPEYKALIFCRY-UHFFFAOYSA-N 2 0 307.438 0.248 20 30 DCEDRP C=CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001000712437 665920495 /nfs/dbraw/zinc/92/04/95/665920495.db2.gz BBBWUACCYUNPDM-JKSUJKDBSA-N 2 0 305.422 0.784 20 30 DCEDRP CC#CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001000716697 665920675 /nfs/dbraw/zinc/92/06/75/665920675.db2.gz YQXKPYKWVOXUNJ-IAGOWNOFSA-N 2 0 317.433 0.621 20 30 DCEDRP C#CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001000715595 665920982 /nfs/dbraw/zinc/92/09/82/665920982.db2.gz SUXSPAKQDLILKP-JKSUJKDBSA-N 2 0 303.406 0.231 20 30 DCEDRP CC#CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001001076315 665990478 /nfs/dbraw/zinc/99/04/78/665990478.db2.gz NDSJCFJZLMYWIJ-KRWDZBQOSA-N 2 0 319.449 0.867 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000941412848 665993411 /nfs/dbraw/zinc/99/34/11/665993411.db2.gz MIZMUSAFXRFQRR-NVXWUHKLSA-N 2 0 320.481 0.731 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC000908435369 663755180 /nfs/dbraw/zinc/75/51/80/663755180.db2.gz GAVXKZIPMZAQAZ-OAHLLOKOSA-N 2 0 303.410 0.861 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000911235830 664009031 /nfs/dbraw/zinc/00/90/31/664009031.db2.gz ITAVXYFFFDWSNQ-KGLIPLIRSA-N 2 0 322.453 0.196 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000913760116 664720185 /nfs/dbraw/zinc/72/01/85/664720185.db2.gz GJGDISYNKZCCFD-UHFFFAOYSA-N 2 0 308.470 0.733 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC#C)[C@@H]2C)CC1 ZINC000994493640 665116347 /nfs/dbraw/zinc/11/63/47/665116347.db2.gz FBBMESHJLVZQCW-NVXWUHKLSA-N 2 0 301.434 0.934 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000919636709 665225283 /nfs/dbraw/zinc/22/52/83/665225283.db2.gz YLJAPPLDDOEKLX-HNNXBMFYSA-N 2 0 308.426 0.104 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000941461068 666000206 /nfs/dbraw/zinc/00/02/06/666000206.db2.gz XMORTIXVXMDCKE-QGZVFWFLSA-N 2 0 320.481 0.875 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000941455098 666003500 /nfs/dbraw/zinc/00/35/00/666003500.db2.gz KRQPFDCZUZSWPV-MRXNPFEDSA-N 2 0 308.470 0.731 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+](CCOC)CC2)CC1 ZINC001001466697 666055487 /nfs/dbraw/zinc/05/54/87/666055487.db2.gz FCRIJKXLPHLNMJ-UHFFFAOYSA-N 2 0 319.449 0.726 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000922628531 666498923 /nfs/dbraw/zinc/49/89/23/666498923.db2.gz DWTFSPTUZDPHKN-MRXNPFEDSA-N 2 0 322.453 0.494 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1(C)C ZINC000995956178 666724459 /nfs/dbraw/zinc/72/44/59/666724459.db2.gz HDBURQXGVOVKFR-OAHLLOKOSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+]([C@H](C)COC)C2)CC1 ZINC001033684368 666795037 /nfs/dbraw/zinc/79/50/37/666795037.db2.gz NVSYLMRHZVLNJV-NVXWUHKLSA-N 2 0 321.465 0.899 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1(C)C ZINC000996623624 666836730 /nfs/dbraw/zinc/83/67/30/666836730.db2.gz NWFBDCUHPMEUQT-HUUCEWRRSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001005427350 666856508 /nfs/dbraw/zinc/85/65/08/666856508.db2.gz WSNKHOQAZXCVPA-CVEARBPZSA-N 2 0 305.422 0.406 20 30 DCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001036211213 667430101 /nfs/dbraw/zinc/43/01/01/667430101.db2.gz JDELJFGIZCKGHL-GDBMZVCRSA-N 2 0 317.437 0.518 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CC[N@H+](CC3CC3)C1)C2 ZINC000884213027 667500598 /nfs/dbraw/zinc/50/05/98/667500598.db2.gz RUQLJGLTJGXACQ-DGNOSDGRSA-N 2 0 302.422 0.726 20 30 DCEDRP COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923459494 667536073 /nfs/dbraw/zinc/53/60/73/667536073.db2.gz CTOIHLNMURLPAU-HNNXBMFYSA-N 2 0 302.378 0.267 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870941205 667776344 /nfs/dbraw/zinc/77/63/44/667776344.db2.gz RWWONUWJZAKZNN-ADEWGFFLSA-N 2 0 323.194 0.677 20 30 DCEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](C)C[NH+]1CCCC1 ZINC000104174516 667963722 /nfs/dbraw/zinc/96/37/22/667963722.db2.gz OYYVFWVEKXSYPV-OAHLLOKOSA-N 2 0 311.474 0.216 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000876754110 668502667 /nfs/dbraw/zinc/50/26/67/668502667.db2.gz PBMZBEZJBUZEBB-RWMBFGLXSA-N 2 0 301.818 0.514 20 30 DCEDRP [NH3+]C[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[C@@H]1C(F)(F)F ZINC000877019482 668552604 /nfs/dbraw/zinc/55/26/04/668552604.db2.gz YMVICVLRPLORDZ-OLZOCXBDSA-N 2 0 317.355 0.975 20 30 DCEDRP C[NH2+]CCOCCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877023681 668553735 /nfs/dbraw/zinc/55/37/35/668553735.db2.gz ALDRLDWTSVCUJZ-OAHLLOKOSA-N 2 0 302.378 0.097 20 30 DCEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC#C)CC3)CC[C@@H]21 ZINC001036902547 670270996 /nfs/dbraw/zinc/27/09/96/670270996.db2.gz MERPQXUMOIFURZ-MSOLQXFVSA-N 2 0 313.445 0.888 20 30 DCEDRP C#CCC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000949320667 670311904 /nfs/dbraw/zinc/31/19/04/670311904.db2.gz RFYJANDWKFIZKU-INIZCTEOSA-N 2 0 319.449 0.797 20 30 DCEDRP C#CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000819304480 671109777 /nfs/dbraw/zinc/10/97/77/671109777.db2.gz GPXRPLZJIVMWIP-OALUTQOASA-N 2 0 315.461 0.819 20 30 DCEDRP C[C@@H]1C[NH+](CCCCNC(=O)C#CC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000852861408 671177815 /nfs/dbraw/zinc/17/78/15/671177815.db2.gz UTJKKGHRHNFPBK-HZPDHXFCSA-N 2 0 321.465 0.995 20 30 DCEDRP CC[NH+](CC)CCN(CCOC)C(=O)C#CC1CC[NH2+]CC1 ZINC000852867619 671179448 /nfs/dbraw/zinc/17/94/48/671179448.db2.gz YTBHLZVREUVYKI-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C#CC3CC[NH2+]CC3)C2)CC1 ZINC000852868398 671180240 /nfs/dbraw/zinc/18/02/40/671180240.db2.gz RUBHPYVKRGYILJ-MRXNPFEDSA-N 2 0 318.465 0.274 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000900505095 685449214 /nfs/dbraw/zinc/44/92/14/685449214.db2.gz STJZQNOCVOXFSJ-HNNXBMFYSA-N 2 0 322.453 0.435 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)CN1CCOCC1 ZINC000304741355 685211532 /nfs/dbraw/zinc/21/15/32/685211532.db2.gz CBDJKTVQQZYJAP-HUUCEWRRSA-N 2 0 311.474 0.343 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000305888584 685217401 /nfs/dbraw/zinc/21/74/01/685217401.db2.gz ZRYBMKUNJRFYIX-OCCSQVGLSA-N 2 0 307.442 0.386 20 30 DCEDRP CC#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958222513 687454290 /nfs/dbraw/zinc/45/42/90/687454290.db2.gz FANAXUIAQPVFHD-ZBFHGGJFSA-N 2 0 312.373 0.380 20 30 DCEDRP C=CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc3nccn32)C1 ZINC000958257993 687485820 /nfs/dbraw/zinc/48/58/20/687485820.db2.gz MFNYJFWYMDFDCC-OCCSQVGLSA-N 2 0 300.362 0.543 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958590971 687779378 /nfs/dbraw/zinc/77/93/78/687779378.db2.gz DIQCANDZFZJGNR-GJZGRUSLSA-N 2 0 307.438 0.457 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958590973 687779677 /nfs/dbraw/zinc/77/96/77/687779677.db2.gz DIQCANDZFZJGNR-LSDHHAIUSA-N 2 0 307.438 0.457 20 30 DCEDRP C=CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000958717408 687871480 /nfs/dbraw/zinc/87/14/80/687871480.db2.gz QIGQRDFATPXUDS-IRXDYDNUSA-N 2 0 317.433 0.957 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1=O ZINC000969077011 690465069 /nfs/dbraw/zinc/46/50/69/690465069.db2.gz IOZBJFZEAPLCOO-RBSFLKMASA-N 2 0 322.453 0.304 20 30 DCEDRP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007991112 690784097 /nfs/dbraw/zinc/78/40/97/690784097.db2.gz RDKFUYNCBBHTBQ-GWUWNPHMSA-N 2 0 305.422 0.616 20 30 DCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760862 694661457 /nfs/dbraw/zinc/66/14/57/694661457.db2.gz QZJHUWIWKCESIL-CABCVRRESA-N 2 0 303.406 0.017 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](CC#CC)C3)CC1 ZINC001073457452 694728983 /nfs/dbraw/zinc/72/89/83/694728983.db2.gz QUIAROWFEZUXIN-UHFFFAOYSA-N 2 0 313.445 0.889 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073611423 694751853 /nfs/dbraw/zinc/75/18/53/694751853.db2.gz WOAIQOUMLRTQAC-OWCLPIDISA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001570459056 1162521559 /nfs/dbraw/zinc/52/15/59/1162521559.db2.gz HVVIVMYMHJMEPX-HOCLYGCPSA-N 2 0 307.438 0.462 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001571462628 1162769562 /nfs/dbraw/zinc/76/95/62/1162769562.db2.gz HHDJQSUJPWZDKC-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP CC[C@@H](C(=O)N1C[C@H]([NH2+]CC#CCOC)C(C)(C)C1)[NH+](C)C ZINC001571566667 1162812316 /nfs/dbraw/zinc/81/23/16/1162812316.db2.gz XMJPCKYCSDNJOB-GJZGRUSLSA-N 2 0 309.454 0.803 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001571571480 1162815206 /nfs/dbraw/zinc/81/52/06/1162815206.db2.gz CPIPYAVNHZQNJQ-CHWSQXEVSA-N 2 0 317.355 0.942 20 30 DCEDRP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001571609177 1162859494 /nfs/dbraw/zinc/85/94/94/1162859494.db2.gz YACGOHUAAKBXLA-DLBZAZTESA-N 2 0 323.481 0.881 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]C[C@H](C)O)C(C)(C)C)CC1 ZINC001571637649 1162869914 /nfs/dbraw/zinc/86/99/14/1162869914.db2.gz AJQPAFKCQXRLCC-HOCLYGCPSA-N 2 0 323.481 0.833 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]Cc2ccon2)CC1 ZINC001754416622 1157726972 /nfs/dbraw/zinc/72/69/72/1157726972.db2.gz QYLCVQXWHDFUAE-UHFFFAOYSA-N 2 0 318.421 0.958 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001752681435 1158121970 /nfs/dbraw/zinc/12/19/70/1158121970.db2.gz HMIUIPMDQXQDMQ-MGPQQGTHSA-N 2 0 308.426 0.010 20 30 DCEDRP CC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001566033476 1159868481 /nfs/dbraw/zinc/86/84/81/1159868481.db2.gz VSISBNRLLTUZMM-IRXDYDNUSA-N 2 0 321.465 0.779 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1OCC ZINC001565952171 1159929070 /nfs/dbraw/zinc/92/90/70/1159929070.db2.gz MHIDOZFORXKRJN-GVDBMIGSSA-N 2 0 321.465 0.805 20 30 DCEDRP CC[N@@H+](CC#CCOC)CCCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001566573921 1160071201 /nfs/dbraw/zinc/07/12/01/1160071201.db2.gz ANOHDUXQFHVLHX-SFHVURJKSA-N 2 0 321.465 0.950 20 30 DCEDRP COCC#CC[NH+]1CCC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001566612648 1160092717 /nfs/dbraw/zinc/09/27/17/1160092717.db2.gz BZEWATCLDHWSHA-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001566642943 1160107999 /nfs/dbraw/zinc/10/79/99/1160107999.db2.gz WBGSKDWCFGJICN-IRXDYDNUSA-N 2 0 320.481 0.474 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]C[C@@H](CC)OC)CC1 ZINC001567611541 1160440351 /nfs/dbraw/zinc/44/03/51/1160440351.db2.gz LNJKDUPNRCIMDM-MRXNPFEDSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001568640759 1160719050 /nfs/dbraw/zinc/71/90/50/1160719050.db2.gz PGYGIPFEWSPJNZ-KGLIPLIRSA-N 2 0 322.453 0.093 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1=O ZINC001569015798 1160918061 /nfs/dbraw/zinc/91/80/61/1160918061.db2.gz AFQIMISFNFTLGC-UKRRQHHQSA-N 2 0 322.453 0.209 20 30 DCEDRP COCC#CC[NH2+]CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001569203403 1160977456 /nfs/dbraw/zinc/97/74/56/1160977456.db2.gz SPYYPNYUVJBYKU-INIZCTEOSA-N 2 0 307.438 0.416 20 30 DCEDRP COCC#CC[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001569228650 1160987303 /nfs/dbraw/zinc/98/73/03/1160987303.db2.gz FVXDXTKZQFEPBN-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001569560950 1161149307 /nfs/dbraw/zinc/14/93/07/1161149307.db2.gz LLJNOYLQBACCQW-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP C=C(Cl)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001569933241 1161329236 /nfs/dbraw/zinc/32/92/36/1161329236.db2.gz SYGHWJYDGIOSJU-CQSZACIVSA-N 2 0 315.845 0.491 20 30 DCEDRP C=CCC[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001569937378 1161333618 /nfs/dbraw/zinc/33/36/18/1161333618.db2.gz UUIBNHNRAJAGCW-HZPDHXFCSA-N 2 0 309.454 0.990 20 30 DCEDRP C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001574830290 1163761617 /nfs/dbraw/zinc/76/16/17/1163761617.db2.gz DVCFLRKCBSVGQR-GOEBONIOSA-N 2 0 319.453 0.936 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]1[NH+]1CCC(O)CC1 ZINC001574852360 1163771713 /nfs/dbraw/zinc/77/17/13/1163771713.db2.gz RQHJBUPPKDEGDM-MELADBBJSA-N 2 0 315.845 0.950 20 30 DCEDRP C=CC[C@H](C(=O)OC)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001574890013 1163787343 /nfs/dbraw/zinc/78/73/43/1163787343.db2.gz VZEPNEMXTBEIDS-RRFJBIMHSA-N 2 0 323.437 0.684 20 30 DCEDRP CC#CC[C@H]([NH3+])C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC001574972655 1163826940 /nfs/dbraw/zinc/82/69/40/1163826940.db2.gz NUQFSKLSEIHRLR-SJORKVTESA-N 2 0 315.417 0.263 20 30 DCEDRP C[C@H](CCC#N)[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001575941246 1164189648 /nfs/dbraw/zinc/18/96/48/1164189648.db2.gz MMRBDOQXOZKZJY-BPLDGKMQSA-N 2 0 305.426 0.899 20 30 DCEDRP COCC[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(C#N)cc1 ZINC001579026331 1165191168 /nfs/dbraw/zinc/19/11/68/1165191168.db2.gz QTFVTUCPCNLOGY-UHFFFAOYSA-N 2 0 302.422 0.912 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001661482360 1174130003 /nfs/dbraw/zinc/13/00/03/1174130003.db2.gz JRXBHTNIAUUZGN-VQHPVUNQSA-N 2 0 319.449 0.890 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001661809418 1174159569 /nfs/dbraw/zinc/15/95/69/1174159569.db2.gz WNELEIJTDWFMGH-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001662790673 1174241548 /nfs/dbraw/zinc/24/15/48/1174241548.db2.gz JRVAZFSQQDPYRT-HOTGVXAUSA-N 2 0 319.449 0.749 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001666921930 1174647390 /nfs/dbraw/zinc/64/73/90/1174647390.db2.gz VDMCDQWGOSLVIU-KBPBESRZSA-N 2 0 322.453 0.045 20 30 DCEDRP C#CCN(C(=O)CCC[NH+](C)C)C1CC[NH+](C[C@H](C)O)CC1 ZINC001671491478 1175015133 /nfs/dbraw/zinc/01/51/33/1175015133.db2.gz CCRHPVMTELQTDJ-HNNXBMFYSA-N 2 0 309.454 0.635 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+]C[C@H](C)O)C2)CC1 ZINC001672914997 1175160898 /nfs/dbraw/zinc/16/08/98/1175160898.db2.gz CHKWKRWBMWYKCO-JKSUJKDBSA-N 2 0 321.465 0.541 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCO1 ZINC001673288005 1175185082 /nfs/dbraw/zinc/18/50/82/1175185082.db2.gz CSCBNWCXGLLPOV-SJORKVTESA-N 2 0 321.465 0.947 20 30 DCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001673677020 1175223071 /nfs/dbraw/zinc/22/30/71/1175223071.db2.gz ZPSFMAIFRBSQBA-DOTOQJQBSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[NH2+]CC1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001674541656 1175282988 /nfs/dbraw/zinc/28/29/88/1175282988.db2.gz GSKOAKMQCBBGCJ-BDVYOWHSSA-N 2 0 319.449 0.462 20 30 DCEDRP COCCC[NH+]1CCC(NC(=O)NCC#CC[NH+](C)C)CC1 ZINC001678231997 1175635047 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DCEDRP COCC#CC[NH2+]C[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001698778134 1177648146 /nfs/dbraw/zinc/64/81/46/1177648146.db2.gz OWTSOXMBUVRTFM-INIZCTEOSA-N 2 0 309.454 0.854 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001698844755 1177691705 /nfs/dbraw/zinc/69/17/05/1177691705.db2.gz FERBRNYWYOBZLS-CQSZACIVSA-N 2 0 324.469 0.150 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001699593991 1178209654 /nfs/dbraw/zinc/20/96/54/1178209654.db2.gz UWAMDZVBOURLDA-HOCLYGCPSA-N 2 0 307.438 0.462 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC#CCOC)CC1 ZINC001699654300 1178240300 /nfs/dbraw/zinc/24/03/00/1178240300.db2.gz KGIXZPQKNVIPLY-HNNXBMFYSA-N 2 0 307.438 0.749 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001699658110 1178241869 /nfs/dbraw/zinc/24/18/69/1178241869.db2.gz ZWAQJRPYJLQHMC-UHFFFAOYSA-N 2 0 320.437 0.155 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCOCC1 ZINC001699881512 1178329230 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1178821677 /nfs/dbraw/zinc/82/16/77/1178821677.db2.gz UOHZCEVJSCYOCG-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1OCC ZINC001707149758 1180423787 /nfs/dbraw/zinc/42/37/87/1180423787.db2.gz NPQJQWMTIOKTBI-HZPDHXFCSA-N 2 0 309.454 0.967 20 30 DCEDRP C=CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001707209305 1180435981 /nfs/dbraw/zinc/43/59/81/1180435981.db2.gz QPMNGJIZDFXLGF-HZPDHXFCSA-N 2 0 309.454 0.800 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001713220435 1180726325 /nfs/dbraw/zinc/72/63/25/1180726325.db2.gz LCCGUMLMISMWMS-DLBZAZTESA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713351413 1180781284 /nfs/dbraw/zinc/78/12/84/1180781284.db2.gz DUZCTYDSQGBXBH-AWEZNQCLSA-N 2 0 322.453 0.069 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+][C@@H](C)COC)C2)CC1 ZINC001713363880 1180785882 /nfs/dbraw/zinc/78/58/82/1180785882.db2.gz DVEZRFIXVMTZKB-JKSUJKDBSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+][C@H](C)COC)C2)CC1 ZINC001713363879 1180786369 /nfs/dbraw/zinc/78/63/69/1180786369.db2.gz DVEZRFIXVMTZKB-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001714049783 1181226605 /nfs/dbraw/zinc/22/66/05/1181226605.db2.gz KRBNBTCAABZPKX-IRXDYDNUSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001714125510 1181255777 /nfs/dbraw/zinc/25/57/77/1181255777.db2.gz XAEKGPSOXKEZBC-HUUCEWRRSA-N 2 0 322.453 0.095 20 30 DCEDRP CC[N@H+](C)CCC(=O)NC1(C[NH2+]CC#CCOC)CCCC1 ZINC001714143947 1181261675 /nfs/dbraw/zinc/26/16/75/1181261675.db2.gz COBUOPXMRAOJKR-UHFFFAOYSA-N 2 0 309.454 0.997 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001715413820 1181806083 /nfs/dbraw/zinc/80/60/83/1181806083.db2.gz MWEHKIYVMJHZHO-CVEARBPZSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)CCCOC)CC1 ZINC001715539538 1181850270 /nfs/dbraw/zinc/85/02/70/1181850270.db2.gz KHEBGMAANKDITP-UHFFFAOYSA-N 2 0 309.454 0.758 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC#CCOC ZINC001715645918 1181920460 /nfs/dbraw/zinc/92/04/60/1181920460.db2.gz JZECQXPTPMTVNV-HOTGVXAUSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+][C@H](CC)C(N)=O)CC1 ZINC001715709493 1181951423 /nfs/dbraw/zinc/95/14/23/1181951423.db2.gz SLFPSZJFOSQKDS-DZGCQCFKSA-N 2 0 322.453 0.080 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCN(CC)C(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001715774430 1181988529 /nfs/dbraw/zinc/98/85/29/1181988529.db2.gz WEWJJXALPLCRKF-GJZGRUSLSA-N 2 0 322.453 0.163 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001716465898 1182400731 /nfs/dbraw/zinc/40/07/31/1182400731.db2.gz ODXKMLHJEMVPOI-LSDHHAIUSA-N 2 0 322.453 0.095 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001716696282 1182498167 /nfs/dbraw/zinc/49/81/67/1182498167.db2.gz CQFJSHAQHGZTKV-HOTGVXAUSA-N 2 0 319.449 0.892 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001716777174 1182522699 /nfs/dbraw/zinc/52/26/99/1182522699.db2.gz BADRLLOPLIRBDU-AWEZNQCLSA-N 2 0 305.426 0.825 20 30 DCEDRP C#CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](CCOC)CC1 ZINC001716809011 1182532619 /nfs/dbraw/zinc/53/26/19/1182532619.db2.gz QIKFAAWDNLRURV-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCCC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001716919733 1182575308 /nfs/dbraw/zinc/57/53/08/1182575308.db2.gz HGRSULTUAAVPOS-KRWDZBQOSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001717042829 1182640258 /nfs/dbraw/zinc/64/02/58/1182640258.db2.gz IGJRLIPJSUKRGX-DLBZAZTESA-N 2 0 319.449 0.655 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)C[C@H](C)O)CC1 ZINC001717376130 1182809888 /nfs/dbraw/zinc/80/98/88/1182809888.db2.gz KWMQRXSAFHWZKS-DOTOQJQBSA-N 2 0 321.465 0.635 20 30 DCEDRP C#CC[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001724420144 1184437490 /nfs/dbraw/zinc/43/74/90/1184437490.db2.gz NEFSWQVVLRWBIK-GOSISDBHSA-N 2 0 315.417 0.548 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001724534899 1184460193 /nfs/dbraw/zinc/46/01/93/1184460193.db2.gz VRNFGAIWLOGOOZ-HOTGVXAUSA-N 2 0 321.465 0.947 20 30 DCEDRP Cn1cncc1CCC(=O)NCC[NH+]1CCC(NCC#N)CC1 ZINC001724633568 1184482757 /nfs/dbraw/zinc/48/27/57/1184482757.db2.gz SUEUBLIQDFCLAF-UHFFFAOYSA-N 2 0 318.425 0.046 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001724984146 1184645137 /nfs/dbraw/zinc/64/51/37/1184645137.db2.gz FGVPTYOQRGAFFW-INIZCTEOSA-N 2 0 321.465 0.827 20 30 DCEDRP CCCC[C@H](C[NH2+]CC#CCOC)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001725233951 1184732082 /nfs/dbraw/zinc/73/20/82/1184732082.db2.gz QTNVRGSUTVUVEM-CVEARBPZSA-N 2 0 309.454 0.995 20 30 DCEDRP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001725543090 1184873832 /nfs/dbraw/zinc/87/38/32/1184873832.db2.gz PLCUQFWRKJFXAH-IRXDYDNUSA-N 2 0 317.433 0.445 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCOCC)[C@H]2C)CC1 ZINC001725608412 1184910705 /nfs/dbraw/zinc/91/07/05/1184910705.db2.gz RZNQTERDUAJFEV-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001725612319 1184911369 /nfs/dbraw/zinc/91/13/69/1184911369.db2.gz VHIZOAUNICTGNB-NVXWUHKLSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001731859696 1185534131 /nfs/dbraw/zinc/53/41/31/1185534131.db2.gz YGUUXLKSRTVUEJ-CVEARBPZSA-N 2 0 307.438 0.416 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]CC#CCOC)CC[N@@H+]1C ZINC001732853433 1186015082 /nfs/dbraw/zinc/01/50/82/1186015082.db2.gz QHNDVSUGTOKETB-DZEZYYDTSA-N 2 0 307.438 0.629 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C)C1=O ZINC001733001236 1186099160 /nfs/dbraw/zinc/09/91/60/1186099160.db2.gz CAOUCCMQLZQXRR-MELADBBJSA-N 2 0 310.442 0.208 20 30 DCEDRP C#CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](CCO)CC1 ZINC001733370111 1186243137 /nfs/dbraw/zinc/24/31/37/1186243137.db2.gz GDFYWGHWGOEUER-KRWDZBQOSA-N 2 0 319.449 0.247 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001733887948 1186487291 /nfs/dbraw/zinc/48/72/91/1186487291.db2.gz MSHFMVVZDDVREB-OAHLLOKOSA-N 2 0 309.454 0.539 20 30 DCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001733889646 1186488691 /nfs/dbraw/zinc/48/86/91/1186488691.db2.gz AEXPQYLYHRCPFA-INIZCTEOSA-N 2 0 307.438 0.601 20 30 DCEDRP CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](CC#CCOC)C[C@H]21 ZINC001734172122 1186567854 /nfs/dbraw/zinc/56/78/54/1186567854.db2.gz JFTKAYNMWXWDLQ-PHZGNYQRSA-N 2 0 307.438 0.272 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001734481618 1186663477 /nfs/dbraw/zinc/66/34/77/1186663477.db2.gz QEYKCQLMZZWQDJ-RDJZCZTQSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001734546386 1186688224 /nfs/dbraw/zinc/68/82/24/1186688224.db2.gz KFHKZRZJXNVEHG-QGZVFWFLSA-N 2 0 317.433 0.746 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC([C@@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001734579704 1186694191 /nfs/dbraw/zinc/69/41/91/1186694191.db2.gz XZAZHMIDNFQDQK-CQSZACIVSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001752775531 1188438556 /nfs/dbraw/zinc/43/85/56/1188438556.db2.gz NDQMKKYTPJQMJM-QLFBSQMISA-N 2 0 322.453 0.400 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+][C@@H](C)COC)CC1 ZINC001754210133 1188788301 /nfs/dbraw/zinc/78/83/01/1188788301.db2.gz RFHPTWHIMPPHAW-YVACAVLKSA-N 2 0 307.438 0.629 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC001754599840 1188887280 /nfs/dbraw/zinc/88/72/80/1188887280.db2.gz VMAPOIYLCOQVKV-JKSUJKDBSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001754698469 1188908628 /nfs/dbraw/zinc/90/86/28/1188908628.db2.gz NAIPOGRUFHCCGQ-GOSISDBHSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001755090947 1189019715 /nfs/dbraw/zinc/01/97/15/1189019715.db2.gz GKNWWPUBBKQORA-SJLPKXTDSA-N 2 0 321.465 0.683 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001755305323 1189073994 /nfs/dbraw/zinc/07/39/94/1189073994.db2.gz NIACWCLRRIFHIW-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCCN1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001755333327 1189084950 /nfs/dbraw/zinc/08/49/50/1189084950.db2.gz GSVDHVMUDKAYQG-HNNXBMFYSA-N 2 0 309.454 0.988 20 30 DCEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001755559962 1189148037 /nfs/dbraw/zinc/14/80/37/1189148037.db2.gz MSGIKDPPTMVHRP-INIZCTEOSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+](C)C(C)C ZINC001755571979 1189150078 /nfs/dbraw/zinc/15/00/78/1189150078.db2.gz AEPZQIAXPQQAGR-INIZCTEOSA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001755682422 1189183512 /nfs/dbraw/zinc/18/35/12/1189183512.db2.gz SIQPQYZTEIAORD-KGLIPLIRSA-N 2 0 322.453 0.209 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001077583681 751864159 /nfs/dbraw/zinc/86/41/59/751864159.db2.gz IFPXTQJRKROHRC-FVQBIDKESA-N 2 0 318.421 0.491 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@H](C)n1ccnc1 ZINC001167428217 747184547 /nfs/dbraw/zinc/18/45/47/747184547.db2.gz HZOUVDJWHPGTHS-UONOGXRCSA-N 2 0 319.409 0.068 20 30 DCEDRP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083249532 747424326 /nfs/dbraw/zinc/42/43/26/747424326.db2.gz JLCAPKCKARCTJM-LSDHHAIUSA-N 2 0 303.406 0.017 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C2CC(CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001100637138 747505983 /nfs/dbraw/zinc/50/59/83/747505983.db2.gz DHKBYTLPZBELLC-YMAMQOFZSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001203215125 748627788 /nfs/dbraw/zinc/62/77/88/748627788.db2.gz RPZVSRIAZYVINH-AWEZNQCLSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001203443083 749109076 /nfs/dbraw/zinc/10/90/76/749109076.db2.gz PZHQTAZATWOINK-CQSZACIVSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077219055 750275026 /nfs/dbraw/zinc/27/50/26/750275026.db2.gz HSQQIIUSLOTPHQ-HUUCEWRRSA-N 2 0 305.422 0.047 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001122536230 751089736 /nfs/dbraw/zinc/08/97/36/751089736.db2.gz VTCKULMTHRIHFD-HZPDHXFCSA-N 2 0 305.422 0.047 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001099223431 751135788 /nfs/dbraw/zinc/13/57/88/751135788.db2.gz QGMNLMOHSMFPPW-UTUOFQBUSA-N 2 0 303.328 0.693 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](C)CC)C[C@H]2O)CC1 ZINC001078227170 753122385 /nfs/dbraw/zinc/12/23/85/753122385.db2.gz MIATVDUVFXRBRN-DJIMGWMZSA-N 2 0 321.465 0.539 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](CCOC)CC2)CC1 ZINC001045647263 753277931 /nfs/dbraw/zinc/27/79/31/753277931.db2.gz YQRMBIXBGHLXSZ-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC001046064022 753457095 /nfs/dbraw/zinc/45/70/95/753457095.db2.gz CLHRKETVKXWEEO-IRXDYDNUSA-N 2 0 318.465 0.322 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046082980 753472301 /nfs/dbraw/zinc/47/23/01/753472301.db2.gz ZINXALHOPUEFSM-QGZVFWFLSA-N 2 0 320.481 0.877 20 30 DCEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001212463192 753501088 /nfs/dbraw/zinc/50/10/88/753501088.db2.gz VXSXTKFLJJHWSL-RBSFLKMASA-N 2 0 313.442 0.345 20 30 DCEDRP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001047386496 754235028 /nfs/dbraw/zinc/23/50/28/754235028.db2.gz WVVYLOKEFWWMKZ-FZKCQIBNSA-N 2 0 307.438 0.244 20 30 DCEDRP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001047401554 754249054 /nfs/dbraw/zinc/24/90/54/754249054.db2.gz WTQDUJXPAJGIQV-PMPSAXMXSA-N 2 0 307.438 0.388 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001047524401 754355549 /nfs/dbraw/zinc/35/55/49/754355549.db2.gz GQSRWNRICBKGLA-QEJZJMRPSA-N 2 0 318.421 0.909 20 30 DCEDRP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001047527292 754359667 /nfs/dbraw/zinc/35/96/67/754359667.db2.gz BHCZKGMTTRHRGM-PMPSAXMXSA-N 2 0 309.454 0.940 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001090261821 754831077 /nfs/dbraw/zinc/83/10/77/754831077.db2.gz PGSPVWDKIVJHRJ-HOTGVXAUSA-N 2 0 321.465 0.826 20 30 DCEDRP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833950 754967488 /nfs/dbraw/zinc/96/74/88/754967488.db2.gz WBIRQEZWVQUZPH-VVLHAWIVSA-N 2 0 317.433 0.263 20 30 DCEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090392172 757352637 /nfs/dbraw/zinc/35/26/37/757352637.db2.gz QRUNPAAPNXSZQH-GJZGRUSLSA-N 2 0 307.438 0.742 20 30 DCEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001084532852 757897491 /nfs/dbraw/zinc/89/74/91/757897491.db2.gz RQBUUSWWILFPKP-YLADIXGZSA-N 2 0 317.433 0.568 20 30 DCEDRP C=CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001098370985 762655798 /nfs/dbraw/zinc/65/57/98/762655798.db2.gz FBOLOMJPPWNTFQ-GDBMZVCRSA-N 2 0 309.454 0.798 20 30 DCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001085203250 758753545 /nfs/dbraw/zinc/75/35/45/758753545.db2.gz YMYDDXKCXYRRDT-HUUCEWRRSA-N 2 0 317.437 0.709 20 30 DCEDRP C=C(C)C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001051996478 759099509 /nfs/dbraw/zinc/09/95/09/759099509.db2.gz NGRLGBXNBYEISN-IAGOWNOFSA-N 2 0 320.481 0.875 20 30 DCEDRP C[NH+](C)CCOCC(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001147848113 767860376 /nfs/dbraw/zinc/86/03/76/767860376.db2.gz FURAURHLEBLQIQ-UHFFFAOYSA-N 2 0 322.384 0.481 20 30 DCEDRP C=C(Br)C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147878094 767870689 /nfs/dbraw/zinc/87/06/89/767870689.db2.gz RQBBNQOFPSHDHR-NSHDSACASA-N 2 0 304.232 0.943 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC001086176101 759803043 /nfs/dbraw/zinc/80/30/43/759803043.db2.gz CYKKAKYIOLYQII-UXLLHSPISA-N 2 0 319.449 0.747 20 30 DCEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097245 761081889 /nfs/dbraw/zinc/08/18/89/761081889.db2.gz IQTTUNIFHJWXJF-ZNMIVQPWSA-N 2 0 318.425 0.147 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC#CCOC)C2 ZINC001148548482 768011539 /nfs/dbraw/zinc/01/15/39/768011539.db2.gz VPJZJLWMYMMISY-UHFFFAOYSA-N 2 0 307.438 0.512 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001070475062 761263248 /nfs/dbraw/zinc/26/32/48/761263248.db2.gz BTHUGFSHBBORAX-IMJJTQAJSA-N 2 0 315.421 0.032 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001070629575 761362180 /nfs/dbraw/zinc/36/21/80/761362180.db2.gz NFPZPBXTRWNWHA-RBSFLKMASA-N 2 0 317.437 0.584 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1c1cncn1C ZINC001070691786 761399312 /nfs/dbraw/zinc/39/93/12/761399312.db2.gz JPWPKEGMWREWCL-KFWWJZLASA-N 2 0 319.453 0.830 20 30 DCEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109898876 761598866 /nfs/dbraw/zinc/59/88/66/761598866.db2.gz HHGGRTMJNGIJCN-PVAVHDDUSA-N 2 0 319.449 0.842 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)CC[C@H]2CCC[N@H+]2C)C1=O ZINC001129842527 763022399 /nfs/dbraw/zinc/02/23/99/763022399.db2.gz ZKWCTKYUVCIUOB-CABCVRRESA-N 2 0 322.453 0.354 20 30 DCEDRP C=CC[N@H+]1CC[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](O)C1 ZINC001099899600 763108725 /nfs/dbraw/zinc/10/87/25/763108725.db2.gz VQWQFMLGFYZISQ-JKSUJKDBSA-N 2 0 318.421 0.645 20 30 DCEDRP C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[NH+](C)C)C1 ZINC001130415192 763292750 /nfs/dbraw/zinc/29/27/50/763292750.db2.gz CSRNDRJHAJKSNB-ZDUSSCGKSA-N 2 0 305.426 0.953 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001130398861 763295278 /nfs/dbraw/zinc/29/52/78/763295278.db2.gz HBXOSJCIBMFMDG-UKRRQHHQSA-N 2 0 317.437 0.789 20 30 DCEDRP C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C[NH+]2CCCC2)C1 ZINC001130446909 763311860 /nfs/dbraw/zinc/31/18/60/763311860.db2.gz UCAZQHVFEXQYOP-AWEZNQCLSA-N 2 0 315.421 0.544 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131060172 763622083 /nfs/dbraw/zinc/62/20/83/763622083.db2.gz XPYDCIKOYPNVJY-HUUCEWRRSA-N 2 0 319.453 0.832 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131374480 763786088 /nfs/dbraw/zinc/78/60/88/763786088.db2.gz CFPUAWRAJCZXGG-GFCCVEGCSA-N 2 0 315.377 0.344 20 30 DCEDRP C#CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H](C)O2 ZINC001131704111 763949166 /nfs/dbraw/zinc/94/91/66/763949166.db2.gz QPYVHDVZDWFZPZ-NVXWUHKLSA-N 2 0 307.438 0.652 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131845110 764062112 /nfs/dbraw/zinc/06/21/12/764062112.db2.gz SAMURMUVAUUQAS-AWEZNQCLSA-N 2 0 324.469 0.647 20 30 DCEDRP C#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001098479013 764438015 /nfs/dbraw/zinc/43/80/15/764438015.db2.gz OBZFHFOLKJVILF-GOEBONIOSA-N 2 0 307.438 0.103 20 30 DCEDRP COCC#CCN1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001132426154 764452675 /nfs/dbraw/zinc/45/26/75/764452675.db2.gz SMIVBXSRYJIPSR-HZPDHXFCSA-N 2 0 319.449 0.701 20 30 DCEDRP C#CCC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001098479191 764491580 /nfs/dbraw/zinc/49/15/80/764491580.db2.gz WRMYISIEEAGHKM-NVXWUHKLSA-N 2 0 321.465 0.493 20 30 DCEDRP C[NH+](C)CCC(=O)NCC[NH2+]Cc1ccc(OCC#N)cc1 ZINC001133294486 764911872 /nfs/dbraw/zinc/91/18/72/764911872.db2.gz KMCOIEAACHLTAT-UHFFFAOYSA-N 2 0 304.394 0.746 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001133309276 764918283 /nfs/dbraw/zinc/91/82/83/764918283.db2.gz BCKUFISSZOVNKM-SJORKVTESA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1=O ZINC001133419703 764957861 /nfs/dbraw/zinc/95/78/61/764957861.db2.gz VGUQBPZUBPMFHS-ZIAGYGMSSA-N 2 0 310.442 0.065 20 30 DCEDRP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001103365233 765035780 /nfs/dbraw/zinc/03/57/80/765035780.db2.gz VBSMMWWWPZKWNS-BRWVUGGUSA-N 2 0 321.465 0.803 20 30 DCEDRP C=C(Br)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133867858 765194041 /nfs/dbraw/zinc/19/40/41/765194041.db2.gz XVYRJJRAGHCRNO-KOLCDFICSA-N 2 0 304.232 0.799 20 30 DCEDRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001133869730 765196422 /nfs/dbraw/zinc/19/64/22/765196422.db2.gz KERLUGCEZNAYTA-CZUORRHYSA-N 2 0 300.406 0.962 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939117 766178648 /nfs/dbraw/zinc/17/86/48/766178648.db2.gz UNPDMRZYBGGVTE-LSDHHAIUSA-N 2 0 307.438 0.605 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090573815 766329023 /nfs/dbraw/zinc/32/90/23/766329023.db2.gz PAXVDLYMMLRNLX-LSDHHAIUSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CCN1CC[C@H](NC(=O)Cn2ccnc2C(C)C)[C@@H](O)C1 ZINC001090618035 766382459 /nfs/dbraw/zinc/38/24/59/766382459.db2.gz ZMWCRVLHPCRFLZ-KBPBESRZSA-N 2 0 304.394 0.191 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(C)C)C[C@H]2O)CC1 ZINC001090830597 766649231 /nfs/dbraw/zinc/64/92/31/766649231.db2.gz NOFPOUXCNWLRBR-IAGOWNOFSA-N 2 0 321.465 0.539 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001171225872 767049213 /nfs/dbraw/zinc/04/92/13/767049213.db2.gz AMCBMXYAYZEOLD-LSDHHAIUSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CCN1C(=O)C[C@H](N2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)C1=O ZINC001120771077 767196053 /nfs/dbraw/zinc/19/60/53/767196053.db2.gz LACRATJIHCJDHJ-JCGIZDLHSA-N 2 0 315.417 0.555 20 30 DCEDRP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001149849923 768882810 /nfs/dbraw/zinc/88/28/10/768882810.db2.gz XTHUMTBPZBNICU-HOTGVXAUSA-N 2 0 307.438 0.557 20 30 DCEDRP C=C(C)CN1CC(n2cc(CNC(=O)[C@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001094338580 768997504 /nfs/dbraw/zinc/99/75/04/768997504.db2.gz LQVLIUNKIBSJFD-ZDUSSCGKSA-N 2 0 318.425 0.279 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCc2cnn(C)c2)CC1 ZINC001152324158 769527060 /nfs/dbraw/zinc/52/70/60/769527060.db2.gz NTDQXXXGKSUOSW-UHFFFAOYSA-N 2 0 317.437 0.014 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCOCC(F)F)CC1 ZINC001152323754 769527223 /nfs/dbraw/zinc/52/72/23/769527223.db2.gz DPRPVOIPMJADPU-UHFFFAOYSA-N 2 0 317.380 0.319 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC2CCOCC2)CC1 ZINC001152330029 769528899 /nfs/dbraw/zinc/52/88/99/769528899.db2.gz HZLNNMSBWXGLLR-UHFFFAOYSA-N 2 0 307.438 0.464 20 30 DCEDRP N#Cc1ccc(F)c(S(=O)(=O)NCCC[NH2+]CCC[NH3+])c1 ZINC001238879032 770139958 /nfs/dbraw/zinc/13/99/58/770139958.db2.gz NFXMIJHHYLYSBH-UHFFFAOYSA-N 2 0 314.386 0.304 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C[C@H]2CC[C@@H](C)O2)CC1 ZINC001176926863 770226923 /nfs/dbraw/zinc/22/69/23/770226923.db2.gz YEDFZRJEVPSCQF-NVXWUHKLSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176938671 770235495 /nfs/dbraw/zinc/23/54/95/770235495.db2.gz UWABXUMHWVQPDZ-HNNXBMFYSA-N 2 0 324.469 0.649 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176992633 770282883 /nfs/dbraw/zinc/28/28/83/770282883.db2.gz WABXFFQGCXSPBU-LSDHHAIUSA-N 2 0 322.453 0.095 20 30 DCEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001154836511 770312775 /nfs/dbraw/zinc/31/27/75/770312775.db2.gz BPAVZAKIDLJHMN-CVEARBPZSA-N 2 0 309.454 0.946 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)CCCC[NH+]1CCCC1 ZINC001177332671 770411494 /nfs/dbraw/zinc/41/14/94/770411494.db2.gz PYSDUSDIRHPULX-UHFFFAOYSA-N 2 0 324.469 0.651 20 30 DCEDRP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155255094 770451337 /nfs/dbraw/zinc/45/13/37/770451337.db2.gz JIRPMXYXDNCZGP-JKSUJKDBSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178731160 770848292 /nfs/dbraw/zinc/84/82/92/770848292.db2.gz NFMZQBNZYCCQAY-QXSJWSMHSA-N 2 0 307.438 0.555 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001179852723 771024420 /nfs/dbraw/zinc/02/44/20/771024420.db2.gz ZLKQWQQBLMXSNT-ILXRZTDVSA-N 2 0 322.453 0.045 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001179976194 771041463 /nfs/dbraw/zinc/04/14/63/771041463.db2.gz JMKVTVHAMYPURJ-GJZGRUSLSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC#CC)[C@@H]2C)CC1 ZINC001180204688 771074117 /nfs/dbraw/zinc/07/41/17/771074117.db2.gz ZMSOEDPBGWUZEJ-RDJZCZTQSA-N 2 0 301.434 0.934 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158867016 771829296 /nfs/dbraw/zinc/82/92/96/771829296.db2.gz XYHCDWHJCKQHQC-IAGOWNOFSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185401619 771911787 /nfs/dbraw/zinc/91/17/87/771911787.db2.gz VBVFJXMFKNXTMX-OAHLLOKOSA-N 2 0 322.453 0.329 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2cccnc2)N(C)C)C1 ZINC001188172770 772274189 /nfs/dbraw/zinc/27/41/89/772274189.db2.gz OFTRDQKXYAAVLB-HZPDHXFCSA-N 2 0 300.406 0.898 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001161859634 772290562 /nfs/dbraw/zinc/29/05/62/772290562.db2.gz JAISWSZIIGPIER-UHFFFAOYSA-N 2 0 315.377 0.346 20 30 DCEDRP C[NH+]1CCC(C#N)(Nc2ccc(N3CC[NH2+]CC3)nn2)CC1 ZINC001162225087 772344514 /nfs/dbraw/zinc/34/45/14/772344514.db2.gz DVFXTQBAQBEUAK-UHFFFAOYSA-N 2 0 301.398 0.286 20 30 DCEDRP CN(C)/C=[NH+]/c1ccc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)cc1C#N ZINC001163252143 772492076 /nfs/dbraw/zinc/49/20/76/772492076.db2.gz FMDHZHCKIPWHTA-BXBWPVBISA-N 2 0 312.377 0.770 20 30 DCEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001164596509 772686848 /nfs/dbraw/zinc/68/68/48/772686848.db2.gz LZQBHSORMPREKU-GJZGRUSLSA-N 2 0 307.438 0.912 20 30 DCEDRP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2COCCN2CCCC)CC1 ZINC001166391720 772806754 /nfs/dbraw/zinc/80/67/54/772806754.db2.gz YZOZPEVUSVMTCL-INIZCTEOSA-N 2 0 321.465 0.997 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001166743990 772855017 /nfs/dbraw/zinc/85/50/17/772855017.db2.gz BYGLFJWNCYOYGR-AWEZNQCLSA-N 2 0 324.469 0.505 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001192342911 772907785 /nfs/dbraw/zinc/90/77/85/772907785.db2.gz LPKWGBABHPGPMF-HOTGVXAUSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001205719280 773013388 /nfs/dbraw/zinc/01/33/88/773013388.db2.gz HJPYUZWXNCIEKN-UPTPFMHGSA-N 2 0 319.449 0.864 20 30 DCEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001194026341 773140757 /nfs/dbraw/zinc/14/07/57/773140757.db2.gz CJENCOUHPZSNSR-JKSUJKDBSA-N 2 0 307.438 0.511 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001206979464 773155520 /nfs/dbraw/zinc/15/55/20/773155520.db2.gz XYSIIYITSKKUCM-HYVNUMGLSA-N 2 0 319.449 0.415 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209314310 773590188 /nfs/dbraw/zinc/59/01/88/773590188.db2.gz IECGUSJFMAIWGO-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211090202 773769907 /nfs/dbraw/zinc/76/99/07/773769907.db2.gz HSIPOSJDESVSFU-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213599281 773866140 /nfs/dbraw/zinc/86/61/40/773866140.db2.gz YTEPUUINPCMGAI-HUUCEWRRSA-N 2 0 313.442 0.346 20 30 DCEDRP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001198653079 773957881 /nfs/dbraw/zinc/95/78/81/773957881.db2.gz HCUOSTCFNGUWHP-ARFHVFGLSA-N 2 0 309.454 0.846 20 30 DCEDRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC#CCOC)C1 ZINC001214997789 774032470 /nfs/dbraw/zinc/03/24/70/774032470.db2.gz MPPFKDUJRYGNOQ-HUUCEWRRSA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216757830 774134342 /nfs/dbraw/zinc/13/43/42/774134342.db2.gz NIESTVFSRLWYEA-BZUAXINKSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052424 774355061 /nfs/dbraw/zinc/35/50/61/774355061.db2.gz ZOOSQIJQFNXIFD-DLBZAZTESA-N 2 0 319.449 0.797 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)CCCO1 ZINC001200626783 774378482 /nfs/dbraw/zinc/37/84/82/774378482.db2.gz BXCYLUDXEAMTRT-CABCVRRESA-N 2 0 313.417 0.507 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCCO1 ZINC001201226471 774467227 /nfs/dbraw/zinc/46/72/27/774467227.db2.gz YMSDMELSVBMGEC-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCCO1 ZINC001201569848 774526260 /nfs/dbraw/zinc/52/62/60/774526260.db2.gz UESHUPCWYDLYEE-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001201701393 774540832 /nfs/dbraw/zinc/54/08/32/774540832.db2.gz NBWWSXYHOQUZDV-BFHRDPOASA-N 2 0 317.433 0.454 20 30 DCEDRP C#C[C@](C)([NH3+])C(=O)NCc1cccc(N2CC[NH+](C)CC2)c1 ZINC001219961724 774656990 /nfs/dbraw/zinc/65/69/90/774656990.db2.gz UHTQKHJVMKNHOZ-KRWDZBQOSA-N 2 0 300.406 0.405 20 30 DCEDRP COC(=O)[C@H](CS)NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001220036916 774676181 /nfs/dbraw/zinc/67/61/81/774676181.db2.gz ZUCAAQTXESPWPR-QWRGUYRKSA-N 2 0 305.444 0.070 20 30 DCEDRP C#CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073686 774688717 /nfs/dbraw/zinc/68/87/17/774688717.db2.gz HWVRLJWLLSRGDC-SJORKVTESA-N 2 0 321.465 0.826 20 30 DCEDRP COCC#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001224546917 775582191 /nfs/dbraw/zinc/58/21/91/775582191.db2.gz SUIAULZSCSVDKX-RDJZCZTQSA-N 2 0 321.465 0.662 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001224583630 775587416 /nfs/dbraw/zinc/58/74/16/775587416.db2.gz WRHAEYJFCQBCOH-HNNXBMFYSA-N 2 0 324.469 0.457 20 30 DCEDRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#CCOC ZINC001111309153 775727487 /nfs/dbraw/zinc/72/74/87/775727487.db2.gz JNJZZTDQTFTUPB-OAGGEKHMSA-N 2 0 307.438 0.700 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001229254521 776175145 /nfs/dbraw/zinc/17/51/45/776175145.db2.gz VJGVLCPGSRXLIH-HIFRSBDPSA-N 2 0 324.469 0.598 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001229908332 776234592 /nfs/dbraw/zinc/23/45/92/776234592.db2.gz ISYIOZXLQJFSPH-AWEZNQCLSA-N 2 0 324.469 0.600 20 30 DCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001114853053 776253034 /nfs/dbraw/zinc/25/30/34/776253034.db2.gz XEKCUGXQRZKGAW-LISAXSMJSA-N 2 0 319.449 0.557 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001230138171 776256822 /nfs/dbraw/zinc/25/68/22/776256822.db2.gz IUSHULURLBVTJQ-RBSFLKMASA-N 2 0 322.453 0.257 20 30 DCEDRP C#CC[N@H+]1CC[C@H](CCNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001317811196 945192464 /nfs/dbraw/zinc/19/24/64/945192464.db2.gz JPHDCVKUDPOMGS-INIZCTEOSA-N 2 0 301.434 0.793 20 30 DCEDRP C=C(C)CN1C[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273029555 945207845 /nfs/dbraw/zinc/20/78/45/945207845.db2.gz CYZUUYCYRPMMIH-KRWDZBQOSA-N 2 0 307.438 0.865 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CN(CC)CCO1 ZINC001266247156 939025321 /nfs/dbraw/zinc/02/53/21/939025321.db2.gz DQOZMVRHWSNUQG-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001267041232 939321180 /nfs/dbraw/zinc/32/11/80/939321180.db2.gz MAYCUXTURWMCNL-WBVHZDCISA-N 2 0 319.449 0.416 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001267445782 939458687 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ZINC001279173080 950521996 /nfs/dbraw/zinc/52/19/96/950521996.db2.gz YDTSJRAMBVXSGZ-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP C=C(C)C[NH+]1CCC[C@@](CO)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001279490030 950602204 /nfs/dbraw/zinc/60/22/04/950602204.db2.gz JRYRMTYRQDQLQB-QGZVFWFLSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001279637159 950652118 /nfs/dbraw/zinc/65/21/18/950652118.db2.gz SLIRBZXLIKWVOR-QGZVFWFLSA-N 2 0 321.465 0.971 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](CC)[C@H](C)C(N)=O)CC1 ZINC001490362802 950663559 /nfs/dbraw/zinc/66/35/59/950663559.db2.gz ZICKGDMPGJHYEA-CQSZACIVSA-N 2 0 322.453 0.034 20 30 DCEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001280584868 950968189 /nfs/dbraw/zinc/96/81/89/950968189.db2.gz USURTEFBQUOQTP-JKSUJKDBSA-N 2 0 307.438 0.721 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001331297453 951063297 /nfs/dbraw/zinc/06/32/97/951063297.db2.gz RREGGWKJEBIRLK-SJORKVTESA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001281184855 951358872 /nfs/dbraw/zinc/35/88/72/951358872.db2.gz OPIASTXXGYBEPY-WBVHZDCISA-N 2 0 307.438 0.295 20 30 DCEDRP C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001274134194 951440479 /nfs/dbraw/zinc/44/04/79/951440479.db2.gz QELYZWXILRZILG-GXMNPTEKSA-N 2 0 308.426 0.035 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC#CCOC)C[C@H]1C ZINC001332050458 951453848 /nfs/dbraw/zinc/45/38/48/951453848.db2.gz PJXVKABHYUCWIB-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCCOC)C[C@@H]2C)CC1 ZINC001332066074 951461114 /nfs/dbraw/zinc/46/11/14/951461114.db2.gz UUOHPKPGXSHWQO-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)CN1CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001332199438 951517958 /nfs/dbraw/zinc/51/79/58/951517958.db2.gz PGTNPMPASXDONZ-KBPBESRZSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001274589637 951720843 /nfs/dbraw/zinc/72/08/43/951720843.db2.gz RSQWZKHPDSKZAO-HNNXBMFYSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C2CC(N(C)C(=O)CC[NH+](C)C)C2)C1=O ZINC001333115972 951923355 /nfs/dbraw/zinc/92/33/55/951923355.db2.gz HIIRMCRXQXYOJZ-YMAMQOFZSA-N 2 0 322.453 0.304 20 30 DCEDRP C#CC[NH2+]CCC(=O)NC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001333166664 951942568 /nfs/dbraw/zinc/94/25/68/951942568.db2.gz SYYCIMXQMJYOOO-OAHLLOKOSA-N 2 0 322.453 0.048 20 30 DCEDRP C=C(C)C[NH2+]CCOCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001333222522 951962235 /nfs/dbraw/zinc/96/22/35/951962235.db2.gz IEZDWERLLVWASY-INIZCTEOSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CC[NH2+]CCCOC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001276170666 952964924 /nfs/dbraw/zinc/96/49/24/952964924.db2.gz KUXLPZPABZZQCY-MRXNPFEDSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC001341732432 953248456 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CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001367625532 958210919 /nfs/dbraw/zinc/21/09/19/958210919.db2.gz SWSCPQHMUSEWBA-CVEARBPZSA-N 2 0 318.421 0.465 20 30 DCEDRP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001316747464 960361216 /nfs/dbraw/zinc/36/12/16/960361216.db2.gz JACJYKYMIJBJKD-DLBZAZTESA-N 2 0 321.465 0.779 20 30 DCEDRP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001316750220 960366368 /nfs/dbraw/zinc/36/63/68/960366368.db2.gz ZYDLJCZOEGMXEO-IRXDYDNUSA-N 2 0 323.481 0.881 20 30 DCEDRP CN(CCC#N)C(=O)CCN1CCC([NH2+]C2CCOCC2)CC1 ZINC001363829579 961976357 /nfs/dbraw/zinc/97/63/57/961976357.db2.gz BDUZYYAVYPQDOO-UHFFFAOYSA-N 2 0 322.453 0.982 20 30 DCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccccc1C#N ZINC001392391660 991863348 /nfs/dbraw/zinc/86/33/48/991863348.db2.gz MLMRJVHOSVVZAN-HZPDHXFCSA-N 2 0 316.405 0.219 20 30 DCEDRP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001507036926 1015908248 /nfs/dbraw/zinc/90/82/48/1015908248.db2.gz NKOKWIXKYFBIRP-NVXWUHKLSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH2+]C1(C)CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001502809621 1016078407 /nfs/dbraw/zinc/07/84/07/1016078407.db2.gz LCQBYHDEQQGYCT-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001505446590 1016247630 /nfs/dbraw/zinc/24/76/30/1016247630.db2.gz OKMSDINVZQZTCP-DLBZAZTESA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001505668197 1016424354 /nfs/dbraw/zinc/42/43/54/1016424354.db2.gz UZCYTSWQNZFUSY-HUUCEWRRSA-N 2 0 309.454 0.993 20 30 DCEDRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001420186573 1001999223 /nfs/dbraw/zinc/99/92/23/1001999223.db2.gz BZZDUOIGJCLCNR-HOTGVXAUSA-N 2 0 316.405 0.077 20 30 DCEDRP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(C#N)s1 ZINC001425837162 1003165437 /nfs/dbraw/zinc/16/54/37/1003165437.db2.gz DIMYKDDNGXRDDR-GFCCVEGCSA-N 2 0 324.450 0.527 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001406400361 1003682619 /nfs/dbraw/zinc/68/26/19/1003682619.db2.gz HIQOYMOYCOBCEF-GFCCVEGCSA-N 2 0 313.833 0.905 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(C#N)s1 ZINC001423260700 1011025600 /nfs/dbraw/zinc/02/56/00/1011025600.db2.gz UJTIUBMOLKLRRM-NSHDSACASA-N 2 0 310.423 0.138 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]Cc1cc(C#N)ccc1F ZINC001445222100 1011537666 /nfs/dbraw/zinc/53/76/66/1011537666.db2.gz FHVRVMUBKQRQIZ-AWEZNQCLSA-N 2 0 322.384 0.216 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001565497379 1012172948 /nfs/dbraw/zinc/17/29/48/1012172948.db2.gz LIIDXNYNYGPOFC-INIZCTEOSA-N 2 0 306.454 0.973 20 30 DCEDRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCC#CC[NH+](C)C ZINC001565056296 1012546384 /nfs/dbraw/zinc/54/63/84/1012546384.db2.gz CNOIMCCXUSVOQL-HNNXBMFYSA-N 2 0 311.474 0.123 20 30 DCEDRP C#CCC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001479660590 1017639315 /nfs/dbraw/zinc/63/93/15/1017639315.db2.gz CFWPHDBREXYXBP-JKSUJKDBSA-N 2 0 307.438 0.247 20 30 DCEDRP C=CCN1CC[C@H]([N@H+](C)CCCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001479812983 1017819592 /nfs/dbraw/zinc/81/95/92/1017819592.db2.gz VPRAYZQBJWPJRE-CABCVRRESA-N 2 0 322.453 0.163 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001499421148 1017925040 /nfs/dbraw/zinc/92/50/40/1017925040.db2.gz LXBCYZSQBOISNT-CYBMUJFWSA-N 2 0 320.437 0.011 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001499855485 1018106402 /nfs/dbraw/zinc/10/64/02/1018106402.db2.gz WKBVHEDGURCJKL-HZPDHXFCSA-N 2 0 319.449 0.701 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001480264712 1018386713 /nfs/dbraw/zinc/38/67/13/1018386713.db2.gz GNWMRZYGZDTYSP-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001495465816 1018522901 /nfs/dbraw/zinc/52/29/01/1018522901.db2.gz AMKUCKFMJJCLGT-QAQDUYKDSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH2+]C1CCN(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001501285801 1019010654 /nfs/dbraw/zinc/01/06/54/1019010654.db2.gz KCLVDBBGBFJDCM-OAHLLOKOSA-N 2 0 306.454 0.132 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001493113045 1019112511 /nfs/dbraw/zinc/11/25/11/1019112511.db2.gz WSCJQNRSITWUMD-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001501886855 1019539148 /nfs/dbraw/zinc/53/91/48/1019539148.db2.gz ZTIFJGIKHHDSBY-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001496916685 1019759187 /nfs/dbraw/zinc/75/91/87/1019759187.db2.gz QOWSTIHDQVGMIQ-HOTGVXAUSA-N 2 0 319.449 0.607 20 30 DCEDRP C#CCN1CCN(CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001494093035 1019979268 /nfs/dbraw/zinc/97/92/68/1019979268.db2.gz VHOIOBVJGJZMAM-HZPDHXFCSA-N 2 0 306.454 0.036 20 30 DCEDRP CN1CC[NH+]=C1NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000262629437 529778569 /nfs/dbraw/zinc/77/85/69/529778569.db2.gz FKMMZDQGJHGZRX-UHFFFAOYSA-N 2 0 301.438 0.695 20 30 DCEDRP CN1CC[NH+]=C1NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000262664316 529778784 /nfs/dbraw/zinc/77/87/84/529778784.db2.gz NXZYODYBLZHEIX-UHFFFAOYSA-N 2 0 309.458 0.504 20 30 DCEDRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=[NH2+])Nc1ccccn1 ZINC000264291162 238194842 /nfs/dbraw/zinc/19/48/42/238194842.db2.gz PWRYKKBDILTWBE-CYBMUJFWSA-N 2 0 318.425 0.751 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)[C@H](C)C#N ZINC000352412731 285251021 /nfs/dbraw/zinc/25/10/21/285251021.db2.gz IHRFMFMKOKEWDS-ZIAGYGMSSA-N 2 0 316.471 0.576 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCOC)CC1 ZINC000069501022 396080981 /nfs/dbraw/zinc/08/09/81/396080981.db2.gz IZNOEOGYQQBTAC-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602452859 397405359 /nfs/dbraw/zinc/40/53/59/397405359.db2.gz WBWSORLAAFDLSD-UHFFFAOYSA-N 2 0 315.421 0.843 20 30 DCEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H](C)c1ccc(C)o1 ZINC000262758488 416337052 /nfs/dbraw/zinc/33/70/52/416337052.db2.gz CHORPDBWNOCCFI-UONOGXRCSA-N 2 0 305.426 0.814 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000490574326 416569030 /nfs/dbraw/zinc/56/90/30/416569030.db2.gz PEFYWJJKGVWJEX-UHFFFAOYSA-N 2 0 320.481 0.475 20 30 DCEDRP C#CCNC(=O)CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000491714880 416618521 /nfs/dbraw/zinc/61/85/21/416618521.db2.gz HZJCMKZOQBTLOO-JKSUJKDBSA-N 2 0 307.438 0.483 20 30 DCEDRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424154714 416618594 /nfs/dbraw/zinc/61/85/94/416618594.db2.gz LTUULTHHNOOUJG-KBPBESRZSA-N 2 0 323.441 0.066 20 30 DCEDRP CC(C)[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)N1CC[NH+](C)CC1 ZINC000565714340 417011142 /nfs/dbraw/zinc/01/11/42/417011142.db2.gz IWLPCMMJRXICJY-GJZGRUSLSA-N 2 0 309.458 0.396 20 30 DCEDRP C=CC[C@]1(C(=O)NCCN2CCC([NH+](C)C)CC2)CCC[NH2+]1 ZINC000662748430 417885497 /nfs/dbraw/zinc/88/54/97/417885497.db2.gz UCBHLODKYAODPH-QGZVFWFLSA-N 2 0 308.470 0.827 20 30 DCEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N(C)Cc1cccn1C ZINC000261969787 275407034 /nfs/dbraw/zinc/40/70/34/275407034.db2.gz MMQOTPVZOAQJKF-OAHLLOKOSA-N 2 0 304.442 0.032 20 30 DCEDRP C[NH+]=C(NC[C@H](C)N1CC[NH+](C)CC1)N1CC[C@@]2(CCOC2)C1 ZINC000261971636 277752275 /nfs/dbraw/zinc/75/22/75/277752275.db2.gz MWKDVWMXBZHHPG-DOTOQJQBSA-N 2 0 323.485 0.310 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000304013938 340358710 /nfs/dbraw/zinc/35/87/10/340358710.db2.gz VXYQYBZNYJJRPV-KRWDZBQOSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC[NH+](C)C)OCC)CC1 ZINC000176860266 340433044 /nfs/dbraw/zinc/43/30/44/340433044.db2.gz IJFPGNFQIHCGJL-MRXNPFEDSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000131569780 341097446 /nfs/dbraw/zinc/09/74/46/341097446.db2.gz OCDFRESNFMECMD-KRWDZBQOSA-N 2 0 321.465 0.685 20 30 DCEDRP COc1ccc(NC(=[NH2+])NC[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC000262315143 533992573 /nfs/dbraw/zinc/99/25/73/533992573.db2.gz QOSXDGMNLUTLHA-HNNXBMFYSA-N 2 0 308.382 0.497 20 30 DCEDRP COc1ccccc1CNC(=[NH2+])NC[C@@H](O)C[NH+]1CCCCC1 ZINC000170913234 534075690 /nfs/dbraw/zinc/07/56/90/534075690.db2.gz CTZTWTJFAWLZOA-OAHLLOKOSA-N 2 0 320.437 0.946 20 30 DCEDRP C[NH+]=C(NC[C@@H](C)N1CC[NH+](C)CC1)N(C)Cc1ccon1 ZINC000261783853 526369475 /nfs/dbraw/zinc/36/94/75/526369475.db2.gz PPOHPJPRCAMYCA-CYBMUJFWSA-N 2 0 308.430 0.318 20 30 DCEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N(C)CCC1CCOCC1 ZINC000261982030 526378409 /nfs/dbraw/zinc/37/84/09/526378409.db2.gz PBWSVNWBWWBDFA-INIZCTEOSA-N 2 0 323.485 0.310 20 30 DCEDRP C[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261946669 526392357 /nfs/dbraw/zinc/39/23/57/526392357.db2.gz GBFZSCFMZKVUJM-GXFFZTMASA-N 2 0 305.430 0.271 20 30 DCEDRP C[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000261974141 526392670 /nfs/dbraw/zinc/39/26/70/526392670.db2.gz NJFMQJDDKGQNGF-ZYHUDNBSSA-N 2 0 305.430 0.414 20 30 DCEDRP CC[NH+]=C(NC[C@@H]1CCCS1)NC[C@@H]1C[N@H+](C)CCN1C ZINC000261992820 528809951 /nfs/dbraw/zinc/80/99/51/528809951.db2.gz RTMDBJMLIYBXBS-KGLIPLIRSA-N 2 0 313.515 0.683 20 30 DCEDRP C[C@H]1C[NH+](CCCNC(=O)NCC#CC[NH+](C)C)C[C@H](C)O1 ZINC001674965525 1175312492 /nfs/dbraw/zinc/31/24/92/1175312492.db2.gz XAZKGNFQZBIURA-GJZGRUSLSA-N 2 0 310.442 0.350 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOC)CC2(C)C)CC1 ZINC000977660672 660412987 /nfs/dbraw/zinc/41/29/87/660412987.db2.gz ZSDMHTUBNLTLBH-MRXNPFEDSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC000978324908 660520559 /nfs/dbraw/zinc/52/05/59/660520559.db2.gz ZRYZUQQDOLCNDV-PHZGNYQRSA-N 2 0 301.434 0.790 20 30 DCEDRP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028036761 661092025 /nfs/dbraw/zinc/09/20/25/661092025.db2.gz GNCIOVAIUCRSSM-DGNOSDGRSA-N 2 0 305.422 0.616 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001028194993 661270245 /nfs/dbraw/zinc/27/02/45/661270245.db2.gz IGASIUVEBGDMKN-INIZCTEOSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000972522055 657575204 /nfs/dbraw/zinc/57/52/04/657575204.db2.gz GDFMCYFDWIHYQG-HNNXBMFYSA-N 2 0 303.410 0.224 20 30 DCEDRP C=CCN1CCO[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC000972552899 657761885 /nfs/dbraw/zinc/76/18/85/657761885.db2.gz VGSGDYRQNUUSLM-RDJZCZTQSA-N 2 0 307.438 0.960 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001023447080 657875724 /nfs/dbraw/zinc/87/57/24/657875724.db2.gz FIXMBKOBORANOX-LSDHHAIUSA-N 2 0 300.406 0.907 20 30 DCEDRP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001023553216 657981234 /nfs/dbraw/zinc/98/12/34/657981234.db2.gz XRGVHSNWQZFWOX-SJORKVTESA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2C[C@H]2CCOC2)CC1 ZINC001039042882 657991319 /nfs/dbraw/zinc/99/13/19/657991319.db2.gz YJZKOBOYIAZNND-WBVHZDCISA-N 2 0 319.449 0.559 20 30 DCEDRP C=CC[NH+]1CC([C@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000969686816 658078573 /nfs/dbraw/zinc/07/85/73/658078573.db2.gz JBQAMECLLLPXNA-ZDUSSCGKSA-N 2 0 305.426 0.681 20 30 DCEDRP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]12 ZINC001026387811 659275074 /nfs/dbraw/zinc/27/50/74/659275074.db2.gz FBDFDVWCFOMEEY-HYVNUMGLSA-N 2 0 319.449 0.557 20 30 DCEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025799060 659565938 /nfs/dbraw/zinc/56/59/38/659565938.db2.gz REMFUFQRYVSGAC-ARKGTOAJSA-N 2 0 305.422 0.472 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001028333516 661461261 /nfs/dbraw/zinc/46/12/61/661461261.db2.gz MQQCKMSUGSHCKR-MRXNPFEDSA-N 2 0 307.438 0.295 20 30 DCEDRP CC[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N(C)Cc1ccon1 ZINC000261745549 661609937 /nfs/dbraw/zinc/60/99/37/661609937.db2.gz LDSZMHHRULXQAH-AWEZNQCLSA-N 2 0 306.414 0.072 20 30 DCEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)NC[C@]1(C)CCCS1 ZINC000261967202 661933753 /nfs/dbraw/zinc/93/37/53/661933753.db2.gz LTNWSXRTKINTSQ-HIFRSBDPSA-N 2 0 313.515 0.683 20 30 DCEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)NCC1(C(=O)N(C)C)CCCC1 ZINC000262575602 662491529 /nfs/dbraw/zinc/49/15/29/662491529.db2.gz ZZAWIZWCGRWVNH-AWEZNQCLSA-N 2 0 323.485 0.752 20 30 DCEDRP CC#CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001000716699 665920771 /nfs/dbraw/zinc/92/07/71/665920771.db2.gz YQXKPYKWVOXUNJ-SJORKVTESA-N 2 0 317.433 0.621 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000900695226 663269372 /nfs/dbraw/zinc/26/93/72/663269372.db2.gz NZPNVRIWRZFSPG-UHFFFAOYSA-N 2 0 310.486 0.884 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000900693186 663272640 /nfs/dbraw/zinc/27/26/40/663272640.db2.gz OGDJYADPHSUMIH-UHFFFAOYSA-N 3 0 310.486 0.979 20 30 DCEDRP C#CC[NH+]1CCC(NC(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000905657803 663571134 /nfs/dbraw/zinc/57/11/34/663571134.db2.gz ZBPKRTLPDRHQRD-UHFFFAOYSA-N 2 0 308.495 0.890 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000911235616 664008974 /nfs/dbraw/zinc/00/89/74/664008974.db2.gz GGCACZBYUOWKPJ-CQSZACIVSA-N 2 0 322.453 0.339 20 30 DCEDRP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991358281 664122273 /nfs/dbraw/zinc/12/22/73/664122273.db2.gz IODPUFQXLRFLQK-PNBKFKSVSA-N 2 0 305.422 0.452 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1CCOC(C)(C)C1 ZINC000170912908 664595475 /nfs/dbraw/zinc/59/54/75/664595475.db2.gz JZVMHFKPKIHFSY-AWEZNQCLSA-N 2 0 311.474 0.486 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCOC)[C@@H]2C)CC1 ZINC000994493561 665116494 /nfs/dbraw/zinc/11/64/94/665116494.db2.gz DTJKKORRUHDXMS-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCC[NH+]1CC(CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001031679232 665285065 /nfs/dbraw/zinc/28/50/65/665285065.db2.gz NUWVTZJELAOBPY-UHFFFAOYSA-N 2 0 305.426 0.682 20 30 DCEDRP C#CC[NH2+][C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1(C)C ZINC000996402269 666782737 /nfs/dbraw/zinc/78/27/37/666782737.db2.gz OQABLWWLVFTITH-HNNXBMFYSA-N 2 0 317.437 0.518 20 30 DCEDRP C#CC[NH2+]C1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000996581188 666822964 /nfs/dbraw/zinc/82/29/64/666822964.db2.gz ZSDJSMKSWQMDCM-UHFFFAOYSA-N 2 0 303.410 0.272 20 30 DCEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000996814487 666922921 /nfs/dbraw/zinc/92/29/21/666922921.db2.gz VVLYEDHGVWUEKW-GULBITTBSA-N 2 0 305.422 0.616 20 30 DCEDRP C=CC[C@]1(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCC[NH2+]1 ZINC000877329097 668602548 /nfs/dbraw/zinc/60/25/48/668602548.db2.gz QUPLEKNGSIWSCG-RHSMWYFYSA-N 2 0 307.438 0.960 20 30 DCEDRP C#CCCN1CC[NH+](CCCN2CC[NH+](CCC#C)CC2)CC1 ZINC000776592178 668878846 /nfs/dbraw/zinc/87/88/46/668878846.db2.gz BUJVUYFSWUUIKK-UHFFFAOYSA-N 2 0 316.493 0.658 20 30 DCEDRP C#CCC[N@@H+]1CCOC2(CCN(C(=O)Cc3cnc[nH]3)CC2)C1 ZINC000949483710 670351100 /nfs/dbraw/zinc/35/11/00/670351100.db2.gz WCJPARCVDIFQIU-UHFFFAOYSA-N 2 0 316.405 0.669 20 30 DCEDRP C[NH+]1CCC(N2CC[C@H](NC(=O)C#CC3CC[NH2+]CC3)C2)CC1 ZINC000852868397 671180327 /nfs/dbraw/zinc/18/03/27/671180327.db2.gz RUBHPYVKRGYILJ-INIZCTEOSA-N 2 0 318.465 0.274 20 30 DCEDRP CN(CCCN1CC[NH+](C)CC1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852885685 671185643 /nfs/dbraw/zinc/18/56/43/671185643.db2.gz RYGLWHDWKJXDDQ-UHFFFAOYSA-N 2 0 306.454 0.085 20 30 DCEDRP C#CC1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000830306015 671622578 /nfs/dbraw/zinc/62/25/78/671622578.db2.gz ZWZYJCDICKITDH-KRWDZBQOSA-N 2 0 321.465 0.805 20 30 DCEDRP COC[C@@H](C)NC(=[NH2+])NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000303792176 685206951 /nfs/dbraw/zinc/20/69/51/685206951.db2.gz YFGSFIQFSDPBKQ-CYBMUJFWSA-N 2 0 320.441 0.273 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958263104 687491553 /nfs/dbraw/zinc/49/15/53/687491553.db2.gz NQBPRDDICJGYBR-ZBFHGGJFSA-N 2 0 314.389 0.933 20 30 DCEDRP C=CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC000958344729 687564106 /nfs/dbraw/zinc/56/41/06/687564106.db2.gz JLFLGRMVMXCMMX-KGLIPLIRSA-N 2 0 307.394 0.550 20 30 DCEDRP C=CC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC000958555762 687742232 /nfs/dbraw/zinc/74/22/32/687742232.db2.gz NNXJHPIRKKJJGG-HZPDHXFCSA-N 2 0 309.454 0.702 20 30 DCEDRP C=CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000958580318 687767172 /nfs/dbraw/zinc/76/71/72/687767172.db2.gz FJTCNNZYMBDZMA-DLBZAZTESA-N 2 0 321.465 0.703 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](C(C)C)C[C@H]2O)CC1 ZINC000958722880 687875752 /nfs/dbraw/zinc/87/57/52/687875752.db2.gz ARMGPMYGEYUSMZ-JKSUJKDBSA-N 2 0 307.438 0.149 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOC)CC[C@@H]2C)CC1 ZINC000968681618 690365053 /nfs/dbraw/zinc/36/50/53/690365053.db2.gz KQGGCSTWVHQBEQ-DOTOQJQBSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](CCCO)C3)CC1 ZINC001073457599 694729011 /nfs/dbraw/zinc/72/90/11/694729011.db2.gz XQXWGQLOIQEIGC-UHFFFAOYSA-N 2 0 319.449 0.248 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]C[C@H](C)O)[C@@H]2C)CC1 ZINC001075128924 694939431 /nfs/dbraw/zinc/93/94/31/694939431.db2.gz KEGQUSGEAQAYNJ-DZKIICNBSA-N 2 0 307.438 0.291 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001570497358 1162531096 /nfs/dbraw/zinc/53/10/96/1162531096.db2.gz CLGLOJCDMDXIBJ-UHFFFAOYSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CC[C@H]2CCCO2)CC1 ZINC001691000551 1157396790 /nfs/dbraw/zinc/39/67/90/1157396790.db2.gz KSYOIOCYQCOKOV-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC#CCOC)C1CC1 ZINC001670480028 1157448395 /nfs/dbraw/zinc/44/83/95/1157448395.db2.gz LSQWJNIKXBTTIZ-SJORKVTESA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001691146435 1157595264 /nfs/dbraw/zinc/59/52/64/1157595264.db2.gz ULMKQVNLGAJBKK-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001691386538 1157659119 /nfs/dbraw/zinc/65/91/19/1157659119.db2.gz XPYHTFKMWSHZNM-JKSUJKDBSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001691415152 1157666905 /nfs/dbraw/zinc/66/69/05/1157666905.db2.gz UGRJHQYLZGTZOD-ZDUSSCGKSA-N 2 0 319.409 0.558 20 30 DCEDRP C=CCC[NH+]1CCN(CCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001691940249 1157777036 /nfs/dbraw/zinc/77/70/36/1157777036.db2.gz MHBDLIKYVNMVAQ-KRWDZBQOSA-N 2 0 322.497 0.980 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001752643261 1158034063 /nfs/dbraw/zinc/03/40/63/1158034063.db2.gz ZLIIDPSQSJMKQV-SHTZXODSSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CCC[NH+](CCO)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001691535757 1158318833 /nfs/dbraw/zinc/31/88/33/1158318833.db2.gz KAZFZGMVDHUKPS-INIZCTEOSA-N 2 0 309.454 0.637 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCO)C2)CC1 ZINC001263932928 1159145833 /nfs/dbraw/zinc/14/58/33/1159145833.db2.gz FSFRGOQWAQYCNN-DOTOQJQBSA-N 2 0 321.465 0.589 20 30 DCEDRP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001566632491 1160101685 /nfs/dbraw/zinc/10/16/85/1160101685.db2.gz CLZOMMJFRHRUBG-HNNXBMFYSA-N 2 0 307.438 0.865 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001566871803 1160173210 /nfs/dbraw/zinc/17/32/10/1160173210.db2.gz LGLYYKITDUNVKB-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001566951548 1160193161 /nfs/dbraw/zinc/19/31/61/1160193161.db2.gz LHCIWOHKSDEWMA-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001568278011 1160618916 /nfs/dbraw/zinc/61/89/16/1160618916.db2.gz LJTFOSYIHILUDT-ZIAGYGMSSA-N 2 0 322.453 0.045 20 30 DCEDRP COCC#CC[NH2+]C/C=C/CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001568969974 1160904693 /nfs/dbraw/zinc/90/46/93/1160904693.db2.gz RTGBYAFJLROGNT-RYIQXIGLSA-N 2 0 307.438 0.771 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001568999814 1160914658 /nfs/dbraw/zinc/91/46/58/1160914658.db2.gz YQSJYTWBQXEWHC-OAHLLOKOSA-N 2 0 307.438 0.607 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C2(CNC(=O)[C@@H](CC)[NH+](C)C)CC2)C1=O ZINC001569405591 1161048331 /nfs/dbraw/zinc/04/83/31/1161048331.db2.gz TXCNCEUZMUZZAZ-UONOGXRCSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@H+](CCC=C)C2)CC1 ZINC001569765049 1161234231 /nfs/dbraw/zinc/23/42/31/1161234231.db2.gz IYXNSQQCNRRMNJ-GOSISDBHSA-N 2 0 319.449 0.461 20 30 DCEDRP C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001569877087 1161290360 /nfs/dbraw/zinc/29/03/60/1161290360.db2.gz BGPCQAXXUJOWBQ-OWCLPIDISA-N 2 0 309.454 0.919 20 30 DCEDRP C#CCC[NH2+][C@H]1CN(C(=O)C2CC[NH+](CC#C)CC2)C[C@H]1C ZINC001570364453 1161581595 /nfs/dbraw/zinc/58/15/95/1161581595.db2.gz UBRJKGUPPCLEGH-WBVHZDCISA-N 2 0 301.434 0.791 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001574848736 1163770673 /nfs/dbraw/zinc/77/06/73/1163770673.db2.gz DYMQWCRWQZWZFE-ZDUSSCGKSA-N 2 0 309.410 0.296 20 30 DCEDRP CC#CC[C@@H]([NH3+])C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001574961984 1163820842 /nfs/dbraw/zinc/82/08/42/1163820842.db2.gz CHQYQAITZRLHMY-MRXNPFEDSA-N 2 0 307.438 0.831 20 30 DCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@H](O)C[NH3+] ZINC001578417253 1165007102 /nfs/dbraw/zinc/00/71/02/1165007102.db2.gz SXSXMWBPOWWUKK-HNNXBMFYSA-N 2 0 304.394 0.158 20 30 DCEDRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCC#CC[NH+](C)C ZINC001579828006 1165404988 /nfs/dbraw/zinc/40/49/88/1165404988.db2.gz YFCVIXNZPZKDJX-AWEZNQCLSA-N 2 0 303.410 0.411 20 30 DCEDRP N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CCC1 ZINC001580038203 1165481373 /nfs/dbraw/zinc/48/13/73/1165481373.db2.gz HJHVXGYRJAHNOU-CABCVRRESA-N 2 0 318.425 0.819 20 30 DCEDRP C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCN1CCC([NH3+])CC1 ZINC001646789595 1172533401 /nfs/dbraw/zinc/53/34/01/1172533401.db2.gz NMJHVUODLKKJBH-ZDUSSCGKSA-N 2 0 316.405 0.865 20 30 DCEDRP C=CCN1CC[C@@H](N2CC[C@@H]2CN(C)C(=O)CC[NH+](C)C)C1=O ZINC001656088555 1173835422 /nfs/dbraw/zinc/83/54/22/1173835422.db2.gz LQZFOAFRMBVBJQ-HUUCEWRRSA-N 2 0 322.453 0.258 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001656234723 1173855289 /nfs/dbraw/zinc/85/52/89/1173855289.db2.gz JYVXNSDYJJCBQX-JYJNAYRXSA-N 2 0 307.438 0.462 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001661510423 1174132412 /nfs/dbraw/zinc/13/24/12/1174132412.db2.gz AYASUESXMLRNEF-AJNGGQMLSA-N 2 0 322.453 0.398 20 30 DCEDRP C=CCOCC[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001665676417 1174549662 /nfs/dbraw/zinc/54/96/62/1174549662.db2.gz KZUDHQYKQLMRLR-OAHLLOKOSA-N 2 0 307.438 0.818 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001666417667 1174602650 /nfs/dbraw/zinc/60/26/50/1174602650.db2.gz JTPXZVHBLBRJFA-SJORKVTESA-N 2 0 319.449 0.559 20 30 DCEDRP C#CCC[NH2+][C@@H](CNC(=O)COC1CC[NH+](C)CC1)C(C)C ZINC001667508710 1174687139 /nfs/dbraw/zinc/68/71/39/1174687139.db2.gz NCJDACUEPMYDQN-INIZCTEOSA-N 2 0 309.454 0.851 20 30 DCEDRP CCC[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001667923955 1174733267 /nfs/dbraw/zinc/73/32/67/1174733267.db2.gz GATXQYPAMYGRGX-KRWDZBQOSA-N 2 0 317.433 0.447 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC[C@@H]2CCCO2)CC1 ZINC001669751032 1174947237 /nfs/dbraw/zinc/94/72/37/1174947237.db2.gz WCSJGDFZTUJIRR-RDJZCZTQSA-N 2 0 321.465 0.995 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CCOCC1 ZINC001671952079 1175048025 /nfs/dbraw/zinc/04/80/25/1175048025.db2.gz ALKCTXZCCCGWDA-KRWDZBQOSA-N 2 0 319.449 0.751 20 30 DCEDRP C=CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001672018517 1175062989 /nfs/dbraw/zinc/06/29/89/1175062989.db2.gz GVEVVJGIGCXMHE-DOTOQJQBSA-N 2 0 309.454 0.847 20 30 DCEDRP C=C(C)C[NH2+]C1CCN(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001672468467 1175109957 /nfs/dbraw/zinc/10/99/57/1175109957.db2.gz QYLOOXFMIPGRGV-UHFFFAOYSA-N 2 0 320.481 0.829 20 30 DCEDRP C=CC[NH2+]C1CCN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001672464554 1175110041 /nfs/dbraw/zinc/11/00/41/1175110041.db2.gz RHZYRJPPXSAVSA-MRXNPFEDSA-N 2 0 310.486 0.929 20 30 DCEDRP CC#CC[NH2+]C1(C)CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001673997341 1175244540 /nfs/dbraw/zinc/24/45/40/1175244540.db2.gz QCZMTGWRZWNAHI-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001674771905 1175298180 /nfs/dbraw/zinc/29/81/80/1175298180.db2.gz CLOWMXCENTWWOA-GJZGRUSLSA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCOCC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001675545739 1175371177 /nfs/dbraw/zinc/37/11/77/1175371177.db2.gz RBBMWHUMYFZFQE-LUKYLMHMSA-N 2 0 321.465 0.825 20 30 DCEDRP COCC#CC[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001675673895 1175384057 /nfs/dbraw/zinc/38/40/57/1175384057.db2.gz XQTVUKSGKKRKJU-UHFFFAOYSA-N 2 0 307.438 0.512 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC001677032778 1175513332 /nfs/dbraw/zinc/51/33/32/1175513332.db2.gz LHANGAHBXZWYAE-OAHLLOKOSA-N 2 0 319.449 0.559 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1OCC ZINC001689074511 1176689682 /nfs/dbraw/zinc/68/96/82/1176689682.db2.gz GFBGNWLLXZXZOU-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[N@H+](C)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001689890955 1177105142 /nfs/dbraw/zinc/10/51/42/1177105142.db2.gz KYAYNPNBWRWLOJ-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001690159101 1177182818 /nfs/dbraw/zinc/18/28/18/1177182818.db2.gz UFHHQWKXXOYSOC-HZPDHXFCSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](C)OC)C2)CC1 ZINC001690300184 1177211071 /nfs/dbraw/zinc/21/10/71/1177211071.db2.gz SQZSXWDJOQNAGZ-BPUTZDHNSA-N 2 0 307.438 0.603 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001690336959 1177217252 /nfs/dbraw/zinc/21/72/52/1177217252.db2.gz YDZYGURMYKIDIX-OWCLPIDISA-N 2 0 307.438 0.746 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001690649388 1177295026 /nfs/dbraw/zinc/29/50/26/1177295026.db2.gz WWCXUOPNCRZMEM-INIZCTEOSA-N 2 0 309.454 0.997 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001690785674 1177324855 /nfs/dbraw/zinc/32/48/55/1177324855.db2.gz XBCMHHNJTQDRPJ-HUUCEWRRSA-N 2 0 322.453 0.095 20 30 DCEDRP C=C(C)C[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001692046576 1177409262 /nfs/dbraw/zinc/40/92/62/1177409262.db2.gz WVHKXRAANMGLTO-INIZCTEOSA-N 2 0 309.454 0.944 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001692131580 1177422527 /nfs/dbraw/zinc/42/25/27/1177422527.db2.gz DWFVXPZFOPHUQZ-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001692232814 1177453324 /nfs/dbraw/zinc/45/33/24/1177453324.db2.gz XIDBRHUYYHBHTA-OAGGEKHMSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+]CCCO)CCCC2)CC1 ZINC001698635798 1177595654 /nfs/dbraw/zinc/59/56/54/1177595654.db2.gz FPAOFFZRTUKCLB-UHFFFAOYSA-N 2 0 321.465 0.733 20 30 DCEDRP COCC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001699316718 1178060756 /nfs/dbraw/zinc/06/07/56/1178060756.db2.gz UWJYWFWCAGSZBA-SNSIWUOESA-N 2 0 319.449 0.915 20 30 DCEDRP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](CCCO)CC1 ZINC001699791228 1178287259 /nfs/dbraw/zinc/28/72/59/1178287259.db2.gz ZNDDHVDJXZKXST-UHFFFAOYSA-N 2 0 309.454 0.635 20 30 DCEDRP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001699878920 1178327731 /nfs/dbraw/zinc/32/77/31/1178327731.db2.gz DXPOZRXNMBSYQE-WMZOPIPTSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@@H+](CCCC)C2)CC1 ZINC001699906578 1178360710 /nfs/dbraw/zinc/36/07/10/1178360710.db2.gz HERBTXCOKHKLSB-SFHVURJKSA-N 2 0 321.465 0.685 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001700016952 1178431190 /nfs/dbraw/zinc/43/11/90/1178431190.db2.gz LQEXHRVSZLFUAC-GVDBMIGSSA-N 2 0 319.449 0.653 20 30 DCEDRP C=CCOCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001700089081 1178475138 /nfs/dbraw/zinc/47/51/38/1178475138.db2.gz TYVSMUJKXXYZES-HZPDHXFCSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CCCC[NH+]1CCC(CO)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001700338562 1178586531 /nfs/dbraw/zinc/58/65/31/1178586531.db2.gz BRZWNGVPWVUNHL-UHFFFAOYSA-N 2 0 309.454 0.992 20 30 DCEDRP C=CCOCC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001700546238 1178653618 /nfs/dbraw/zinc/65/36/18/1178653618.db2.gz OSWVQCFONVQJQG-LSDHHAIUSA-N 2 0 309.454 0.967 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001700831939 1178768776 /nfs/dbraw/zinc/76/87/76/1178768776.db2.gz ZUHYHCGEIWYZPH-IAGOWNOFSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001700947247 1178823901 /nfs/dbraw/zinc/82/39/01/1178823901.db2.gz OOQVDIWQDIGHGR-LSDHHAIUSA-N 2 0 309.454 0.967 20 30 DCEDRP C=CCOCC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001700947244 1178824262 /nfs/dbraw/zinc/82/42/62/1178824262.db2.gz OOQVDIWQDIGHGR-CABCVRRESA-N 2 0 309.454 0.967 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001707075626 1180410927 /nfs/dbraw/zinc/41/09/27/1180410927.db2.gz ICGVVKLGLABSKL-ZQDZILKHSA-N 2 0 322.453 0.113 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]C[C@H](C)O)C2)CC1 ZINC001713364062 1180786642 /nfs/dbraw/zinc/78/66/42/1180786642.db2.gz HOWTUOBQVNNSMH-GJZGRUSLSA-N 2 0 307.438 0.151 20 30 DCEDRP CC#CC[NH2+]C[C@@H](C)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001714390434 1181346694 /nfs/dbraw/zinc/34/66/94/1181346694.db2.gz FXDDGVQTNRCRIR-CQSZACIVSA-N 2 0 305.426 0.424 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001714542154 1181408490 /nfs/dbraw/zinc/40/84/90/1181408490.db2.gz QTDCGBVGLIVCGS-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@H+](C)CCO)C2)CC1 ZINC001714909917 1181597872 /nfs/dbraw/zinc/59/78/72/1181597872.db2.gz SNTBTUPJMWWJME-HNNXBMFYSA-N 2 0 307.438 0.104 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@](C)(C[NH2+]C[C@@H](C)O)C2CC2)CC1 ZINC001715123703 1181695082 /nfs/dbraw/zinc/69/50/82/1181695082.db2.gz JVIBZHOEHHMYLY-KDOFPFPSSA-N 2 0 321.465 0.587 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001715415175 1181806369 /nfs/dbraw/zinc/80/63/69/1181806369.db2.gz LRABHTKGMGKAIC-HUUCEWRRSA-N 2 0 322.453 0.211 20 30 DCEDRP CC[N@H+](C)CCC(=O)NC[C@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001715609746 1181896010 /nfs/dbraw/zinc/89/60/10/1181896010.db2.gz UQNILIDBQJLJEF-QGZVFWFLSA-N 2 0 317.433 0.447 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CC2CCOCC2)CC1 ZINC001715961733 1182121510 /nfs/dbraw/zinc/12/15/10/1182121510.db2.gz FUPMWKRMSSGWJZ-OAHLLOKOSA-N 2 0 321.465 0.853 20 30 DCEDRP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001716920099 1182575221 /nfs/dbraw/zinc/57/52/21/1182575221.db2.gz NYCUSIUNIHILHY-HOCLYGCPSA-N 2 0 313.417 0.243 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001717253339 1182750795 /nfs/dbraw/zinc/75/07/95/1182750795.db2.gz YBJZWNJGCRDBHK-SFHVURJKSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC001717277869 1182763495 /nfs/dbraw/zinc/76/34/95/1182763495.db2.gz BHHGGTHXZYROGK-GOEBONIOSA-N 2 0 317.437 0.518 20 30 DCEDRP COCC#CC[NH2+]CC1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001717386403 1182813716 /nfs/dbraw/zinc/81/37/16/1182813716.db2.gz IQZKXZUBKVQOQG-UHFFFAOYSA-N 2 0 319.449 0.749 20 30 DCEDRP C#CC[NH2+]CCCOC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001717519309 1182879757 /nfs/dbraw/zinc/87/97/57/1182879757.db2.gz SYMCLNRLUQYEHI-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](CCCOC)C2)CC1 ZINC001717564622 1182902037 /nfs/dbraw/zinc/90/20/37/1182902037.db2.gz JVVNGYPYRNQKLW-HNNXBMFYSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001717613143 1182924919 /nfs/dbraw/zinc/92/49/19/1182924919.db2.gz MMRNTXLGJDOGDP-CABCVRRESA-N 2 0 307.438 0.700 20 30 DCEDRP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001717695097 1182956258 /nfs/dbraw/zinc/95/62/58/1182956258.db2.gz AFWRGADCVNNKJP-CVEARBPZSA-N 2 0 309.454 0.853 20 30 DCEDRP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001717695099 1182956514 /nfs/dbraw/zinc/95/65/14/1182956514.db2.gz AFWRGADCVNNKJP-HZPDHXFCSA-N 2 0 309.454 0.853 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001717821048 1183016658 /nfs/dbraw/zinc/01/66/58/1183016658.db2.gz ABRDJXPKNWZLPD-ZBFHGGJFSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]C[C@@H](C)O)CC1 ZINC001723981571 1184366001 /nfs/dbraw/zinc/36/60/01/1184366001.db2.gz HGNZTADVJVRJSX-ZBFHGGJFSA-N 2 0 307.438 0.293 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001724690751 1184523592 /nfs/dbraw/zinc/52/35/92/1184523592.db2.gz YRGQNFGJDCZMNE-CVEARBPZSA-N 2 0 309.454 0.541 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)Cn2ccnc2C(C)C)CC1 ZINC001725022090 1184659663 /nfs/dbraw/zinc/65/96/63/1184659663.db2.gz HQFZLZWUYUVLDP-UHFFFAOYSA-N 2 0 318.421 0.583 20 30 DCEDRP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001725356144 1184784024 /nfs/dbraw/zinc/78/40/24/1184784024.db2.gz AZVLNLBUJKERMY-SHTZXODSSA-N 2 0 317.437 0.566 20 30 DCEDRP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001725715357 1184964906 /nfs/dbraw/zinc/96/49/06/1184964906.db2.gz FPFQIQDIKQRNHS-JKSUJKDBSA-N 2 0 309.454 0.635 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001731528164 1185376069 /nfs/dbraw/zinc/37/60/69/1185376069.db2.gz XQLJMPCGGHWAQT-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001731911342 1185567583 /nfs/dbraw/zinc/56/75/83/1185567583.db2.gz OGGXXRGPLTXVPF-MGPQQGTHSA-N 2 0 310.442 0.065 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC#CCOC ZINC001732374465 1185784412 /nfs/dbraw/zinc/78/44/12/1185784412.db2.gz WMZDSKXODVWAMR-JKSUJKDBSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](C[C@H](C)O)CC1 ZINC001733367301 1186241959 /nfs/dbraw/zinc/24/19/59/1186241959.db2.gz YCYQMCUREVUJFJ-HOCLYGCPSA-N 2 0 307.438 0.388 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001733481156 1186288945 /nfs/dbraw/zinc/28/89/45/1186288945.db2.gz ZPOHJYILAXYGGS-NVXWUHKLSA-N 2 0 307.438 0.457 20 30 DCEDRP C#CCC[N@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001733491999 1186300925 /nfs/dbraw/zinc/30/09/25/1186300925.db2.gz JMOUICDPTZGZEE-KRWDZBQOSA-N 2 0 307.438 0.439 20 30 DCEDRP C=CCOCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001733582041 1186341600 /nfs/dbraw/zinc/34/16/00/1186341600.db2.gz XXJSVHFULWAFCJ-HRCADAONSA-N 2 0 307.438 0.531 20 30 DCEDRP COCC#CC[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001733867452 1186481557 /nfs/dbraw/zinc/48/15/57/1186481557.db2.gz KUUXVMZGHXMZFR-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001734185710 1186573213 /nfs/dbraw/zinc/57/32/13/1186573213.db2.gz XOYURJULEJQZNQ-GJZGRUSLSA-N 2 0 305.422 0.311 20 30 DCEDRP C#CCC[NH+]1CCN(CCCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001752343971 1188415260 /nfs/dbraw/zinc/41/52/60/1188415260.db2.gz LHUBFFJRFSZTMC-UHFFFAOYSA-N 2 0 320.481 0.618 20 30 DCEDRP C#CCC[NH+]1CCN(CCCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001752357289 1188417214 /nfs/dbraw/zinc/41/72/14/1188417214.db2.gz RFMPHAPZGUZXFE-UHFFFAOYSA-N 2 0 308.470 0.474 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001752872176 1188452781 /nfs/dbraw/zinc/45/27/81/1188452781.db2.gz AZFWNOWIFUZXDM-KBPBESRZSA-N 2 0 310.442 0.256 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001752959328 1188468202 /nfs/dbraw/zinc/46/82/02/1188468202.db2.gz QICYVHAZLFIDCC-GJZGRUSLSA-N 2 0 322.453 0.069 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H](CC)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001753495818 1188609588 /nfs/dbraw/zinc/60/95/88/1188609588.db2.gz YRODCJYRPMGYSJ-CABCVRRESA-N 2 0 322.453 0.354 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001753922696 1188683453 /nfs/dbraw/zinc/68/34/53/1188683453.db2.gz UKCNSWBEYXCAQI-MRXNPFEDSA-N 2 0 309.454 0.731 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C1 ZINC001754600220 1188887190 /nfs/dbraw/zinc/88/71/90/1188887190.db2.gz ZROBRARLUCNBCL-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[N@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001755038077 1189003832 /nfs/dbraw/zinc/00/38/32/1189003832.db2.gz MAUKWWZBSAGXMM-UHFFFAOYSA-N 2 0 309.454 0.901 20 30 DCEDRP CN1CC[NH+](C2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)CC1 ZINC001578533583 1165048443 /nfs/dbraw/zinc/04/84/43/1165048443.db2.gz OCVYOSFYFQHJKI-OAHLLOKOSA-N 2 0 307.442 0.246 20 30 DCEDRP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001077553950 751457912 /nfs/dbraw/zinc/45/79/12/751457912.db2.gz WFCBXBKFVTXJOP-ARFHVFGLSA-N 2 0 307.438 0.293 20 30 DCEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106983832 751709021 /nfs/dbraw/zinc/70/90/21/751709021.db2.gz LXWGOASCYFEAHZ-HZPDHXFCSA-N 2 0 309.454 0.969 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001098561662 747346018 /nfs/dbraw/zinc/34/60/18/747346018.db2.gz LKHVHZHMIMLCCO-UHFFFAOYSA-N 2 0 307.438 0.391 20 30 DCEDRP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001083284209 747859324 /nfs/dbraw/zinc/85/93/24/747859324.db2.gz WYQJUKJTCJAQLW-DLBZAZTESA-N 2 0 319.449 0.797 20 30 DCEDRP C#CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001098723596 749303885 /nfs/dbraw/zinc/30/38/85/749303885.db2.gz YOTFKVPUPLNHMF-OAHLLOKOSA-N 2 0 318.425 0.116 20 30 DCEDRP C#CC[NH2+]CC1(CCNC(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC001168307412 749907151 /nfs/dbraw/zinc/90/71/51/749907151.db2.gz HAHVCLYMIMBLSK-UHFFFAOYSA-N 2 0 301.434 0.841 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105946452 750595451 /nfs/dbraw/zinc/59/54/51/750595451.db2.gz UJTMFONMEMVSND-BZUAXINKSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001106681045 751227923 /nfs/dbraw/zinc/22/79/23/751227923.db2.gz SBLIHFICAPBKTP-IXDOHACOSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001106840619 751307593 /nfs/dbraw/zinc/30/75/93/751307593.db2.gz XKRBGJMKLBCZOF-HUUCEWRRSA-N 2 0 324.469 0.315 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](C[C@H](C)O)CC2)CC1 ZINC001045646425 753277789 /nfs/dbraw/zinc/27/77/89/753277789.db2.gz IXXLLMOEPICDIZ-HNNXBMFYSA-N 2 0 321.465 0.683 20 30 DCEDRP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001046035093 753437684 /nfs/dbraw/zinc/43/76/84/753437684.db2.gz DIYHODFSCHJDFX-QGZVFWFLSA-N 2 0 320.481 0.875 20 30 DCEDRP C#CCC[N@H+]1CC[C@](C)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001046697030 753881724 /nfs/dbraw/zinc/88/17/24/753881724.db2.gz ZQHUUELSBMZCGO-KRWDZBQOSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](C[C@H](C)OC)C2)CC1 ZINC001046850023 753979229 /nfs/dbraw/zinc/97/92/29/753979229.db2.gz NQIZIRGUSAXGCI-YJBOKZPZSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001047636458 754451416 /nfs/dbraw/zinc/45/14/16/754451416.db2.gz NKGPSUZHYIHQKT-IRXDYDNUSA-N 2 0 315.417 0.499 20 30 DCEDRP C=CCN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129220225 754570539 /nfs/dbraw/zinc/57/05/39/754570539.db2.gz SDWOJLSYRHOJAH-KGLIPLIRSA-N 2 0 318.425 0.147 20 30 DCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C[C@H]2C1 ZINC001048860443 754984250 /nfs/dbraw/zinc/98/42/50/754984250.db2.gz USCDWPFYABNLHW-ZACQAIPSSA-N 2 0 303.450 0.988 20 30 DCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4[nH]c(C)nc4C3)C[C@H]2C1 ZINC001048904494 755008501 /nfs/dbraw/zinc/00/85/01/755008501.db2.gz UFMIFEUAUCIGRI-SOUVJXGZSA-N 2 0 312.417 0.846 20 30 DCEDRP C=CC[N@@H+]1C[C@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]2C1 ZINC001049109427 755120711 /nfs/dbraw/zinc/12/07/11/755120711.db2.gz QHMJBNKZLQXAMQ-IYBDPMFKSA-N 2 0 317.437 0.635 20 30 DCEDRP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CN(C)CCO1 ZINC001049391474 755247576 /nfs/dbraw/zinc/24/75/76/755247576.db2.gz LSTWLAKMLLXAMA-BZUAXINKSA-N 2 0 307.438 0.958 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCO)CC2)CC1 ZINC001052952401 755883758 /nfs/dbraw/zinc/88/37/58/755883758.db2.gz DEZQMHUQXXWADM-QGZVFWFLSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001050521994 757792539 /nfs/dbraw/zinc/79/25/39/757792539.db2.gz YGYGBEMOCJYCNO-MRXNPFEDSA-N 2 0 301.434 0.886 20 30 DCEDRP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001052081947 759165334 /nfs/dbraw/zinc/16/53/34/759165334.db2.gz GTOXMWKPXKSFGE-IRXDYDNUSA-N 2 0 320.481 0.568 20 30 DCEDRP C=CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117601 759191136 /nfs/dbraw/zinc/19/11/36/759191136.db2.gz VAFIZHNFYVZKCC-IRXDYDNUSA-N 2 0 320.481 0.733 20 30 DCEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731617 759246235 /nfs/dbraw/zinc/24/62/35/759246235.db2.gz GKDUZQIKPKQICB-LPMVOBIJSA-N 2 0 317.433 0.406 20 30 DCEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731615 759246541 /nfs/dbraw/zinc/24/65/41/759246541.db2.gz GKDUZQIKPKQICB-BNQMIIOLSA-N 2 0 317.433 0.406 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCOC)CC1 ZINC001085984381 759549077 /nfs/dbraw/zinc/54/90/77/759549077.db2.gz BJOJKWQUHMJZJQ-INIZCTEOSA-N 2 0 307.438 0.511 20 30 DCEDRP C=CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001098408158 759723987 /nfs/dbraw/zinc/72/39/87/759723987.db2.gz GTKJGJVVTINMAN-INIZCTEOSA-N 2 0 309.454 0.942 20 30 DCEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100125070 760445775 /nfs/dbraw/zinc/44/57/75/760445775.db2.gz RJBKBPQZYQUDJC-HZPDHXFCSA-N 2 0 307.438 0.437 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001148292805 767960314 /nfs/dbraw/zinc/96/03/14/767960314.db2.gz UPCMOJMWTSGXHE-CVEARBPZSA-N 2 0 319.449 0.368 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001169948403 760937334 /nfs/dbraw/zinc/93/73/34/760937334.db2.gz NTRZYFXKMUDCTQ-UHFFFAOYSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CCOCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148748583 768035644 /nfs/dbraw/zinc/03/56/44/768035644.db2.gz VFRGRIAWZDRVBY-HNNXBMFYSA-N 2 0 307.438 0.675 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC[NH2+]CCn1cc(Cl)cn1 ZINC001129770571 763006705 /nfs/dbraw/zinc/00/67/05/763006705.db2.gz IZXDJCISNPFLDU-AWEZNQCLSA-N 2 0 323.828 0.340 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CC#CCOC)C2)CC[N@@H+]1C ZINC001100344772 763508403 /nfs/dbraw/zinc/50/84/03/763508403.db2.gz FIUPBIKBJKOLNZ-SJJHQCBESA-N 2 0 321.465 0.851 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001100408143 763557817 /nfs/dbraw/zinc/55/78/17/763557817.db2.gz WNPZOCVOPRGEIE-AVVWSFFYSA-N 2 0 307.438 0.461 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100638327 763695803 /nfs/dbraw/zinc/69/58/03/763695803.db2.gz HABQSZGFUQJCSA-HSBZDZAISA-N 2 0 310.442 0.113 20 30 DCEDRP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001131597115 763883415 /nfs/dbraw/zinc/88/34/15/763883415.db2.gz MHVMWBBKYRBNRA-AEFFLSMTSA-N 2 0 321.465 0.947 20 30 DCEDRP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CC#CCOC)C[C@@]2(C)C1)[NH+](C)C ZINC001101277503 764035421 /nfs/dbraw/zinc/03/54/21/764035421.db2.gz KNEDYEHJFZOXQJ-NUJGCVRESA-N 2 0 321.465 0.757 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131845280 764064051 /nfs/dbraw/zinc/06/40/51/764064051.db2.gz VRSUVLFHKCFSOI-AWEZNQCLSA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132893320 764713144 /nfs/dbraw/zinc/71/31/44/764713144.db2.gz NKPTWZLGYZUYDW-IHRRRGAJSA-N 2 0 310.442 0.113 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C ZINC001133091959 764823372 /nfs/dbraw/zinc/82/33/72/764823372.db2.gz WVFNXPYUNLSBLG-CABCVRRESA-N 2 0 324.469 0.315 20 30 DCEDRP COc1ccc(C[NH2+]CCNC(=O)CC[NH+](C)C)cc1C#N ZINC001133294782 764911093 /nfs/dbraw/zinc/91/10/93/764911093.db2.gz UDDMJWIHDRAQNO-UHFFFAOYSA-N 2 0 304.394 0.724 20 30 DCEDRP C=C(Br)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133867857 765193938 /nfs/dbraw/zinc/19/39/38/765193938.db2.gz XVYRJJRAGHCRNO-GXSJLCMTSA-N 2 0 304.232 0.799 20 30 DCEDRP C=C(Br)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133867859 765194145 /nfs/dbraw/zinc/19/41/45/765194145.db2.gz XVYRJJRAGHCRNO-MWLCHTKSSA-N 2 0 304.232 0.799 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134759338 765658059 /nfs/dbraw/zinc/65/80/59/765658059.db2.gz MHUXRXRAJCKUIF-LSDHHAIUSA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135743906 766085857 /nfs/dbraw/zinc/08/58/57/766085857.db2.gz RHDAZSBXPKHJSU-ZIAGYGMSSA-N 2 0 312.458 0.503 20 30 DCEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001135805311 766124515 /nfs/dbraw/zinc/12/45/15/766124515.db2.gz XPFSRNNGDPJOPD-LSDHHAIUSA-N 2 0 309.454 0.993 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938617 766177306 /nfs/dbraw/zinc/17/73/06/766177306.db2.gz MCBQRDDNADXDFU-ZIAGYGMSSA-N 2 0 322.453 0.257 20 30 DCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001118322681 766288082 /nfs/dbraw/zinc/28/80/82/766288082.db2.gz NGHDOGOEJSSWPQ-CABCVRRESA-N 2 0 308.426 0.578 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090573814 766328480 /nfs/dbraw/zinc/32/84/80/766328480.db2.gz PAXVDLYMMLRNLX-HUUCEWRRSA-N 2 0 309.454 0.846 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](O)C1 ZINC001090673622 766457623 /nfs/dbraw/zinc/45/76/23/766457623.db2.gz LQJMFNGSQPMONF-JKSUJKDBSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CCN(C(=O)C[NH+]1CCC(CO)CC1)C1CC[NH+](C)CC1 ZINC001120701490 767148807 /nfs/dbraw/zinc/14/88/07/767148807.db2.gz MAVHCAKRZLHKQE-UHFFFAOYSA-N 2 0 307.438 0.247 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147211848 767674589 /nfs/dbraw/zinc/67/45/89/767674589.db2.gz HTXLUECKVAJJNZ-HNNXBMFYSA-N 2 0 305.422 0.265 20 30 DCEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCN(CC[NH3+])N(O)N=O ZINC001172300579 769467143 /nfs/dbraw/zinc/46/71/43/769467143.db2.gz XFXRCTQYSKUGNC-LBPRGKRZSA-N 2 0 306.370 0.627 20 30 DCEDRP COCC#CC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001152479115 769572671 /nfs/dbraw/zinc/57/26/71/769572671.db2.gz CBBHWLRBWKCQFE-INIZCTEOSA-N 2 0 309.454 0.853 20 30 DCEDRP N#Cc1ccc(C(=O)N2CCC([NH2+]C[C@H](O)C[NH3+])CC2)cc1 ZINC001173422795 769624784 /nfs/dbraw/zinc/62/47/84/769624784.db2.gz VZRILGUGBYXTGN-OAHLLOKOSA-N 2 0 302.378 0.072 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCCn1ccnc1 ZINC001153356381 769797221 /nfs/dbraw/zinc/79/72/21/769797221.db2.gz NZZPZQAYAJXXEZ-CYBMUJFWSA-N 2 0 307.398 0.060 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001175057167 769849081 /nfs/dbraw/zinc/84/90/81/769849081.db2.gz VKHNQHNFGKORRF-CQSZACIVSA-N 2 0 312.458 0.505 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176103332 770036165 /nfs/dbraw/zinc/03/61/65/770036165.db2.gz WUFLBGKEKSNBKT-UHFFFAOYSA-N 2 0 324.469 0.603 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCC[C@H](C)O)CC1 ZINC001176926179 770225800 /nfs/dbraw/zinc/22/58/00/770225800.db2.gz IDBOSCKRNRNKHO-HNNXBMFYSA-N 2 0 309.454 0.589 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)C[N@@H+](C)CCC ZINC001180123505 771064904 /nfs/dbraw/zinc/06/49/04/771064904.db2.gz GAYBMEQSAMWMRN-UHFFFAOYSA-N 2 0 324.469 0.344 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001182623663 771515569 /nfs/dbraw/zinc/51/55/69/771515569.db2.gz RXQVTDNUQANKMP-CVEARBPZSA-N 2 0 305.422 0.169 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001157899043 771689237 /nfs/dbraw/zinc/68/92/37/771689237.db2.gz IAIOEWZIKMOZNN-GJZGRUSLSA-N 2 0 322.453 0.093 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001185609229 771935202 /nfs/dbraw/zinc/93/52/02/771935202.db2.gz GNDHWFCCXKYIKQ-HUUCEWRRSA-N 2 0 324.469 0.600 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001186082925 771991893 /nfs/dbraw/zinc/99/18/93/771991893.db2.gz OMJRLUBVXTVQGF-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001160267710 772015496 /nfs/dbraw/zinc/01/54/96/772015496.db2.gz QMIBXJGKDHYOPT-AWEZNQCLSA-N 2 0 310.442 0.259 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC12CCOCC2 ZINC001186545570 772059460 /nfs/dbraw/zinc/05/94/60/772059460.db2.gz NCIGLFDWMAOZBM-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160648392 772086392 /nfs/dbraw/zinc/08/63/92/772086392.db2.gz CGKIAEBLCKMNPX-SOUVJXGZSA-N 2 0 304.369 0.716 20 30 DCEDRP CO[C@@H]1CN(C(=O)C[C@@H]([NH3+])Cc2ccccc2C#N)C[C@@H]1[NH3+] ZINC001161492497 772233607 /nfs/dbraw/zinc/23/36/07/772233607.db2.gz PXTIBTJMWRCOLI-SOUVJXGZSA-N 2 0 302.378 0.003 20 30 DCEDRP C[NH+]1CCC(C#N)(Nc2cncc(N3CC[NH2+]CC3)n2)CC1 ZINC001162226820 772344537 /nfs/dbraw/zinc/34/45/37/772344537.db2.gz AUHFLXYSWYQZDD-UHFFFAOYSA-N 2 0 301.398 0.286 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)[C@H](C2CC2)[NH+](C)C)(COC)CC1 ZINC001162301131 772355461 /nfs/dbraw/zinc/35/54/61/772355461.db2.gz UJWJDGGWAURAIF-INIZCTEOSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)(COC)CC1 ZINC001162604120 772396125 /nfs/dbraw/zinc/39/61/25/772396125.db2.gz HVEBVUUXGMQVLZ-HNNXBMFYSA-N 2 0 309.454 0.969 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001163290685 772500302 /nfs/dbraw/zinc/50/03/02/772500302.db2.gz NZLKKNXSPJERND-UHFFFAOYSA-N 2 0 309.454 0.997 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164574219 772682663 /nfs/dbraw/zinc/68/26/63/772682663.db2.gz BTCGGJHWBNKZPW-KBPBESRZSA-N 2 0 310.442 0.115 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)c1occc1C[NH+](C)C ZINC001165246845 772710636 /nfs/dbraw/zinc/71/06/36/772710636.db2.gz USVSSXWBFRWSMS-UHFFFAOYSA-N 2 0 322.409 0.353 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001165728322 772758554 /nfs/dbraw/zinc/75/85/54/772758554.db2.gz PQIBULUEFXKKLH-CQSZACIVSA-N 2 0 324.469 0.505 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1=O ZINC001166677120 772838289 /nfs/dbraw/zinc/83/82/89/772838289.db2.gz FVXYCLKVEVXFLX-CABCVRRESA-N 2 0 322.453 0.211 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001191966684 772853803 /nfs/dbraw/zinc/85/38/03/772853803.db2.gz AIHADDOKRZJILX-YESZJQIVSA-N 2 0 321.465 0.899 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203349369 772905022 /nfs/dbraw/zinc/90/50/22/772905022.db2.gz IHMQOLUCIFZMTE-UONOGXRCSA-N 2 0 322.453 0.257 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192948010 772977227 /nfs/dbraw/zinc/97/72/27/772977227.db2.gz NKXZPSWROHKCJD-GJZGRUSLSA-N 2 0 324.469 0.552 20 30 DCEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001206930033 773138435 /nfs/dbraw/zinc/13/84/35/773138435.db2.gz PFZWQKZOVZRCMS-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001208063831 773391214 /nfs/dbraw/zinc/39/12/14/773391214.db2.gz WUMMBQVZOGJAHT-SJORKVTESA-N 2 0 319.449 0.559 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001208424014 773457415 /nfs/dbraw/zinc/45/74/15/773457415.db2.gz SLGIOUYAZAVOFR-GJZGRUSLSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001208424015 773457793 /nfs/dbraw/zinc/45/77/93/773457793.db2.gz SLGIOUYAZAVOFR-HUUCEWRRSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001209483963 773608914 /nfs/dbraw/zinc/60/89/14/773608914.db2.gz CPFINWUVBAMURT-GOEBONIOSA-N 2 0 324.469 0.455 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001197017766 773677313 /nfs/dbraw/zinc/67/73/13/773677313.db2.gz HTURHDBQORBWIG-OAGGEKHMSA-N 2 0 309.454 0.537 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210217471 773686378 /nfs/dbraw/zinc/68/63/78/773686378.db2.gz IXICCNHNZMYIQG-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@H]2CC[C@H](C)O2)CC1 ZINC001152324570 773726950 /nfs/dbraw/zinc/72/69/50/773726950.db2.gz XDLOHETVSQIQRS-GOEBONIOSA-N 2 0 307.438 0.605 20 30 DCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211046112 773762892 /nfs/dbraw/zinc/76/28/92/773762892.db2.gz JHRQLGDAGDDSMR-BZUAXINKSA-N 2 0 307.438 0.415 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211089966 773768539 /nfs/dbraw/zinc/76/85/39/773768539.db2.gz DIPJAHFSYNMLAZ-GJZGRUSLSA-N 2 0 322.453 0.354 20 30 DCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211090200 773769724 /nfs/dbraw/zinc/76/97/24/773769724.db2.gz HSIPOSJDESVSFU-HOTGVXAUSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CCOC)C2)CC1 ZINC001211233763 773784489 /nfs/dbraw/zinc/78/44/89/773784489.db2.gz ODFCFAKIVPYCCP-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CCN1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001197817665 773812027 /nfs/dbraw/zinc/81/20/27/773812027.db2.gz OWVRCLKAECFWMK-INIZCTEOSA-N 2 0 307.438 0.512 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446675 773848437 /nfs/dbraw/zinc/84/84/37/773848437.db2.gz REALOCPELMMKID-HUUCEWRRSA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2cncn2C)C1 ZINC001198276293 773890010 /nfs/dbraw/zinc/89/00/10/773890010.db2.gz UCWGNIJZHKMMIP-HUUCEWRRSA-N 2 0 306.410 0.480 20 30 DCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215598948 774084178 /nfs/dbraw/zinc/08/41/78/774084178.db2.gz KXWPSPPIFRRCMQ-IXDOHACOSA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CCN1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370040 774098272 /nfs/dbraw/zinc/09/82/72/774098272.db2.gz HUBPQSAMRSYYFD-HZPDHXFCSA-N 2 0 307.438 0.437 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001216839473 774142220 /nfs/dbraw/zinc/14/22/20/774142220.db2.gz UYHUOZYYVXOACQ-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP N#Cc1c(NC(=O)C[C@]2(O)CCC[NH2+]C2)sc2c1CC[NH2+]C2 ZINC001218552424 774245649 /nfs/dbraw/zinc/24/56/49/774245649.db2.gz FYKORSADHJQMNV-OAHLLOKOSA-N 2 0 320.418 0.709 20 30 DCEDRP N#Cc1c2c(sc1NC(=O)[C@@]13CC[C@@H](N1)[C@H]([NH3+])C3)C[NH2+]CC2 ZINC001218555268 774246194 /nfs/dbraw/zinc/24/61/94/774246194.db2.gz ZGRDZRFWYNGBCM-HFAKWTLXSA-N 2 0 317.418 0.426 20 30 DCEDRP CN1CC[NH2+]C[C@@H]1C(=O)Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC001218554418 774246254 /nfs/dbraw/zinc/24/62/54/774246254.db2.gz YVQZBJOVHRMYLP-LLVKDONJSA-N 2 0 305.407 0.108 20 30 DCEDRP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001218965489 774336833 /nfs/dbraw/zinc/33/68/33/774336833.db2.gz MAIBDXSYNCGTSW-JKSUJKDBSA-N 2 0 319.449 0.960 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CCCO1 ZINC001201063494 774440831 /nfs/dbraw/zinc/44/08/31/774440831.db2.gz UONVFKJCCQMEFR-SJORKVTESA-N 2 0 319.449 0.701 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201871186 774570052 /nfs/dbraw/zinc/57/00/52/774570052.db2.gz HFBUJEMEQGCEBP-HNNXBMFYSA-N 2 0 305.422 0.313 20 30 DCEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643577 774570335 /nfs/dbraw/zinc/57/03/35/774570335.db2.gz ZABIXKOARLXNTO-OAGGEKHMSA-N 2 0 307.438 0.456 20 30 DCEDRP C=CCCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764861 774601172 /nfs/dbraw/zinc/60/11/72/774601172.db2.gz NLPXROVQNREXKI-PMPSAXMXSA-N 2 0 308.470 0.860 20 30 DCEDRP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001114409466 774847043 /nfs/dbraw/zinc/84/70/43/774847043.db2.gz LPENZRHVCHKNMZ-FXUDXRNXSA-N 2 0 307.438 0.576 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H](O)C1 ZINC001220572714 774848678 /nfs/dbraw/zinc/84/86/78/774848678.db2.gz HTURHDBQORBWIG-PMPSAXMXSA-N 2 0 309.454 0.537 20 30 DCEDRP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976046 774967605 /nfs/dbraw/zinc/96/76/05/774967605.db2.gz HCUOSTCFNGUWHP-OAGGEKHMSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001225442130 775679439 /nfs/dbraw/zinc/67/94/39/775679439.db2.gz CTQJGDANNNHPKI-OAHLLOKOSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228355948 776074519 /nfs/dbraw/zinc/07/45/19/776074519.db2.gz WUIJPYVMFLYCBF-RRFJBIMHSA-N 2 0 322.453 0.093 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001229008134 776147843 /nfs/dbraw/zinc/14/78/43/776147843.db2.gz JIRBIARLSJZLOD-CYBMUJFWSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001041835881 777530964 /nfs/dbraw/zinc/53/09/64/777530964.db2.gz XHQWKGUQWWBLHS-WMZOPIPTSA-N 2 0 319.449 0.512 20 30 DCEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@H]21 ZINC001042291991 777841385 /nfs/dbraw/zinc/84/13/85/777841385.db2.gz JVOYOHYGNQNMQS-NVXWUHKLSA-N 2 0 319.449 0.653 20 30 DCEDRP C#CCN1C(=O)C[C@]2(CCC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273030464 945208454 /nfs/dbraw/zinc/20/84/54/945208454.db2.gz NGZQWRRPAYZAMX-KRWDZBQOSA-N 2 0 303.406 0.460 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001278307815 945215546 /nfs/dbraw/zinc/21/55/46/945215546.db2.gz HZGWEEBQSPUMLO-UONOGXRCSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CCC[C@H](C)O)CC1 ZINC001266362860 939095700 /nfs/dbraw/zinc/09/57/00/939095700.db2.gz XWTZFQCNXPHCQE-HNNXBMFYSA-N 2 0 309.454 0.541 20 30 DCEDRP CC[N@@H+](CC#CCOC)CCNC(=O)CC[NH+]1CCCCC1 ZINC001266440417 939118935 /nfs/dbraw/zinc/11/89/35/939118935.db2.gz SAKVNWFACRGLGV-UHFFFAOYSA-N 2 0 309.454 0.950 20 30 DCEDRP C#CC[NH2+]C1CCN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001279453679 939176331 /nfs/dbraw/zinc/17/63/31/939176331.db2.gz MMRXTTCMWANICR-INIZCTEOSA-N 2 0 308.470 0.376 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1=O ZINC001266827889 939246580 /nfs/dbraw/zinc/24/65/80/939246580.db2.gz FMPCGUQTTWTAOF-HUUCEWRRSA-N 2 0 324.469 0.408 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001266879736 939264543 /nfs/dbraw/zinc/26/45/43/939264543.db2.gz XFLARRNFHMPRGF-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP CC[N@H+](C)CCC(=O)NC1CCC([NH2+]CC#CCOC)CC1 ZINC001266916389 939275812 /nfs/dbraw/zinc/27/58/12/939275812.db2.gz XVQXJDFRHPPBAM-UHFFFAOYSA-N 2 0 309.454 0.995 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001267279988 939413536 /nfs/dbraw/zinc/41/35/36/939413536.db2.gz PNDGAPYJCKNGHS-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)C[N@H+](C)C2CCC2)C1=O ZINC001267384599 939444158 /nfs/dbraw/zinc/44/41/58/939444158.db2.gz YIVBASOJIZNWCO-OAHLLOKOSA-N 2 0 322.453 0.306 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CN(C)CCO2)C1 ZINC001267453458 939459623 /nfs/dbraw/zinc/45/96/23/939459623.db2.gz CMRWQUJMVXIKRO-JKSUJKDBSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001267583592 939528339 /nfs/dbraw/zinc/52/83/39/939528339.db2.gz SVRBRXMYTSYMJY-OAHLLOKOSA-N 2 0 317.437 0.472 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001481055351 939542529 /nfs/dbraw/zinc/54/25/29/939542529.db2.gz DJTNMXCLWURHLJ-UONOGXRCSA-N 2 0 310.442 0.209 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001481069928 939547695 /nfs/dbraw/zinc/54/76/95/939547695.db2.gz DDHITQTXADLNTE-HOTGVXAUSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001481069877 939547753 /nfs/dbraw/zinc/54/77/53/939547753.db2.gz CGENZOIDJPEXQZ-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267685020 939625143 /nfs/dbraw/zinc/62/51/43/939625143.db2.gz WWOLQZOOCKPIRD-SJORKVTESA-N 2 0 321.465 0.758 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1=O ZINC001481243111 939664506 /nfs/dbraw/zinc/66/45/06/939664506.db2.gz FMPCGUQTTWTAOF-CABCVRRESA-N 2 0 324.469 0.408 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+]CCO)CCCC2)CC1 ZINC001267847233 939694019 /nfs/dbraw/zinc/69/40/19/939694019.db2.gz UNCDAECJEYCJPD-UHFFFAOYSA-N 2 0 307.438 0.343 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001268073335 939923912 /nfs/dbraw/zinc/92/39/12/939923912.db2.gz ZNJUIUOXXVGRDM-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001268318856 940055980 /nfs/dbraw/zinc/05/59/80/940055980.db2.gz RSXANFLUBDXMPX-OAHLLOKOSA-N 2 0 303.406 0.104 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001481847836 940158788 /nfs/dbraw/zinc/15/87/88/940158788.db2.gz IXHPJPIPQVXNIG-UKRRQHHQSA-N 2 0 324.469 0.503 20 30 DCEDRP C#CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC001482007337 940205621 /nfs/dbraw/zinc/20/56/21/940205621.db2.gz ANMSTYSXTMICGZ-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCN1C[C@]2(CC[N@@H+](CC3CC[NH+](CC)CC3)C2)OCC1=O ZINC001273144189 945324724 /nfs/dbraw/zinc/32/47/24/945324724.db2.gz OIKXQEFWDUNBMA-GOSISDBHSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CC[NH2+]C[C@@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001269088924 940614363 /nfs/dbraw/zinc/61/43/63/940614363.db2.gz JQTNUIMROCIYDQ-MRXNPFEDSA-N 2 0 309.373 0.999 20 30 DCEDRP COCC#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001269618372 940743499 /nfs/dbraw/zinc/74/34/99/940743499.db2.gz CBOVMRIAXWJOGI-QGPMSJSTSA-N 2 0 321.465 0.851 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001269718819 940762816 /nfs/dbraw/zinc/76/28/16/940762816.db2.gz DRZJDLTVXVVFGQ-AEFFLSMTSA-N 2 0 319.449 0.655 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001270847152 941009891 /nfs/dbraw/zinc/00/98/91/941009891.db2.gz LFLBKAFDPRGHDT-KRWDZBQOSA-N 2 0 324.469 0.457 20 30 DCEDRP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001271154113 941293244 /nfs/dbraw/zinc/29/32/44/941293244.db2.gz YKXQGEAPROPFFZ-WBVHZDCISA-N 2 0 307.438 0.437 20 30 DCEDRP C=CCCC[N@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001271207318 941321684 /nfs/dbraw/zinc/32/16/84/941321684.db2.gz BJLIHQYOQOMZLF-KRWDZBQOSA-N 2 0 307.438 0.601 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC1(O)CN(CC2CC(C)C2)C1 ZINC001271297113 941344968 /nfs/dbraw/zinc/34/49/68/941344968.db2.gz AHMBXXFCFWPLSO-GPANFISMSA-N 2 0 319.449 0.293 20 30 DCEDRP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001271956038 941491409 /nfs/dbraw/zinc/49/14/09/941491409.db2.gz AJMAUVJRCXLYEY-AEFFLSMTSA-N 2 0 319.449 0.295 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001272196126 941793533 /nfs/dbraw/zinc/79/35/33/941793533.db2.gz JDZGIDCQWVHLQO-HZPDHXFCSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2ccn(C)n2)CC1 ZINC001483198507 941932566 /nfs/dbraw/zinc/93/25/66/941932566.db2.gz SUPWATJZAPNGHH-CQSZACIVSA-N 2 0 317.437 0.360 20 30 DCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001083591770 942011719 /nfs/dbraw/zinc/01/17/19/942011719.db2.gz WCBNFTGDKKXCQM-CVEARBPZSA-N 2 0 314.389 0.994 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483254571 942210594 /nfs/dbraw/zinc/21/05/94/942210594.db2.gz GDCOTGRLVGKMHR-UONOGXRCSA-N 2 0 322.453 0.093 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001272565807 942827781 /nfs/dbraw/zinc/82/77/81/942827781.db2.gz OZUDRIZOPKIGNR-DLBZAZTESA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001484234532 943238726 /nfs/dbraw/zinc/23/87/26/943238726.db2.gz CFTIUXSEXQXIHY-ZOBUZTSGSA-N 2 0 307.438 0.293 20 30 DCEDRP C=CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001484240250 943244878 /nfs/dbraw/zinc/24/48/78/943244878.db2.gz AHFKFQPYYCLMRN-NVXWUHKLSA-N 2 0 309.454 0.988 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001484347076 943330535 /nfs/dbraw/zinc/33/05/35/943330535.db2.gz MFEUWQZCGHZFFY-CVEARBPZSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001484721404 943539901 /nfs/dbraw/zinc/53/99/01/943539901.db2.gz GWKSUIQULSKQBM-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001484897907 943620367 /nfs/dbraw/zinc/62/03/67/943620367.db2.gz SJUZWSXGWHCPMH-LSDHHAIUSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001485021111 943660210 /nfs/dbraw/zinc/66/02/10/943660210.db2.gz ZYGMQMLTUUNJHO-HOTGVXAUSA-N 2 0 319.449 0.580 20 30 DCEDRP C#CCNC(=O)CN(C)C[C@H]1CCCN1C(=O)C[N@@H+](C)CCC ZINC001485076263 943684446 /nfs/dbraw/zinc/68/44/46/943684446.db2.gz SCWZFZBELBBVPD-OAHLLOKOSA-N 2 0 322.453 0.000 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001491261520 943876281 /nfs/dbraw/zinc/87/62/81/943876281.db2.gz WAVPACFZGHABBA-HNNXBMFYSA-N 2 0 322.453 0.048 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001276648142 944245576 /nfs/dbraw/zinc/24/55/76/944245576.db2.gz HGGRDEQPNIFGCO-MRXNPFEDSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CCN1C[C@@]2(CCN(CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001272870966 944292466 /nfs/dbraw/zinc/29/24/66/944292466.db2.gz SXOVTTPBPDPMTG-KRWDZBQOSA-N 2 0 307.438 0.511 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001485938757 944420749 /nfs/dbraw/zinc/42/07/49/944420749.db2.gz SCYSDYPPYNXHOG-INIZCTEOSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001276921988 944594188 /nfs/dbraw/zinc/59/41/88/944594188.db2.gz RQUMORUELKJRPY-HZPDHXFCSA-N 2 0 319.449 0.701 20 30 DCEDRP COCC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001277272015 944734570 /nfs/dbraw/zinc/73/45/70/944734570.db2.gz MDNIQILUXFZMAM-HOTGVXAUSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001317087685 944786859 /nfs/dbraw/zinc/78/68/59/944786859.db2.gz XLPRZGAUOYVJHW-SHTZXODSSA-N 2 0 305.426 0.871 20 30 DCEDRP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001486359004 944818427 /nfs/dbraw/zinc/81/84/27/944818427.db2.gz NPUOBJCFUGJEKI-INIZCTEOSA-N 2 0 309.454 0.637 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(=C)C)CC1 ZINC001486359248 944823065 /nfs/dbraw/zinc/82/30/65/944823065.db2.gz SODZHIDZSUBUDT-KRWDZBQOSA-N 2 0 321.465 0.659 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001317322928 944922591 /nfs/dbraw/zinc/92/25/91/944922591.db2.gz RQFKKYJRNYIEMQ-IRXDYDNUSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001317322926 944923029 /nfs/dbraw/zinc/92/30/29/944923029.db2.gz RQFKKYJRNYIEMQ-DLBZAZTESA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCN1CC[C@]2(CCC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1=O ZINC001246704928 945465811 /nfs/dbraw/zinc/46/58/11/945465811.db2.gz QKJXEKIGSVQANY-WBVHZDCISA-N 2 0 318.465 0.581 20 30 DCEDRP CCOC(=O)[C@H]1C[N@@H+]([C@H]2CCN[C@H](C#N)C2)CCC12C[NH2+]C2 ZINC001247008243 945539842 /nfs/dbraw/zinc/53/98/42/945539842.db2.gz MUNLIWWMIUKYRN-MELADBBJSA-N 2 0 306.410 0.105 20 30 DCEDRP C=CC[C@H]1[NH2+]CCC[C@H]1N1C[C@H]2CC[NH2+]CC[C@H]2S1(=O)=O ZINC001247008841 945543199 /nfs/dbraw/zinc/54/31/99/945543199.db2.gz LNJVXBBQHFEUNN-KBUPBQIOSA-N 2 0 313.467 0.697 20 30 DCEDRP C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001278565143 945658665 /nfs/dbraw/zinc/65/86/65/945658665.db2.gz MUSCRKZBFNSQJA-LSDHHAIUSA-N 2 0 317.437 0.566 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001319937253 945699519 /nfs/dbraw/zinc/69/95/19/945699519.db2.gz UPQCMMCPJKZHGY-ZIAGYGMSSA-N 2 0 310.442 0.113 20 30 DCEDRP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001320271521 945795471 /nfs/dbraw/zinc/79/54/71/945795471.db2.gz DCYJQLCNMGXLGX-IRXDYDNUSA-N 2 0 317.433 0.445 20 30 DCEDRP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001320271522 945796106 /nfs/dbraw/zinc/79/61/06/945796106.db2.gz DCYJQLCNMGXLGX-SJORKVTESA-N 2 0 317.433 0.445 20 30 DCEDRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC#Cc2ccccc2)C1 ZINC001320313798 945818166 /nfs/dbraw/zinc/81/81/66/945818166.db2.gz NPDJRVGIMXJLHP-SJORKVTESA-N 2 0 315.417 0.057 20 30 DCEDRP C=CCOC[C@@H](O)CNc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001252458030 945937547 /nfs/dbraw/zinc/93/75/47/945937547.db2.gz DNDJAPMOHSPWQB-AWEZNQCLSA-N 2 0 306.410 0.809 20 30 DCEDRP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001321400623 946314620 /nfs/dbraw/zinc/31/46/20/946314620.db2.gz CXOKLQHJCBYWQR-OOPCZODUSA-N 2 0 315.845 0.969 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CCO1 ZINC001273261969 946343248 /nfs/dbraw/zinc/34/32/48/946343248.db2.gz ZXLKWPIXRSIUKP-CVEARBPZSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001321661826 946419010 /nfs/dbraw/zinc/41/90/10/946419010.db2.gz CRCOZRABBJRUBB-CABCVRRESA-N 2 0 322.453 0.095 20 30 DCEDRP C=C(C)CC[NH+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001278816795 946438131 /nfs/dbraw/zinc/43/81/31/946438131.db2.gz WTUAHBUBGRNXCZ-RDJZCZTQSA-N 2 0 309.454 0.847 20 30 DCEDRP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001324826212 947542991 /nfs/dbraw/zinc/54/29/91/947542991.db2.gz NKFPPDWKDSVURZ-RDJZCZTQSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001325109713 947657988 /nfs/dbraw/zinc/65/79/88/947657988.db2.gz GVUQGRUFRYLPOO-NVXWUHKLSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001327603500 948569270 /nfs/dbraw/zinc/56/92/70/948569270.db2.gz OCKYSJRQFDTDKA-KRWDZBQOSA-N 2 0 309.454 0.685 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001327607591 948571052 /nfs/dbraw/zinc/57/10/52/948571052.db2.gz PPDKLSTVGRFDAQ-SFHVURJKSA-N 2 0 321.465 0.829 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001263835185 948772287 /nfs/dbraw/zinc/77/22/87/948772287.db2.gz JSJNQBWJHXRFEQ-XHSDSOJGSA-N 2 0 309.454 0.707 20 30 DCEDRP CC#CC[NH+]1CCC(CO)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001328557641 948961439 /nfs/dbraw/zinc/96/14/39/948961439.db2.gz IDSVRIGTBNYMJE-UHFFFAOYSA-N 2 0 305.422 0.049 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1OCC ZINC001264536496 948997501 /nfs/dbraw/zinc/99/75/01/948997501.db2.gz ZVZZCZPQZBUZBX-ARFHVFGLSA-N 2 0 309.454 0.967 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001265556131 949767511 /nfs/dbraw/zinc/76/75/11/949767511.db2.gz UDRYEIWYNDGXGW-AEGPPILISA-N 2 0 322.453 0.256 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001265563579 949772439 /nfs/dbraw/zinc/77/24/39/949772439.db2.gz LLBRMGJEHXPVHK-IYBDPMFKSA-N 2 0 307.438 0.605 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001265623937 949823662 /nfs/dbraw/zinc/82/36/62/949823662.db2.gz HGBJQUUQXLTLRA-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH2+]C1CCC(NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001265742040 949912808 /nfs/dbraw/zinc/91/28/08/949912808.db2.gz QAEOGKQVGLEFEN-UHFFFAOYSA-N 2 0 307.438 0.747 20 30 DCEDRP COCC#CCN1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001330072228 950105236 /nfs/dbraw/zinc/10/52/36/950105236.db2.gz RZWRNBMHUQUUPF-CABCVRRESA-N 2 0 307.438 0.415 20 30 DCEDRP C=CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)Cn2cncc2C)C1 ZINC001490551358 950856424 /nfs/dbraw/zinc/85/64/24/950856424.db2.gz SGKQBRVPGOJNHB-UONOGXRCSA-N 2 0 319.409 0.073 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CCO1 ZINC001280653452 951344180 /nfs/dbraw/zinc/34/41/80/951344180.db2.gz YVRIZJBRBZVDPO-QGZVFWFLSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001274125897 951430171 /nfs/dbraw/zinc/43/01/71/951430171.db2.gz VMBZVQUXYSEMTG-MFHOCJEASA-N 2 0 322.453 0.423 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC#CCOC)C[C@@H]1C ZINC001332050470 951452652 /nfs/dbraw/zinc/45/26/52/951452652.db2.gz PJXVKABHYUCWIB-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCOCC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001281460520 951510177 /nfs/dbraw/zinc/51/01/77/951510177.db2.gz ZSWHURMQUDZPCP-CABCVRRESA-N 2 0 307.438 0.721 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001281612815 951563265 /nfs/dbraw/zinc/56/32/65/951563265.db2.gz JELKPJCZYUEZRO-INIZCTEOSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@H](C[NH2+]CCC=C)C2)CC1 ZINC001280683637 951661311 /nfs/dbraw/zinc/66/13/11/951661311.db2.gz RZWKNPUSPQWJRR-QGZVFWFLSA-N 2 0 319.449 0.725 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001274543776 951688561 /nfs/dbraw/zinc/68/85/61/951688561.db2.gz LVAIQTIUYMMMQF-UHFFFAOYSA-N 2 0 321.465 0.827 20 30 DCEDRP C=C[C@@](C)(O)C[N@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274614350 951738501 /nfs/dbraw/zinc/73/85/01/951738501.db2.gz FLVAPXNWGZIKTR-SJORKVTESA-N 2 0 323.437 0.326 20 30 DCEDRP C=C[C@@](C)(O)C[N@@H+]1CCC[C@]12CCN(CCn1ccnc1)C2=O ZINC001274617342 951744211 /nfs/dbraw/zinc/74/42/11/951744211.db2.gz XKINGXLYOFBQJR-IAGOWNOFSA-N 2 0 318.421 0.887 20 30 DCEDRP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001332677762 951758185 /nfs/dbraw/zinc/75/81/85/951758185.db2.gz UJOSBBHYBUTBRA-IRXDYDNUSA-N 2 0 323.481 0.881 20 30 DCEDRP CC#CC[NH+]1CCC(CO)(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001274941235 951897310 /nfs/dbraw/zinc/89/73/10/951897310.db2.gz KSCJTQSXXOUXTL-HOTGVXAUSA-N 2 0 321.465 0.826 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CC[C@H]2CCCO2)CC1 ZINC001275039659 951940749 /nfs/dbraw/zinc/94/07/49/951940749.db2.gz WCSJGDFZTUJIRR-NVXWUHKLSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH2+]CC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001340999583 953206216 /nfs/dbraw/zinc/20/62/16/953206216.db2.gz OBXIYUXLZNJEPE-UHFFFAOYSA-N 2 0 307.438 0.560 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001343682771 953364495 /nfs/dbraw/zinc/36/44/95/953364495.db2.gz FZTOWBAXIMPSEQ-SQWLQELKSA-N 2 0 311.426 0.012 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001282889266 953724416 /nfs/dbraw/zinc/72/44/16/953724416.db2.gz OUXIRQSJYAESAE-OSYLJGHBSA-N 2 0 321.465 0.662 20 30 DCEDRP C[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C[NH+]1CCN(C)CC1 ZINC001346492059 953901046 /nfs/dbraw/zinc/90/10/46/953901046.db2.gz FPTZWQIOSQRFNK-HUUCEWRRSA-N 2 0 309.458 0.397 20 30 DCEDRP N#CCCC[C@H]([NH3+])C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC001349098851 954601535 /nfs/dbraw/zinc/60/15/35/954601535.db2.gz KDJUJQLPUIYSKM-AWEZNQCLSA-N 2 0 308.426 0.769 20 30 DCEDRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2C#N)C1 ZINC001367626870 958215540 /nfs/dbraw/zinc/21/55/40/958215540.db2.gz QNWGYGNIYBFCND-JKSUJKDBSA-N 2 0 316.405 0.077 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001491830888 959280499 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CC#CC[NH2+][C@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1(C)C ZINC001507452216 1016335638 /nfs/dbraw/zinc/33/56/38/1016335638.db2.gz JANIKHGFYFKEQP-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001507511383 1016440011 /nfs/dbraw/zinc/44/00/11/1016440011.db2.gz LMSOMSAKMJIZJG-MRXNPFEDSA-N 2 0 309.454 0.539 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001507527979 1016441981 /nfs/dbraw/zinc/44/19/81/1016441981.db2.gz FZUNQOHTJIEDBD-KRWDZBQOSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001507528671 1016446390 /nfs/dbraw/zinc/44/63/90/1016446390.db2.gz JCPJFULVGAHRBM-IAGOWNOFSA-N 2 0 317.433 0.722 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CCO1 ZINC001402611948 1001439890 /nfs/dbraw/zinc/43/98/90/1001439890.db2.gz XPMAOOWRBVPKAQ-TZMCWYRMSA-N 2 0 315.845 0.898 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001420131638 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ZHVMBGDIAJVDJY-INIZCTEOSA-N 2 0 321.465 0.995 20 30 DCEDRP CC#CC[NH2+][C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)C1CC1 ZINC001480021028 1018131903 /nfs/dbraw/zinc/13/19/03/1018131903.db2.gz MBSKPNNNWHTODC-MRXNPFEDSA-N 2 0 317.437 0.566 20 30 DCEDRP C#CCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001500057220 1018193084 /nfs/dbraw/zinc/19/30/84/1018193084.db2.gz DNTKYGFFKCXQKT-OAHLLOKOSA-N 2 0 309.454 0.634 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NC/C=C\CNCc1ccn(C)n1 ZINC001497601272 1018265851 /nfs/dbraw/zinc/26/58/51/1018265851.db2.gz PUWNBIOBBFIZPK-AWFCHZOYSA-N 2 0 315.421 0.280 20 30 DCEDRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC#CCOC)C1)[NH+](CC)CC ZINC001480222164 1018333129 /nfs/dbraw/zinc/33/31/29/1018333129.db2.gz FMLRMUMZMSRRPW-OWCLPIDISA-N 2 0 309.454 0.993 20 30 DCEDRP C=CCCC[NH+]1CC[C@](O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001500725844 1018611807 /nfs/dbraw/zinc/61/18/07/1018611807.db2.gz VJRFBWNHSFLCCI-RDJZCZTQSA-N 2 0 309.454 0.847 20 30 DCEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001480679955 1018772615 /nfs/dbraw/zinc/77/26/15/1018772615.db2.gz RIQLKFKJDPLQIY-CVEARBPZSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@@H](C)CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001480808959 1018934256 /nfs/dbraw/zinc/93/42/56/1018934256.db2.gz RUMSQKJTXVLFBX-GJZGRUSLSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(CCO)CC[NH2+]CC=C(C)C)CC1 ZINC001501514655 1019260598 /nfs/dbraw/zinc/26/05/98/1019260598.db2.gz PHIKBZWXCRDNOT-UHFFFAOYSA-N 2 0 321.465 0.708 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000417534938 334956181 /nfs/dbraw/zinc/95/61/81/334956181.db2.gz WJIYELIZWPDKEZ-MRXNPFEDSA-N 2 0 310.442 0.705 20 30 DCEDRP [NH2+]=C(NC[C@H]1CCCO1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000262430261 238173681 /nfs/dbraw/zinc/17/36/81/238173681.db2.gz SVGYMZPRFGLGIE-CQSZACIVSA-N 2 0 310.442 0.715 20 30 DCEDRP COc1cc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1C#N ZINC000261604364 396048596 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0.653 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000491407583 416597468 /nfs/dbraw/zinc/59/74/68/416597468.db2.gz RTKMPOIRTPVQIH-ZDUSSCGKSA-N 2 0 316.405 0.716 20 30 DCEDRP C#CCNC(=O)CC[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000491543992 416605828 /nfs/dbraw/zinc/60/58/28/416605828.db2.gz JIKBEFVQGAFKCW-UHFFFAOYSA-N 2 0 320.481 0.666 20 30 DCEDRP C#CC[NH+](C)CCCNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000491741460 416621172 /nfs/dbraw/zinc/62/11/72/416621172.db2.gz IMNINTKMVJVBJA-GJZGRUSLSA-N 2 0 310.442 0.038 20 30 DCEDRP C#CC[NH+](C)CCCNC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000491748697 416622897 /nfs/dbraw/zinc/62/28/97/416622897.db2.gz TXVFCRVQBLTPML-INIZCTEOSA-N 2 0 324.469 0.598 20 30 DCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)COc1ccc(C#N)cc1 ZINC000530642411 417586380 /nfs/dbraw/zinc/58/63/80/417586380.db2.gz UUWCAUWPEXRUEZ-UHFFFAOYSA-N 2 0 318.421 0.889 20 30 DCEDRP Cc1ccc(C#N)cc1S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000420457080 271371752 /nfs/dbraw/zinc/37/17/52/271371752.db2.gz OCEITCOPMLWOGH-UHFFFAOYSA-N 2 0 310.423 0.555 20 30 DCEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)C(C)C ZINC000419564699 337488892 /nfs/dbraw/zinc/48/88/92/337488892.db2.gz CREHNNSIIHMREI-GJZGRUSLSA-N 2 0 322.453 0.279 20 30 DCEDRP CC#CC[N@H+](CC)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001567332859 1160314389 /nfs/dbraw/zinc/31/43/89/1160314389.db2.gz GCIXOGDYFLWWJZ-UHFFFAOYSA-N 2 0 305.426 0.520 20 30 DCEDRP C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001569748781 1161221189 /nfs/dbraw/zinc/22/11/89/1161221189.db2.gz IUTZNOFJSONBEF-ZFWWWQNUSA-N 2 0 301.406 0.405 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358720759 526590675 /nfs/dbraw/zinc/59/06/75/526590675.db2.gz MFQNUAPMOYHMLE-INIZCTEOSA-N 2 0 310.442 0.393 20 30 DCEDRP CCNC(NCc1ccnc(N2CC[NH+](C)CC2)c1)=[NH+]CC ZINC000264066075 528007047 /nfs/dbraw/zinc/00/70/47/528007047.db2.gz DZKAZIROPQWZPV-UHFFFAOYSA-N 2 0 304.442 0.908 20 30 DCEDRP CC(C)[NH+]1CCC(NC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000329546982 546050712 /nfs/dbraw/zinc/05/07/12/546050712.db2.gz DOXTWEHMRXVQPL-UHFFFAOYSA-N 2 0 312.458 0.820 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001670204546 1174992374 /nfs/dbraw/zinc/99/23/74/1174992374.db2.gz KKKNGSBJHRAPQA-UONOGXRCSA-N 2 0 310.442 0.209 20 30 DCEDRP C=C(Cl)C[NH2+]CCN(CCO)C(=O)C1([NH+](C)C)CCC1 ZINC001672627663 1175134857 /nfs/dbraw/zinc/13/48/57/1175134857.db2.gz QDWGYEXDCADNBA-UHFFFAOYSA-N 2 0 303.834 0.634 20 30 DCEDRP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000980220437 660893669 /nfs/dbraw/zinc/89/36/69/660893669.db2.gz ZRWVBZJGGXGKLD-JYJNAYRXSA-N 2 0 301.434 0.932 20 30 DCEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028036823 661093527 /nfs/dbraw/zinc/09/35/27/661093527.db2.gz IAACDTXKKKRTHO-LPMVOBIJSA-N 2 0 317.433 0.454 20 30 DCEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971968819 658104808 /nfs/dbraw/zinc/10/48/08/658104808.db2.gz IEVPDLMHHJRMKX-LPMVOBIJSA-N 2 0 319.449 0.958 20 30 DCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971969490 658107342 /nfs/dbraw/zinc/10/73/42/658107342.db2.gz NWLIPYCFQFYHNG-DGNOSDGRSA-N 2 0 303.406 0.016 20 30 DCEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000999145674 665585509 /nfs/dbraw/zinc/58/55/09/665585509.db2.gz OQZMQPAONWBESZ-UZZMVUAXSA-N 2 0 305.422 0.615 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(C)CCO2)C(C)(C)C1 ZINC000940648940 665821874 /nfs/dbraw/zinc/82/18/74/665821874.db2.gz JXKMYBSIIRVVFT-GJZGRUSLSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000985443371 662449077 /nfs/dbraw/zinc/44/90/77/662449077.db2.gz USBDMGUSJAQQGT-HOTGVXAUSA-N 2 0 307.438 0.958 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC000947319506 662509330 /nfs/dbraw/zinc/50/93/30/662509330.db2.gz SGMISPZHRONAIM-HUUCEWRRSA-N 2 0 317.437 0.661 20 30 DCEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H](C2CC2)N2CCOCC2)CC1 ZINC000985799863 662515006 /nfs/dbraw/zinc/51/50/06/662515006.db2.gz OKWYFGFOFURCGI-QGZVFWFLSA-N 2 0 319.449 0.653 20 30 DCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000986300238 662581162 /nfs/dbraw/zinc/58/11/62/662581162.db2.gz QXWNVFMQTDJHGR-UONOGXRCSA-N 2 0 305.426 0.823 20 30 DCEDRP C#CC[N@H+](C)CCCN1C(=O)N[C@@H](C[NH+]2CCCCC2)C1=O ZINC000925311496 662898517 /nfs/dbraw/zinc/89/85/17/662898517.db2.gz DUARQZCLZQOCEG-AWEZNQCLSA-N 2 0 306.410 0.348 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000989542936 662957259 /nfs/dbraw/zinc/95/72/59/662957259.db2.gz JQUXIASKOZJBPG-HIFRSBDPSA-N 2 0 303.410 0.271 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCOC)[C@H]2C)CC1 ZINC000994493559 665116418 /nfs/dbraw/zinc/11/64/18/665116418.db2.gz DTJKKORRUHDXMS-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1OCC ZINC001691776465 1157587186 /nfs/dbraw/zinc/58/71/86/1157587186.db2.gz FCLPJYZVNDDORX-BZUAXINKSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001032837134 666289025 /nfs/dbraw/zinc/28/90/25/666289025.db2.gz IEYDOZTVDGGHCP-OAGGEKHMSA-N 2 0 305.422 0.311 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCO)C(C)(C)C2)CC1 ZINC000996671841 666856351 /nfs/dbraw/zinc/85/63/51/666856351.db2.gz ODSRDIJSPZZVKZ-OAHLLOKOSA-N 2 0 307.438 0.151 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC#C)CC2)CC1(C)C ZINC000996675432 666856744 /nfs/dbraw/zinc/85/67/44/666856744.db2.gz YOEQMVIWIFCRCW-MRXNPFEDSA-N 2 0 301.434 0.791 20 30 DCEDRP N#Cc1ccc(C[N@H+]2CC[C@H](N3C(=O)O[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC000866714548 667390148 /nfs/dbraw/zinc/39/01/48/667390148.db2.gz ROKOIMLFNZCHFZ-HRCADAONSA-N 2 0 312.373 0.925 20 30 DCEDRP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+]3CCC[C@@H]3CO1)CC2 ZINC001035712675 667402932 /nfs/dbraw/zinc/40/29/32/667402932.db2.gz KOWZSIIALPNQEH-HZPDHXFCSA-N 2 0 319.449 0.960 20 30 DCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000867983543 667523682 /nfs/dbraw/zinc/52/36/82/667523682.db2.gz PRDNIOLZOIQVCL-RYUDHWBXSA-N 2 0 312.295 0.751 20 30 DCEDRP CC(C)[C@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC[N@@H+]1C ZINC000884471565 667551496 /nfs/dbraw/zinc/55/14/96/667551496.db2.gz AEPYPTCDPAJYLN-KRIMKBQASA-N 2 0 304.438 0.924 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)CC1 ZINC000875248881 668289595 /nfs/dbraw/zinc/28/95/95/668289595.db2.gz UORBOJXWUFUSKQ-HNNXBMFYSA-N 2 0 324.469 0.781 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000876772378 668507302 /nfs/dbraw/zinc/50/73/02/668507302.db2.gz BNVQBXWBOJBYRI-QWHCGFSZSA-N 2 0 301.818 0.637 20 30 DCEDRP COCCN(CC1CC[NH+](C)CC1)C(=O)C#CC1CC[NH2+]CC1 ZINC000877132485 668565610 /nfs/dbraw/zinc/56/56/10/668565610.db2.gz FLPXGYNKWJXQBK-UHFFFAOYSA-N 2 0 321.465 0.806 20 30 DCEDRP C#C[C@@H]([NH2+]CCOCC[NH2+][C@@H](C#C)[C@H]1CCCO1)[C@@H]1CCCO1 ZINC000775795073 668867775 /nfs/dbraw/zinc/86/77/75/668867775.db2.gz LOWMHYZSVHCMKQ-FZDBZEDMSA-N 2 0 320.433 0.544 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000932144259 669324223 /nfs/dbraw/zinc/32/42/23/669324223.db2.gz XLXOZRKVPIFHHH-UHFFFAOYSA-N 2 0 318.425 0.836 20 30 DCEDRP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000949380473 670327893 /nfs/dbraw/zinc/32/78/93/670327893.db2.gz HRTPFUDFIAYDAM-UPTPFMHGSA-N 2 0 319.449 0.960 20 30 DCEDRP C#CCC[NH+]1CCOC2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000949526162 670362074 /nfs/dbraw/zinc/36/20/74/670362074.db2.gz HCTSZOZTTBCCKS-INIZCTEOSA-N 2 0 319.449 0.655 20 30 DCEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](C)[NH+]1CCCCC1 ZINC000848995620 670746904 /nfs/dbraw/zinc/74/69/04/670746904.db2.gz WUESKXPYKAWUPM-OAHLLOKOSA-N 2 0 311.474 0.358 20 30 DCEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000848996258 670747229 /nfs/dbraw/zinc/74/72/29/670747229.db2.gz NICDQZOQLYZMOP-HNNXBMFYSA-N 2 0 311.474 0.214 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852360024 671121595 /nfs/dbraw/zinc/12/15/95/671121595.db2.gz SHTYVVSSWRDANB-MRXNPFEDSA-N 2 0 322.453 0.494 20 30 DCEDRP C[C@H]1C[NH+](CCCNC(=O)C#CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000852857320 671175808 /nfs/dbraw/zinc/17/58/08/671175808.db2.gz PFVBEIHBABOUQG-GJZGRUSLSA-N 2 0 307.438 0.605 20 30 DCEDRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852882470 671184359 /nfs/dbraw/zinc/18/43/59/671184359.db2.gz IEOJINPRCXFRAZ-WBVHZDCISA-N 2 0 305.422 0.344 20 30 DCEDRP C#CCO[C@H](C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000822952757 671357159 /nfs/dbraw/zinc/35/71/59/671357159.db2.gz YBVNYMILMBXLFD-CVEARBPZSA-N 2 0 309.454 0.899 20 30 DCEDRP C[NH+](C)CCOc1cccc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000841051416 671910777 /nfs/dbraw/zinc/91/07/77/671910777.db2.gz PDGDNBZMTOPKPR-SWLSCSKDSA-N 2 0 317.393 0.860 20 30 DCEDRP CC#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958174023 687404838 /nfs/dbraw/zinc/40/48/38/687404838.db2.gz BKAJXUFPYVNSRG-JKSUJKDBSA-N 2 0 319.449 0.295 20 30 DCEDRP C=CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958219009 687450107 /nfs/dbraw/zinc/45/01/07/687450107.db2.gz GXRQVTXVCYGFGH-DZGCQCFKSA-N 2 0 300.362 0.543 20 30 DCEDRP C=CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc3nccn32)C1 ZINC000958257991 687486330 /nfs/dbraw/zinc/48/63/30/687486330.db2.gz MFNYJFWYMDFDCC-GXTWGEPZSA-N 2 0 300.362 0.543 20 30 DCEDRP C#CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958266754 687494668 /nfs/dbraw/zinc/49/46/68/687494668.db2.gz CFACDCQAONUHKA-HOCLYGCPSA-N 2 0 312.373 0.380 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001008825461 690931071 /nfs/dbraw/zinc/93/10/71/690931071.db2.gz DJWOQCRSSDWBQM-MRXNPFEDSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001016330479 692654691 /nfs/dbraw/zinc/65/46/91/692654691.db2.gz GSECATUKCQYXEU-RDJZCZTQSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H](C)OC)C2)CC1 ZINC001016335600 692655181 /nfs/dbraw/zinc/65/51/81/692655181.db2.gz FEDPZPYGXBJKPW-HOCLYGCPSA-N 2 0 307.438 0.557 20 30 DCEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001019497463 693492301 /nfs/dbraw/zinc/49/23/01/693492301.db2.gz XDBFNGLSQMHVQZ-HNNXBMFYSA-N 2 0 305.426 0.825 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC=C)CCCO2)CC1 ZINC001073898925 694798688 /nfs/dbraw/zinc/79/86/88/694798688.db2.gz GQBRUGWQNRXOAB-QGZVFWFLSA-N 2 0 319.449 0.725 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001074757109 694920922 /nfs/dbraw/zinc/92/09/22/694920922.db2.gz ITUFQNVFGVHHHQ-JOYVLCIYSA-N 2 0 303.406 0.062 20 30 DCEDRP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407380 695020231 /nfs/dbraw/zinc/02/02/31/695020231.db2.gz BNQHZVVAYKLRKK-DOTOQJQBSA-N 2 0 319.449 0.653 20 30 DCEDRP C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001570752276 1162611903 /nfs/dbraw/zinc/61/19/03/1162611903.db2.gz WDDFXZBLKHBDOU-LSDHHAIUSA-N 2 0 322.453 0.306 20 30 DCEDRP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001571606748 1162858241 /nfs/dbraw/zinc/85/82/41/1162858241.db2.gz UQMKQCORBVIYSR-HZPDHXFCSA-N 2 0 309.454 0.635 20 30 DCEDRP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001571609179 1162859163 /nfs/dbraw/zinc/85/91/63/1162859163.db2.gz YACGOHUAAKBXLA-IRXDYDNUSA-N 2 0 323.481 0.881 20 30 DCEDRP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)CN1CCOCC1 ZINC001755200439 1158010621 /nfs/dbraw/zinc/01/06/21/1158010621.db2.gz KQQZILVYAIDHBN-IAGOWNOFSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC001752843269 1158317905 /nfs/dbraw/zinc/31/79/05/1158317905.db2.gz AFSQMDCLQQPYQC-AALSBFMBSA-N 2 0 307.438 0.718 20 30 DCEDRP C#CCC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001566033542 1159950335 /nfs/dbraw/zinc/95/03/35/1159950335.db2.gz WSPVKJBEJHIRPE-KRWDZBQOSA-N 2 0 321.465 0.779 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001566913113 1160182102 /nfs/dbraw/zinc/18/21/02/1160182102.db2.gz LPWPJUJGWWFDGY-SJORKVTESA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC#CC)C2CC2)CC1 ZINC001567456146 1160372956 /nfs/dbraw/zinc/37/29/56/1160372956.db2.gz QHXXUFGMKQQYKU-UHFFFAOYSA-N 2 0 301.434 0.936 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC#CCOC ZINC001568277371 1160619312 /nfs/dbraw/zinc/61/93/12/1160619312.db2.gz WUJTZQYRBVUOIJ-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC#CC)CC1 ZINC001569596403 1161161661 /nfs/dbraw/zinc/16/16/61/1161161661.db2.gz ZHIZUBYFKHQMHI-MRXNPFEDSA-N 2 0 301.434 0.888 20 30 DCEDRP C=C(C)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001569751043 1161222210 /nfs/dbraw/zinc/22/22/10/1161222210.db2.gz JMHAHJLTDOYGLG-NVXWUHKLSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CCC[NH2+]C1CCN(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001569889136 1161295887 /nfs/dbraw/zinc/29/58/87/1161295887.db2.gz XAQYVZKSEVDWCK-INIZCTEOSA-N 2 0 320.481 0.522 20 30 DCEDRP C#CC[NH2+]C1CCN(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001569888367 1161296361 /nfs/dbraw/zinc/29/63/61/1161296361.db2.gz QGTRYGXSFGOCFO-UHFFFAOYSA-N 2 0 320.481 0.666 20 30 DCEDRP C[NH+](C)CCOc1cc(NC(=O)[C@H]([NH3+])CCCC#N)ccn1 ZINC001578418852 1165008369 /nfs/dbraw/zinc/00/83/69/1165008369.db2.gz HGEYJBBLZBBEHV-CYBMUJFWSA-N 2 0 305.382 0.982 20 30 DCEDRP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)[C@@H]([NH3+])CCCCC#N ZINC001578470886 1165027784 /nfs/dbraw/zinc/02/77/84/1165027784.db2.gz COHJXDUDTFPAST-HNNXBMFYSA-N 2 0 322.453 0.968 20 30 DCEDRP N#Cc1ccc(N2CC[NH+](C[C@@H](O)C3CC[NH2+]CC3)CC2)nc1 ZINC001580070350 1165491584 /nfs/dbraw/zinc/49/15/84/1165491584.db2.gz VWNSLWLVVAVJGN-MRXNPFEDSA-N 2 0 315.421 0.436 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC001631783789 1171600167 /nfs/dbraw/zinc/60/01/67/1171600167.db2.gz KIGYYKKYNOFOOZ-GOEBONIOSA-N 2 0 308.470 0.589 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001646799698 1172539163 /nfs/dbraw/zinc/53/91/63/1172539163.db2.gz WVHUQRWUITWLRF-NWDGAFQWSA-N 2 0 301.818 0.813 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCOC(C)C)C2)CC1 ZINC001661045635 1174092049 /nfs/dbraw/zinc/09/20/49/1174092049.db2.gz PQQXCDBYVBOYFJ-QGZVFWFLSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001661809419 1174159284 /nfs/dbraw/zinc/15/92/84/1174159284.db2.gz WNELEIJTDWFMGH-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH+]1CCN(CCN(C)C(=O)CCC[NH+](C)C)CC1 ZINC001664776814 1174457842 /nfs/dbraw/zinc/45/78/42/1174457842.db2.gz AALKLOHLTANVGP-UHFFFAOYSA-N 2 0 308.470 0.428 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001667493751 1174686828 /nfs/dbraw/zinc/68/68/28/1174686828.db2.gz NUMJLWXHOLJGAE-HNNXBMFYSA-N 2 0 324.469 0.361 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)c1sccc1C[NH+](C)C ZINC001667832079 1174720602 /nfs/dbraw/zinc/72/06/02/1174720602.db2.gz QSKXYHOMQWHSIH-ZDUSSCGKSA-N 2 0 309.435 0.513 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CCC(C)C)CC1 ZINC001667939828 1174736747 /nfs/dbraw/zinc/73/67/47/1174736747.db2.gz SAJXGMUGDGFZIM-MRXNPFEDSA-N 2 0 309.454 0.444 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001669368669 1174922971 /nfs/dbraw/zinc/92/29/71/1174922971.db2.gz GDCOTGRLVGKMHR-ZIAGYGMSSA-N 2 0 322.453 0.093 20 30 DCEDRP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001671604481 1175021165 /nfs/dbraw/zinc/02/11/65/1175021165.db2.gz ZSUHODSMSBTUKH-KRWDZBQOSA-N 2 0 320.481 0.570 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001671603432 1175021754 /nfs/dbraw/zinc/02/17/54/1175021754.db2.gz QHRRBQCEPWNPGH-MRXNPFEDSA-N 2 0 318.465 0.180 20 30 DCEDRP C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001671603834 1175021917 /nfs/dbraw/zinc/02/19/17/1175021917.db2.gz UHPGHMAKZYIGTJ-MRXNPFEDSA-N 2 0 308.470 0.733 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCOCC1 ZINC001671957689 1175047903 /nfs/dbraw/zinc/04/79/03/1175047903.db2.gz NCBUCBFRIDAZSA-GJZGRUSLSA-N 2 0 307.438 0.747 20 30 DCEDRP C#CCC[NH2+]C1CCN(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001672468472 1175110386 /nfs/dbraw/zinc/11/03/86/1175110386.db2.gz RJGPAINYEFWMAL-UHFFFAOYSA-N 2 0 308.470 0.520 20 30 DCEDRP C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001672487398 1175115114 /nfs/dbraw/zinc/11/51/14/1175115114.db2.gz TUORZUNUOXEEEF-FUHWJXTLSA-N 2 0 321.465 0.847 20 30 DCEDRP C#CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001675708810 1175387023 /nfs/dbraw/zinc/38/70/23/1175387023.db2.gz ZVJNTIXGOYHRTH-JKSUJKDBSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001676680536 1175475516 /nfs/dbraw/zinc/47/55/16/1175475516.db2.gz NBOOROLEFCDTHS-GOEBONIOSA-N 2 0 307.438 0.700 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H](C)CNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001690584853 1177276160 /nfs/dbraw/zinc/27/61/60/1177276160.db2.gz UTWUJJRFOMSBOT-UKRRQHHQSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001692036662 1177406203 /nfs/dbraw/zinc/40/62/03/1177406203.db2.gz NPFQMSOIXGMNLN-INIZCTEOSA-N 2 0 307.438 0.389 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001692330309 1177485826 /nfs/dbraw/zinc/48/58/26/1177485826.db2.gz YGQSZBVPZBFTKQ-HNNXBMFYSA-N 2 0 322.453 0.048 20 30 DCEDRP COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699102255 1177856656 /nfs/dbraw/zinc/85/66/56/1177856656.db2.gz IXGPVMFPKQRGMH-HOCLYGCPSA-N 2 0 307.438 0.462 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001699398366 1178119259 /nfs/dbraw/zinc/11/92/59/1178119259.db2.gz RIPJSSCGJCREEV-GJZGRUSLSA-N 2 0 324.469 0.600 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001699593992 1178209997 /nfs/dbraw/zinc/20/99/97/1178209997.db2.gz UWAMDZVBOURLDA-ZBFHGGJFSA-N 2 0 307.438 0.462 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001699702178 1178256266 /nfs/dbraw/zinc/25/62/66/1178256266.db2.gz SJKXANVOYHBLLD-SFHVURJKSA-N 2 0 321.465 0.902 20 30 DCEDRP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001699852147 1178316986 /nfs/dbraw/zinc/31/69/86/1178316986.db2.gz SZCOPSNCMRDBPY-SFHVURJKSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCOCC1 ZINC001699880931 1178329732 /nfs/dbraw/zinc/32/97/32/1178329732.db2.gz SEYKDOVZUNKBLB-OAHLLOKOSA-N 2 0 307.438 0.749 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001699989978 1178408562 /nfs/dbraw/zinc/40/85/62/1178408562.db2.gz RVFBLXAKQHUJAV-SOUVJXGZSA-N 2 0 322.453 0.019 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001700041549 1178456325 /nfs/dbraw/zinc/45/63/25/1178456325.db2.gz VKQDSDDMHLDMHB-HOTGVXAUSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@](CO)([NH2+]CC=C)C2)CC1 ZINC001700242086 1178550406 /nfs/dbraw/zinc/55/04/06/1178550406.db2.gz NBIRGFOMPINDOJ-GOSISDBHSA-N 2 0 319.449 0.461 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001700427057 1178613874 /nfs/dbraw/zinc/61/38/74/1178613874.db2.gz XMRBHKOJBSDWJL-LSDHHAIUSA-N 2 0 324.469 0.503 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CCC(C)C)CC1 ZINC001700809001 1178759170 /nfs/dbraw/zinc/75/91/70/1178759170.db2.gz WVEJVZNYSYPJKD-MRXNPFEDSA-N 2 0 309.454 0.444 20 30 DCEDRP COCC#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001701047396 1178905461 /nfs/dbraw/zinc/90/54/61/1178905461.db2.gz XRQYWFHLQZKKKS-INIZCTEOSA-N 2 0 305.422 0.479 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001713149332 1180697672 /nfs/dbraw/zinc/69/76/72/1180697672.db2.gz OXGOAXOGZDIMDO-KKUMJFAQSA-N 2 0 322.453 0.352 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713171245 1180706608 /nfs/dbraw/zinc/70/66/08/1180706608.db2.gz DXBGEIJEBJUOMP-SHTZXODSSA-N 2 0 322.453 0.257 20 30 DCEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001713170626 1180707306 /nfs/dbraw/zinc/70/73/06/1180707306.db2.gz IEVHAJLRTUDCIA-SHTZXODSSA-N 2 0 303.410 0.318 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713199430 1180716555 /nfs/dbraw/zinc/71/65/55/1180716555.db2.gz CKOQRQAXPSILHF-MELADBBJSA-N 2 0 322.453 0.256 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001713220694 1180725593 /nfs/dbraw/zinc/72/55/93/1180725593.db2.gz PZDVXZBMQBNKRN-GJZGRUSLSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)CCOC)C2)CC1 ZINC001713401169 1180799860 /nfs/dbraw/zinc/79/98/60/1180799860.db2.gz OOGITEJFYIKVAJ-KRWDZBQOSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCC[NH+]1CCN(CCN(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001713744828 1181040424 /nfs/dbraw/zinc/04/04/24/1181040424.db2.gz KIZLTPMLBNVMIE-UHFFFAOYSA-N 2 0 308.470 0.734 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001713989208 1181186037 /nfs/dbraw/zinc/18/60/37/1181186037.db2.gz QMPBGAKMVAPZFB-ZNMIVQPWSA-N 2 0 322.453 0.400 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CC[N@@H+](C)CC)C2)C1=O ZINC001714015725 1181203204 /nfs/dbraw/zinc/20/32/04/1181203204.db2.gz NAHXTBIIVDMVHX-ZNMIVQPWSA-N 2 0 322.453 0.352 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001715008953 1181644752 /nfs/dbraw/zinc/64/47/52/1181644752.db2.gz GDYGXXOWRKZAMV-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001715078057 1181682987 /nfs/dbraw/zinc/68/29/87/1181682987.db2.gz XDWHCWXNWJBXBT-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CN(C)CCO2)cc1 ZINC001715195265 1181713431 /nfs/dbraw/zinc/71/34/31/1181713431.db2.gz UNPQTWJGEGPCDK-QGZVFWFLSA-N 2 0 315.417 0.746 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCN(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001715774429 1181988592 /nfs/dbraw/zinc/98/85/92/1181988592.db2.gz WEWJJXALPLCRKF-CABCVRRESA-N 2 0 322.453 0.163 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC#CCOC)C1CC1 ZINC001716632007 1182470866 /nfs/dbraw/zinc/47/08/66/1182470866.db2.gz SLVZTRZJQRPSTN-DLBZAZTESA-N 2 0 321.465 0.995 20 30 DCEDRP CC#CC[N@@H+]1CC[C@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001716850881 1182549453 /nfs/dbraw/zinc/54/94/53/1182549453.db2.gz IFZOEPHRPPUKQN-KRWDZBQOSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001716881054 1182556556 /nfs/dbraw/zinc/55/65/56/1182556556.db2.gz ZWOLRNRFZZPXLN-QGZVFWFLSA-N 2 0 319.449 0.560 20 30 DCEDRP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001716918523 1182572017 /nfs/dbraw/zinc/57/20/17/1182572017.db2.gz HTJQIWOOCGUSPI-SJLPKXTDSA-N 2 0 321.465 0.847 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001716921005 1182576312 /nfs/dbraw/zinc/57/63/12/1182576312.db2.gz IJPOOSRGQDWJSA-INIZCTEOSA-N 2 0 307.438 0.744 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CCO1 ZINC001717182223 1182715885 /nfs/dbraw/zinc/71/58/85/1182715885.db2.gz BQKNCPZRUOVARX-KRWDZBQOSA-N 2 0 319.449 0.559 20 30 DCEDRP C=C(C)CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001717250549 1182748284 /nfs/dbraw/zinc/74/82/84/1182748284.db2.gz RJRHCMVFAJYMDQ-RDJZCZTQSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001717337487 1182790225 /nfs/dbraw/zinc/79/02/25/1182790225.db2.gz LCQBPAKUKPRBKN-KBPBESRZSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+][C@H](C)COC)C2)CC1 ZINC001717651986 1182938494 /nfs/dbraw/zinc/93/84/94/1182938494.db2.gz AJOWTQXCEVCEIW-BFYDXBDKSA-N 2 0 321.465 0.851 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]Cc2cnon2)CC1 ZINC001723205628 1184275529 /nfs/dbraw/zinc/27/55/29/1184275529.db2.gz ZLBUMFJRCMTSGQ-UHFFFAOYSA-N 2 0 319.409 0.353 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(CO)CCC[N@@H+](C(C)C)C2)CC1 ZINC001724640188 1184489553 /nfs/dbraw/zinc/48/95/53/1184489553.db2.gz CWPCPNFMMAHSNM-SFHVURJKSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCOCC1 ZINC001724918263 1184620220 /nfs/dbraw/zinc/62/02/20/1184620220.db2.gz FOLXANRANNEUNO-JKSUJKDBSA-N 2 0 319.449 0.892 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001724973363 1184639151 /nfs/dbraw/zinc/63/91/51/1184639151.db2.gz XATMCXGAZSSMNH-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001724985107 1184645098 /nfs/dbraw/zinc/64/50/98/1184645098.db2.gz DPZQFKOZHUCJII-HZPDHXFCSA-N 2 0 321.465 0.683 20 30 DCEDRP C=CCC[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001725016625 1184657601 /nfs/dbraw/zinc/65/76/01/1184657601.db2.gz FPKQSQZIQVQACB-HUUCEWRRSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2(CO)CC[NH+](CC=C)CC2)CC1 ZINC001725021537 1184660206 /nfs/dbraw/zinc/66/02/06/1184660206.db2.gz MNIGKAPIQZLXOF-UHFFFAOYSA-N 2 0 319.449 0.461 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001725051171 1184669538 /nfs/dbraw/zinc/66/95/38/1184669538.db2.gz CGSIPGZMLYAKMC-INIZCTEOSA-N 2 0 319.449 0.655 20 30 DCEDRP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001725112620 1184686658 /nfs/dbraw/zinc/68/66/58/1184686658.db2.gz MHKDZLIRHBWLRP-ZIAGYGMSSA-N 2 0 305.426 0.564 20 30 DCEDRP C=CC[NH2+][C@@H](CO)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001725537256 1184868943 /nfs/dbraw/zinc/86/89/43/1184868943.db2.gz ASZPHWLVMVZONX-IUODEOHRSA-N 2 0 301.406 0.452 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCO)[C@H]2C)CC1 ZINC001725598924 1184906399 /nfs/dbraw/zinc/90/63/99/1184906399.db2.gz BWIAKSBRILXJCJ-GDBMZVCRSA-N 2 0 307.438 0.293 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC001725675778 1184936128 /nfs/dbraw/zinc/93/61/28/1184936128.db2.gz SRSAYCKRLAVYFG-ZIAGYGMSSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001725805712 1185001829 /nfs/dbraw/zinc/00/18/29/1185001829.db2.gz VIVJEJZPHDOZLP-MRXNPFEDSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CC[N@H+](CC)CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001731323709 1185268293 /nfs/dbraw/zinc/26/82/93/1185268293.db2.gz GUZYJLSNMXGFQQ-INIZCTEOSA-N 2 0 309.454 0.806 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001731860086 1185534732 /nfs/dbraw/zinc/53/47/32/1185534732.db2.gz IEFRHCBABBWBNX-CVEARBPZSA-N 2 0 309.454 0.969 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001732561356 1185851316 /nfs/dbraw/zinc/85/13/16/1185851316.db2.gz WBZHKGIVTSLYOD-INIZCTEOSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001732707517 1185930858 /nfs/dbraw/zinc/93/08/58/1185930858.db2.gz VVJLPMIJLMUOKY-INIZCTEOSA-N 2 0 321.465 0.997 20 30 DCEDRP CC#CC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001733041889 1186116604 /nfs/dbraw/zinc/11/66/04/1186116604.db2.gz JOKIXLZSGNNJKY-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CCCO)CC1 ZINC001733370354 1186243194 /nfs/dbraw/zinc/24/31/94/1186243194.db2.gz IBYNJFQWMWTVDJ-NVXWUHKLSA-N 2 0 321.465 0.635 20 30 DCEDRP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+]([C@@H](C)COC)CC1 ZINC001733376078 1186246048 /nfs/dbraw/zinc/24/60/48/1186246048.db2.gz XXQCIJCNIWFDLW-HOTGVXAUSA-N 2 0 321.465 0.899 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCOCC1 ZINC001733469829 1186280182 /nfs/dbraw/zinc/28/01/82/1186280182.db2.gz SLEATSBQNNXHLK-UHFFFAOYSA-N 2 0 307.438 0.607 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001733599966 1186357325 /nfs/dbraw/zinc/35/73/25/1186357325.db2.gz FQMFIRVWVJVLFA-JKSUJKDBSA-N 2 0 307.438 0.511 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)COC2CC[NH+](C)CC2)CCC1 ZINC001733725643 1186415737 /nfs/dbraw/zinc/41/57/37/1186415737.db2.gz MVHFANPCJBTUTN-UHFFFAOYSA-N 2 0 307.438 0.749 20 30 DCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001733820773 1186460919 /nfs/dbraw/zinc/46/09/19/1186460919.db2.gz DJOAMXCCZVCWFV-GDBMZVCRSA-N 2 0 315.433 0.795 20 30 DCEDRP C=CCCC[NH2+][C@]1(CO)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001733826324 1186464072 /nfs/dbraw/zinc/46/40/72/1186464072.db2.gz HHPDKIPEHIIDPP-QGZVFWFLSA-N 2 0 309.454 0.992 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH2+]CCO)CC2)CC1 ZINC001733869673 1186480878 /nfs/dbraw/zinc/48/08/78/1186480878.db2.gz NDLUXTQFICKKMV-UHFFFAOYSA-N 2 0 307.438 0.295 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC#CCOC ZINC001734039973 1186528647 /nfs/dbraw/zinc/52/86/47/1186528647.db2.gz VDMXHFRHLPNFPZ-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001734184154 1186573148 /nfs/dbraw/zinc/57/31/48/1186573148.db2.gz RCLXXMVCASQYPO-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCC[N@@H+](C)CCN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001753865618 1188668292 /nfs/dbraw/zinc/66/82/92/1188668292.db2.gz YAFCJKCHIYZSHO-UHFFFAOYSA-N 2 0 305.426 0.472 20 30 DCEDRP C#CC[NH2+]C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C1CC1 ZINC001754439867 1188852937 /nfs/dbraw/zinc/85/29/37/1188852937.db2.gz ALLXNFVJYWAOQG-OAHLLOKOSA-N 2 0 303.410 0.176 20 30 DCEDRP C#CCC[N@H+]1CC[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001754488081 1188864882 /nfs/dbraw/zinc/86/48/82/1188864882.db2.gz WIGRRXQXQKKQIQ-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H](C[NH2+]CCOC)C2)CC1 ZINC001754827980 1188942300 /nfs/dbraw/zinc/94/23/00/1188942300.db2.gz BMMVKTSKNAYESX-DOTOQJQBSA-N 2 0 321.465 0.662 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001754874514 1188956201 /nfs/dbraw/zinc/95/62/01/1188956201.db2.gz BCIHCHZGWCQMEQ-YESZJQIVSA-N 2 0 319.449 0.511 20 30 DCEDRP CCC1([NH2+]CC#CCOC)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001755073527 1189013714 /nfs/dbraw/zinc/01/37/14/1189013714.db2.gz XMZWGIGLFVSAMS-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001755458858 1189118491 /nfs/dbraw/zinc/11/84/91/1189118491.db2.gz DVWTUYXUKLWXMW-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[N@H+](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001755535426 1189139619 /nfs/dbraw/zinc/13/96/19/1189139619.db2.gz JFHBICNPTPAZHB-UHFFFAOYSA-N 2 0 319.449 0.655 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001755705080 1189189827 /nfs/dbraw/zinc/18/98/27/1189189827.db2.gz UMEWKFBEKPSTQJ-LZLYRXPVSA-N 2 0 319.449 0.701 20 30 DCEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC#C)CC3)C[C@H]21 ZINC001042367105 751603314 /nfs/dbraw/zinc/60/33/14/751603314.db2.gz AWTBXIBASDWUCH-SJLPKXTDSA-N 2 0 313.445 0.888 20 30 DCEDRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+]CC#CCOC)CC1 ZINC001167814759 748368311 /nfs/dbraw/zinc/36/83/11/748368311.db2.gz CRRUSUYRDWQRDU-UHFFFAOYSA-N 2 0 309.454 0.854 20 30 DCEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCN3CCOCC3)C[C@@H]2C1 ZINC001088140607 749253236 /nfs/dbraw/zinc/25/32/36/749253236.db2.gz VCSHVGBCLATXRS-CVEARBPZSA-N 2 0 305.422 0.122 20 30 DCEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001112867882 761983998 /nfs/dbraw/zinc/98/39/98/761983998.db2.gz CKKFLLXQOXTOKU-HOTGVXAUSA-N 2 0 307.438 0.960 20 30 DCEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@@H](O)C1 ZINC001083505950 750055023 /nfs/dbraw/zinc/05/50/23/750055023.db2.gz KAAQSAKSHIOICM-PMPSAXMXSA-N 2 0 309.454 0.988 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127317639 751095978 /nfs/dbraw/zinc/09/59/78/751095978.db2.gz VJOIHVHHXHLURO-UHFFFAOYSA-N 2 0 310.442 0.259 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106592810 751197946 /nfs/dbraw/zinc/19/79/46/751197946.db2.gz WMSJUYKMJVZOLA-HZPDHXFCSA-N 2 0 321.465 0.662 20 30 DCEDRP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001047525769 754359017 /nfs/dbraw/zinc/35/90/17/754359017.db2.gz TUSAHOFZYFYPDT-GJZGRUSLSA-N 2 0 309.454 0.798 20 30 DCEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047553640 754386467 /nfs/dbraw/zinc/38/64/67/754386467.db2.gz PJJHZVLBHCOMDY-HOTGVXAUSA-N 2 0 307.438 0.245 20 30 DCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049216158 755187567 /nfs/dbraw/zinc/18/75/67/755187567.db2.gz VUHBRDIZNCEPPI-ZACQAIPSSA-N 2 0 319.449 0.368 20 30 DCEDRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccncc1C#N)C2 ZINC000903494479 755234133 /nfs/dbraw/zinc/23/41/33/755234133.db2.gz FVZMBTSDYMZLKL-LZWOXQAQSA-N 2 0 300.362 0.666 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](C[C@@H](C)O)CC2)CC1 ZINC001052957031 755885593 /nfs/dbraw/zinc/88/55/93/755885593.db2.gz CJBFVOUOIGDHRA-NVXWUHKLSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)COC)C[C@H]2C)CC1 ZINC001080997904 756417329 /nfs/dbraw/zinc/41/73/29/756417329.db2.gz OMSKGCVQXALTCU-BFYDXBDKSA-N 2 0 321.465 0.803 20 30 DCEDRP CC1([NH3+])CN(C(=O)[C@@H](c2ccc(C#N)cc2)N2CC[NH2+]CC2)C1 ZINC001157650907 762475687 /nfs/dbraw/zinc/47/56/87/762475687.db2.gz HCFKHIZMJVCITA-OAHLLOKOSA-N 2 0 313.405 0.064 20 30 DCEDRP C=CC[NH2+][C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001054656778 756601798 /nfs/dbraw/zinc/60/17/98/756601798.db2.gz PLPHWMCTPHUBLV-HIFRSBDPSA-N 2 0 305.426 0.681 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC001054893586 756667559 /nfs/dbraw/zinc/66/75/59/756667559.db2.gz JHGUISXAZGQYEY-XJKSGUPXSA-N 2 0 309.373 0.951 20 30 DCEDRP C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001098403955 762666877 /nfs/dbraw/zinc/66/68/77/762666877.db2.gz AGXQNGKXIAXOKK-MRXNPFEDSA-N 2 0 309.454 0.635 20 30 DCEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001085601652 759115502 /nfs/dbraw/zinc/11/55/02/759115502.db2.gz CQQASAVKYVVZSV-HNNXBMFYSA-N 2 0 317.437 0.614 20 30 DCEDRP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001098391738 759217153 /nfs/dbraw/zinc/21/71/53/759217153.db2.gz HLDFWAXUERQXIE-MRXNPFEDSA-N 2 0 309.454 0.798 20 30 DCEDRP C#CCCN1CCO[C@@](C)(CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001108215597 759399770 /nfs/dbraw/zinc/39/97/70/759399770.db2.gz GMYABDYZQJSNOB-SFHVURJKSA-N 2 0 321.465 0.949 20 30 DCEDRP C[NH+](C)CCOCC(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001147848698 767861885 /nfs/dbraw/zinc/86/18/85/767861885.db2.gz SLLHUQJKTNWUMB-UHFFFAOYSA-N 2 0 304.394 0.342 20 30 DCEDRP C=CC[NH+](CCO)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001098408159 759724221 /nfs/dbraw/zinc/72/42/21/759724221.db2.gz GTKJGJVVTINMAN-MRXNPFEDSA-N 2 0 309.454 0.942 20 30 DCEDRP O=C(NCC[NH2+]CC#Cc1ccc(F)cc1)C12CC[NH+](CC1)C2 ZINC001147971079 767888688 /nfs/dbraw/zinc/88/86/88/767888688.db2.gz UVRLIFUATAAKFD-UHFFFAOYSA-N 2 0 315.392 0.979 20 30 DCEDRP C#CCC[NH+](CCO)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001098451112 760305166 /nfs/dbraw/zinc/30/51/66/760305166.db2.gz WEYLCTXTJSJMFZ-MRXNPFEDSA-N 2 0 307.438 0.389 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070310306 761168040 /nfs/dbraw/zinc/16/80/40/761168040.db2.gz UWMWJQZKBBSUHV-KFWWJZLASA-N 2 0 318.425 0.147 20 30 DCEDRP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)COCC[NH+](C)C ZINC001099547922 762896388 /nfs/dbraw/zinc/89/63/88/762896388.db2.gz NLIWHHBUGFYVOK-NXOAAHMSSA-N 2 0 321.465 0.919 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129532099 762954712 /nfs/dbraw/zinc/95/47/12/762954712.db2.gz RAVHAYSNHQQMBZ-UHFFFAOYSA-N 2 0 324.469 0.601 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130096597 763123651 /nfs/dbraw/zinc/12/36/51/763123651.db2.gz LVJGSJNLANFEFA-CABCVRRESA-N 2 0 320.441 0.538 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001099938223 763142750 /nfs/dbraw/zinc/14/27/50/763142750.db2.gz SKAIAVKHHJBFMH-CVEARBPZSA-N 2 0 321.465 0.826 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130173957 763163469 /nfs/dbraw/zinc/16/34/69/763163469.db2.gz XCFLXIMQVMYOGN-CQSZACIVSA-N 2 0 322.453 0.259 20 30 DCEDRP C=CCCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001099985499 763187795 /nfs/dbraw/zinc/18/77/95/763187795.db2.gz CXRFUBVUKRZMFB-CVEARBPZSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001130398860 763293921 /nfs/dbraw/zinc/29/39/21/763293921.db2.gz HBXOSJCIBMFMDG-DZGCQCFKSA-N 2 0 317.437 0.789 20 30 DCEDRP C#CC[NH2+]C1CC(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001100444536 763583416 /nfs/dbraw/zinc/58/34/16/763583416.db2.gz OWHNXCZSXXNPNU-UHFFFAOYSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](CC)CC)C[C@H](C)O2 ZINC001131691935 763951502 /nfs/dbraw/zinc/95/15/02/763951502.db2.gz BRBFLFHXBKNEHG-RDJZCZTQSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@@H+](C)CCC)C[C@@H](C)O2 ZINC001131697622 763956368 /nfs/dbraw/zinc/95/63/68/763956368.db2.gz OBVLGQLLBVWLLX-NVXWUHKLSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CCC[NH+](CCO)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001098477803 764142834 /nfs/dbraw/zinc/14/28/34/764142834.db2.gz KLPUTVIIHWCUHH-MRXNPFEDSA-N 2 0 321.465 0.637 20 30 DCEDRP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579633 764712876 /nfs/dbraw/zinc/71/28/76/764712876.db2.gz HVZOFGPTJAZBEX-HZPDHXFCSA-N 2 0 309.454 0.969 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001133309274 764917566 /nfs/dbraw/zinc/91/75/66/764917566.db2.gz BCKUFISSZOVNKM-IAGOWNOFSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103719244 765111814 /nfs/dbraw/zinc/11/18/14/765111814.db2.gz WIWOEIPWGTUBKP-ZACQAIPSSA-N 2 0 321.465 0.662 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001104000233 765230046 /nfs/dbraw/zinc/23/00/46/765230046.db2.gz ZWLLGEQYZJOCFO-ZACQAIPSSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583477 765580833 /nfs/dbraw/zinc/58/08/33/765580833.db2.gz LFMZKOBJUXBOBU-KGLIPLIRSA-N 2 0 324.469 0.646 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124873279 768319733 /nfs/dbraw/zinc/31/97/33/768319733.db2.gz VLLTXDWVQWKNIH-AWEZNQCLSA-N 2 0 310.442 0.211 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135093860 765801658 /nfs/dbraw/zinc/80/16/58/765801658.db2.gz UJAGJHRDJHEIMQ-KBPBESRZSA-N 2 0 308.426 0.011 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001135474202 765939752 /nfs/dbraw/zinc/93/97/52/765939752.db2.gz JTVFXGVNKZBVHN-CABCVRRESA-N 2 0 324.469 0.197 20 30 DCEDRP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090572628 766327268 /nfs/dbraw/zinc/32/72/68/766327268.db2.gz HFGVNQIWTDCMSL-CABCVRRESA-N 2 0 309.454 0.846 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001090691720 766480545 /nfs/dbraw/zinc/48/05/45/766480545.db2.gz ICKVVIQPDMAZQR-CVEARBPZSA-N 2 0 309.454 0.844 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CCCCC1 ZINC001120147895 766915935 /nfs/dbraw/zinc/91/59/35/766915935.db2.gz UXYMDLNBEVUHEP-MRXNPFEDSA-N 2 0 321.465 0.997 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001120449963 767019511 /nfs/dbraw/zinc/01/95/11/767019511.db2.gz QSLYPAVWFCWZRO-DLBZAZTESA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146340109 767436854 /nfs/dbraw/zinc/43/68/54/767436854.db2.gz OHBAMEZCRFDQKS-UONOGXRCSA-N 2 0 310.442 0.257 20 30 DCEDRP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001149849994 768882753 /nfs/dbraw/zinc/88/27/53/768882753.db2.gz XTHUMTBPZBNICU-JKSUJKDBSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[NH+]1CCCO[C@@H](CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001149937238 768911938 /nfs/dbraw/zinc/91/19/38/768911938.db2.gz RTSITPAIAWJTDQ-HNNXBMFYSA-N 2 0 309.454 0.947 20 30 DCEDRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001151049579 769246047 /nfs/dbraw/zinc/24/60/47/769246047.db2.gz SNKZGYYFCSDGCH-CYBMUJFWSA-N 2 0 304.369 0.855 20 30 DCEDRP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151073222 769252309 /nfs/dbraw/zinc/25/23/09/769252309.db2.gz GRLHSFWSJNLBLF-HUUCEWRRSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)C[N@@H+](C)CCC)C1=O ZINC001171763001 769369857 /nfs/dbraw/zinc/36/98/57/769369857.db2.gz PSMRFTFYCGYSQT-AWEZNQCLSA-N 2 0 310.442 0.211 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cccnc2)CC1 ZINC001152334832 769529384 /nfs/dbraw/zinc/52/93/84/769529384.db2.gz QQYHJLLJKBLSGJ-UHFFFAOYSA-N 2 0 300.406 0.633 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C[C@@H]2CCCOC2)CC1 ZINC001176926824 770227744 /nfs/dbraw/zinc/22/77/44/770227744.db2.gz WPFHUAFSTRFVLZ-INIZCTEOSA-N 2 0 321.465 0.854 20 30 DCEDRP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374784 770800210 /nfs/dbraw/zinc/80/02/10/770800210.db2.gz XIILKSHDHDTWJV-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001179976043 771041617 /nfs/dbraw/zinc/04/16/17/771041617.db2.gz GNHHRZKPROACPX-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001179983131 771043519 /nfs/dbraw/zinc/04/35/19/771043519.db2.gz MCRQFNDSLKFUKT-ILXRZTDVSA-N 2 0 322.453 0.045 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001180221592 771076389 /nfs/dbraw/zinc/07/63/89/771076389.db2.gz AVFRUUZUMRAUPC-KBPBESRZSA-N 2 0 310.442 0.208 20 30 DCEDRP COCC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001180900113 771198614 /nfs/dbraw/zinc/19/86/14/771198614.db2.gz WFNFZJJFEDZUSM-JFIYKMOQSA-N 2 0 321.465 0.805 20 30 DCEDRP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)cc1C#N ZINC001151049615 771318658 /nfs/dbraw/zinc/31/86/58/771318658.db2.gz UNRNQDPQACOUMW-CQSZACIVSA-N 2 0 316.405 0.724 20 30 DCEDRP C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001183043403 771595851 /nfs/dbraw/zinc/59/58/51/771595851.db2.gz RRBAXXJYGPVUFU-CALCHBBNSA-N 2 0 319.449 0.960 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001183040600 771595961 /nfs/dbraw/zinc/59/59/61/771595961.db2.gz UNUGRFDFZIUSDJ-CABCVRRESA-N 2 0 322.453 0.354 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001183249426 771628374 /nfs/dbraw/zinc/62/83/74/771628374.db2.gz HXLYTXWUXVCCDG-NVXWUHKLSA-N 2 0 319.449 0.844 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001183591725 771672089 /nfs/dbraw/zinc/67/20/89/771672089.db2.gz KUTCZGDXUNUMEA-MGPQQGTHSA-N 2 0 310.442 0.208 20 30 DCEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001158179820 771735508 /nfs/dbraw/zinc/73/55/08/771735508.db2.gz QLVAFOADIRLTEK-BZUAXINKSA-N 2 0 314.389 0.395 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001185072363 771862905 /nfs/dbraw/zinc/86/29/05/771862905.db2.gz GKGKONHUYUEGOB-LSDHHAIUSA-N 2 0 324.469 0.315 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001159356173 771900523 /nfs/dbraw/zinc/90/05/23/771900523.db2.gz UQYZOFKZFIDNFD-CABCVRRESA-N 2 0 324.469 0.647 20 30 DCEDRP C=CCOCc1nn(C)c2c1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2 ZINC001159381774 771904030 /nfs/dbraw/zinc/90/40/30/771904030.db2.gz FXAMGDFGAGJPNS-ZDUSSCGKSA-N 2 0 321.425 0.074 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001185382388 771909460 /nfs/dbraw/zinc/90/94/60/771909460.db2.gz ZYLSJENIGUITIZ-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001185382387 771909595 /nfs/dbraw/zinc/90/95/95/771909595.db2.gz ZYLSJENIGUITIZ-CVEARBPZSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH2+][C@@H]1CCO[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001186097915 772003036 /nfs/dbraw/zinc/00/30/36/772003036.db2.gz YGEMAYQHYGBVFE-SJORKVTESA-N 2 0 321.465 0.947 20 30 DCEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160644197 772084835 /nfs/dbraw/zinc/08/48/35/772084835.db2.gz WTHUUBSGMMMOTH-GJZGRUSLSA-N 2 0 302.378 0.004 20 30 DCEDRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3ccccc3C#N)C[C@@H]21 ZINC001161082828 772163354 /nfs/dbraw/zinc/16/33/54/772163354.db2.gz PLLGRJSHTHARSH-IKGGRYGDSA-N 2 0 312.417 0.981 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C)(COC)CC1 ZINC001162171086 772335976 /nfs/dbraw/zinc/33/59/76/772335976.db2.gz IELUATZKHDETOF-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC#CCOC)C[C@H]21 ZINC001189912821 772556998 /nfs/dbraw/zinc/55/69/98/772556998.db2.gz GKQCTKRHAWYNDH-DLBZAZTESA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166010604 772778804 /nfs/dbraw/zinc/77/88/04/772778804.db2.gz PPPRKVFRPZWGBK-UONOGXRCSA-N 2 0 312.458 0.359 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192007499 772856873 /nfs/dbraw/zinc/85/68/73/772856873.db2.gz OHIQZGYMYQPWBZ-OAHLLOKOSA-N 2 0 307.438 0.511 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001203714981 772920817 /nfs/dbraw/zinc/92/08/17/772920817.db2.gz WMLZUUJRALIFLO-CQSZACIVSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193280998 773037374 /nfs/dbraw/zinc/03/73/74/773037374.db2.gz ZCGHLXVHMBOJHM-CABCVRRESA-N 2 0 324.469 0.552 20 30 DCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001194026698 773140213 /nfs/dbraw/zinc/14/02/13/773140213.db2.gz IYOMOPPHFXPHSG-CVEARBPZSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CCCO)C2)CC1 ZINC001194246523 773167561 /nfs/dbraw/zinc/16/75/61/773167561.db2.gz NXHXLVWQUCHKHD-MRXNPFEDSA-N 2 0 307.438 0.247 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCCOC)C2)CC1 ZINC001194246910 773167635 /nfs/dbraw/zinc/16/76/35/773167635.db2.gz SWHFEIOXGILDDK-KRWDZBQOSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)C[C@H](C)OC)C2)CC1 ZINC001194247349 773167648 /nfs/dbraw/zinc/16/76/48/773167648.db2.gz XBNACOJAMLXRAI-RDJZCZTQSA-N 2 0 321.465 0.899 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001208423743 773457811 /nfs/dbraw/zinc/45/78/11/773457811.db2.gz OJWIQFZFJNSMFP-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CCOC)CC2)CC1 ZINC001203869327 773689921 /nfs/dbraw/zinc/68/99/21/773689921.db2.gz DEHMPZNISOAJQT-UHFFFAOYSA-N 2 0 307.438 0.559 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC#CCOC)C1 ZINC001216844400 774142549 /nfs/dbraw/zinc/14/25/49/774142549.db2.gz AXBZTJXVUFAIKD-ZACQAIPSSA-N 2 0 321.465 0.947 20 30 DCEDRP N#Cc1c(NC(=O)[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)sc2c1CC[NH2+]C2 ZINC001218552833 774246162 /nfs/dbraw/zinc/24/61/62/774246162.db2.gz KQJUCCMUWHOWLD-GRYCIOLGSA-N 2 0 318.402 0.438 20 30 DCEDRP C#CC[C@]1(C(=O)Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)CCC[NH2+]1 ZINC001218728176 774290311 /nfs/dbraw/zinc/29/03/11/774290311.db2.gz UFCZMPGTJCFXAG-RHSMWYFYSA-N 2 0 314.389 0.906 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200529690 774362616 /nfs/dbraw/zinc/36/26/16/774362616.db2.gz XCOJEJRJHFZUPB-SJORKVTESA-N 2 0 319.449 0.559 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001201239866 774469016 /nfs/dbraw/zinc/46/90/16/774469016.db2.gz OJBKIOBEMAPHFY-UKRRQHHQSA-N 2 0 324.469 0.598 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)CCCO1 ZINC001201391103 774505392 /nfs/dbraw/zinc/50/53/92/774505392.db2.gz XIEKZYWXZHNBMG-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCCO1 ZINC001201576631 774527240 /nfs/dbraw/zinc/52/72/40/774527240.db2.gz LVHDCGQOZDOEPJ-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202060216 774596610 /nfs/dbraw/zinc/59/66/10/774596610.db2.gz VLZMOBXXMKPFEW-KBPBESRZSA-N 2 0 315.845 0.898 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001202239053 774625356 /nfs/dbraw/zinc/62/53/56/774625356.db2.gz PTVJFOGQAOYMST-CQSZACIVSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001220214416 774735745 /nfs/dbraw/zinc/73/57/45/774735745.db2.gz BPSYYKBDPLOHMT-JONQDZQNSA-N 2 0 309.454 0.844 20 30 DCEDRP COCC#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001202502606 774768787 /nfs/dbraw/zinc/76/87/87/774768787.db2.gz FUIFJJJUDGSBKO-HOCLYGCPSA-N 2 0 307.438 0.415 20 30 DCEDRP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771361 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0.805 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001267197047 939382331 /nfs/dbraw/zinc/38/23/31/939382331.db2.gz QDEJEKLBDQFZOB-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001267565848 939501824 /nfs/dbraw/zinc/50/18/24/939501824.db2.gz VVLJIQMWLQHOMG-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267601923 939544425 /nfs/dbraw/zinc/54/44/25/939544425.db2.gz TYXBUEYPJPHZEJ-JKSUJKDBSA-N 2 0 307.438 0.416 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001481069929 939547744 /nfs/dbraw/zinc/54/77/44/939547744.db2.gz DDHITQTXADLNTE-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C[C@@H](C)O)C(C)C)CC1 ZINC001481357405 939759498 /nfs/dbraw/zinc/75/94/98/939759498.db2.gz CGPIAWZXXRQAIA-MRXNPFEDSA-N 2 0 323.481 0.929 20 30 DCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001268137978 939956058 /nfs/dbraw/zinc/95/60/58/939956058.db2.gz OEUAQELAVMGUFP-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+]C/C=C\CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001268553819 940231798 /nfs/dbraw/zinc/23/17/98/940231798.db2.gz YIBZEPSXVCNAHQ-QGZUEGPWSA-N 2 0 307.438 0.773 20 30 DCEDRP C=CCN1C[C@@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001273144236 945324846 /nfs/dbraw/zinc/32/48/46/945324846.db2.gz OLLZGZUOGWDCDR-RDJZCZTQSA-N 2 0 307.438 0.818 20 30 DCEDRP C=CCNC(=O)[C@@H](C)N1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001269268572 940667494 /nfs/dbraw/zinc/66/74/94/940667494.db2.gz NMVCYERRBSYFGU-HUUCEWRRSA-N 2 0 324.469 0.552 20 30 DCEDRP C#CC[N@@H+](CCOC)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001269649588 940749554 /nfs/dbraw/zinc/74/95/54/940749554.db2.gz HYJWJLRSRYEJEE-UHFFFAOYSA-N 2 0 307.438 0.655 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001482438132 941221241 /nfs/dbraw/zinc/22/12/41/941221241.db2.gz BQHUGIKLWOEEEM-LSDHHAIUSA-N 2 0 324.469 0.455 20 30 DCEDRP C=C(C)C[NH+]1CC[C@](O)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001484223999 943217606 /nfs/dbraw/zinc/21/76/06/943217606.db2.gz PXSOIPXZPSPRNZ-RDJZCZTQSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CC[NH2+]C1CCN(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001484420437 943363619 /nfs/dbraw/zinc/36/36/19/943363619.db2.gz FJHOIVPTAXMAPE-MRXNPFEDSA-N 2 0 306.454 0.274 20 30 DCEDRP CC#CC[NH2+]C1CCN(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001484421335 943367848 /nfs/dbraw/zinc/36/78/48/943367848.db2.gz YHMOMRVDSBZEFJ-MRXNPFEDSA-N 2 0 308.470 0.520 20 30 DCEDRP C#CC[NH2+]C1CCN(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001484422573 943368542 /nfs/dbraw/zinc/36/85/42/943368542.db2.gz HJRWQOVQRGMIHJ-UHFFFAOYSA-N 2 0 320.481 0.522 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)CCCn2ccnc2)C1 ZINC001484449477 943394371 /nfs/dbraw/zinc/39/43/71/943394371.db2.gz FPDKIYBNNMAIEN-QGZVFWFLSA-N 2 0 318.421 0.630 20 30 DCEDRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]([NH2+]CC#CCOC)C1 ZINC001490895890 943581909 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DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001281136152 944208717 /nfs/dbraw/zinc/20/87/17/944208717.db2.gz AEURUDLZDCCVDD-KRWDZBQOSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001485883168 944377894 /nfs/dbraw/zinc/37/78/94/944377894.db2.gz ZUMYATIEOMGMDT-ZIAGYGMSSA-N 2 0 322.453 0.045 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001317015911 944741814 /nfs/dbraw/zinc/74/18/14/944741814.db2.gz JJSNOQFTFHIKPU-MRXNPFEDSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001317265244 944886521 /nfs/dbraw/zinc/88/65/21/944886521.db2.gz NNKVIZDRMNKFQW-KGLIPLIRSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001317321173 944923228 /nfs/dbraw/zinc/92/32/28/944923228.db2.gz FMVLXIFNMPXZNY-OAHLLOKOSA-N 2 0 317.437 0.520 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001317339223 944932746 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DCEDRP C#CCN(CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)CCOC ZINC001279048864 946771076 /nfs/dbraw/zinc/77/10/76/946771076.db2.gz DIZDACAASZTYMJ-MRXNPFEDSA-N 2 0 309.454 0.947 20 30 DCEDRP N#Cc1cccc(C[NH2+][C@H](CO)CNC(=O)C[NH+]2CCCC2)c1 ZINC001410782220 946934720 /nfs/dbraw/zinc/93/47/20/946934720.db2.gz HLYOFKWOBXZING-INIZCTEOSA-N 2 0 316.405 0.221 20 30 DCEDRP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C2)CC1 ZINC001261457240 947298900 /nfs/dbraw/zinc/29/89/00/947298900.db2.gz BWDJYSFAEBLQRB-DZGCQCFKSA-N 2 0 307.442 0.292 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N(CC)CCNCc1csnn1 ZINC001273427859 947350729 /nfs/dbraw/zinc/35/07/29/947350729.db2.gz MPYIAEPODZEHQS-AWEZNQCLSA-N 2 0 321.450 0.574 20 30 DCEDRP C=CCC[C@H](C)[NH+]1CC(O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001325275333 947734312 /nfs/dbraw/zinc/73/43/12/947734312.db2.gz YGIYOBHTAWGSOE-CABCVRRESA-N 2 0 309.454 0.846 20 30 DCEDRP C=CCC[C@H](C)[NH+]1CC(O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001325275336 947735061 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CC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001264634183 949036132 /nfs/dbraw/zinc/03/61/32/949036132.db2.gz KVUMKPPSKRXWMU-KRWDZBQOSA-N 2 0 321.465 0.637 20 30 DCEDRP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001264636448 949047636 /nfs/dbraw/zinc/04/76/36/949047636.db2.gz TXVNAXIGJYKDJG-DLBZAZTESA-N 2 0 321.465 0.637 20 30 DCEDRP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001329038535 949304643 /nfs/dbraw/zinc/30/46/43/949304643.db2.gz GYQMAHMUZYBGGO-HNNXBMFYSA-N 2 0 310.442 0.967 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001265251674 949496612 /nfs/dbraw/zinc/49/66/12/949496612.db2.gz PLBQOCSRCHVWRG-UHFFFAOYSA-N 2 0 320.481 0.475 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001265597224 949805933 /nfs/dbraw/zinc/80/59/33/949805933.db2.gz SZPGIQABNUZULA-DLBZAZTESA-N 2 0 321.465 0.806 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC#CCOC)C1 ZINC001265947761 950180484 /nfs/dbraw/zinc/18/04/84/950180484.db2.gz XMVMOWHOFZZLAR-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CC#CCOC)C1 ZINC001266116211 950385505 /nfs/dbraw/zinc/38/55/05/950385505.db2.gz HKPFFXDFSQRLGP-INIZCTEOSA-N 2 0 309.454 0.901 20 30 DCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001330608628 950545840 /nfs/dbraw/zinc/54/58/40/950545840.db2.gz SEOJKUQJKMEDOX-LSDHHAIUSA-N 2 0 308.426 0.625 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001490469762 950709801 /nfs/dbraw/zinc/70/98/01/950709801.db2.gz IXNLEAGAKKVBJJ-MRXNPFEDSA-N 2 0 306.454 0.228 20 30 DCEDRP COCC#CCN1CC[C@H]1CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001316604929 951022923 /nfs/dbraw/zinc/02/29/23/951022923.db2.gz MWDJOUYEOQQSGS-HOTGVXAUSA-N 2 0 307.438 0.511 20 30 DCEDRP C=C[C@](C)(O)C[N@H+]1CC[C@]2(CCN(Cc3cncn3C)C2=O)C1 ZINC001274617242 951743909 /nfs/dbraw/zinc/74/39/09/951743909.db2.gz WGXNXPVPKUMHML-IRXDYDNUSA-N 2 0 318.421 0.782 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001274663256 951773164 /nfs/dbraw/zinc/77/31/64/951773164.db2.gz SXUSHYQQJAINKN-LSDHHAIUSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCCC[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001274942538 951903387 /nfs/dbraw/zinc/90/33/87/951903387.db2.gz YPHPRJGEPQAKAL-OAHLLOKOSA-N 2 0 309.454 0.847 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001333120065 951925464 /nfs/dbraw/zinc/92/54/64/951925464.db2.gz MUUCUKMSHBEXOK-RUXDESIVSA-N 2 0 310.442 0.208 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCn2cccn2)CC1 ZINC001275038107 951941115 /nfs/dbraw/zinc/94/11/15/951941115.db2.gz FGKJBEQWZPAGQP-OAHLLOKOSA-N 2 0 317.437 0.323 20 30 DCEDRP C#CC[NH2+]CC(=O)N[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC001340995369 953206399 /nfs/dbraw/zinc/20/63/99/953206399.db2.gz RHELINOCAFLRAF-OAHLLOKOSA-N 2 0 313.401 0.971 20 30 DCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001281810172 953371228 /nfs/dbraw/zinc/37/12/28/953371228.db2.gz QFVYMVXGFVIUMM-MRXNPFEDSA-N 2 0 321.465 0.826 20 30 DCEDRP CC#CC[NH+]1CCC(CO)(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001281818475 953375473 /nfs/dbraw/zinc/37/54/73/953375473.db2.gz ZVFHXMSDVVBHRO-HNNXBMFYSA-N 2 0 307.438 0.295 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1[NH+]1CCC(O)CC1 ZINC001348981284 954554230 /nfs/dbraw/zinc/55/42/30/954554230.db2.gz WYLPFHZUKSKWMK-HZPDHXFCSA-N 2 0 309.454 0.988 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CC1(C)C ZINC001284336839 955018290 /nfs/dbraw/zinc/01/82/90/955018290.db2.gz WBKSYKWMIMTSHG-UONOGXRCSA-N 2 0 324.469 0.455 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001284446199 955102217 /nfs/dbraw/zinc/10/22/17/955102217.db2.gz COCSJXHUOWZXJG-CVEARBPZSA-N 2 0 309.454 0.683 20 30 DCEDRP N#CCCC[C@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001358104111 957425556 /nfs/dbraw/zinc/42/55/56/957425556.db2.gz SEYQGJBVNVCBJO-XHSDSOJGSA-N 3 0 319.453 0.435 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001367582233 958111998 /nfs/dbraw/zinc/11/19/98/958111998.db2.gz NSMWODHQSKFXCK-CHWSQXEVSA-N 2 0 303.834 0.678 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001367582248 958112659 /nfs/dbraw/zinc/11/26/59/958112659.db2.gz NSMWODHQSKFXCK-STQMWFEESA-N 2 0 303.834 0.678 20 30 DCEDRP C=C(Br)C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC001367623591 958206707 /nfs/dbraw/zinc/20/67/07/958206707.db2.gz BSGFBMUPLULKFF-NSHDSACASA-N 2 0 322.247 0.302 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCC[C@@H](C)O)CC1 ZINC001491682506 959045783 /nfs/dbraw/zinc/04/57/83/959045783.db2.gz MBZCTSFZLWCIGB-HUUCEWRRSA-N 2 0 309.454 0.587 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001368576005 960050119 /nfs/dbraw/zinc/05/01/19/960050119.db2.gz IPCAVXLFNIDHQL-MGPQQGTHSA-N 2 0 315.845 0.896 20 30 DCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC001379217243 962390237 /nfs/dbraw/zinc/39/02/37/962390237.db2.gz ANCBUZMRNCZYTM-JKSUJKDBSA-N 2 0 316.405 0.219 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001374624639 965657189 /nfs/dbraw/zinc/65/71/89/965657189.db2.gz OVVPLTBPSACXDG-ZIAGYGMSSA-N 2 0 317.861 0.926 20 30 DCEDRP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001382212580 967076895 /nfs/dbraw/zinc/07/68/95/967076895.db2.gz MQHMHWMEOUTTHW-JKSUJKDBSA-N 2 0 318.421 0.465 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001448495897 1013931908 /nfs/dbraw/zinc/93/19/08/1013931908.db2.gz GBDNODJDSGHOQN-AVGNSLFASA-N 2 0 301.818 0.554 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C[NH2+]CCO)C2CC2)CC1 ZINC001507034105 1015907417 /nfs/dbraw/zinc/90/74/17/1015907417.db2.gz CMCPFTIENZKFHQ-INIZCTEOSA-N 2 0 307.438 0.151 20 30 DCEDRP COCC#CC[NH2+]CC1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001505518664 1016283719 /nfs/dbraw/zinc/28/37/19/1016283719.db2.gz RNGAWEMZPDCCPW-QQFBHYJXSA-N 2 0 307.438 0.462 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001401552594 1000488542 /nfs/dbraw/zinc/48/85/42/1000488542.db2.gz CLCJCXWKHXNHLH-CYBMUJFWSA-N 2 0 303.834 0.538 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)[C@@H](CC)C(N)=O)CC1 ZINC001506065912 1016973631 /nfs/dbraw/zinc/97/36/31/1016973631.db2.gz YIKRMNCWPPRAFE-HIFRSBDPSA-N 2 0 322.453 0.032 20 30 DCEDRP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001506847673 1017610262 /nfs/dbraw/zinc/61/02/62/1017610262.db2.gz QCYKSMFTAMWIGH-CVEARBPZSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[N@@H+](CCCNC(=O)C1CC[NH+](CC#C)CC1)C1CC1 ZINC001479881219 1017934074 /nfs/dbraw/zinc/93/40/74/1017934074.db2.gz WFUKOFWJXMFCNB-UHFFFAOYSA-N 2 0 301.434 0.936 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]C[C@H]3CCOC3)CC2)CC1 ZINC001499459354 1017940568 /nfs/dbraw/zinc/94/05/68/1017940568.db2.gz XKAGKUVAPKBPAX-OAHLLOKOSA-N 2 0 319.449 0.607 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001479939694 1018011702 /nfs/dbraw/zinc/01/17/02/1018011702.db2.gz DQGFUHALSMPWGB-MRXNPFEDSA-N 2 0 306.454 0.085 20 30 DCEDRP CC#CC[NH2+][C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)C1CC1 ZINC001480021027 1018132057 /nfs/dbraw/zinc/13/20/57/1018132057.db2.gz MBSKPNNNWHTODC-INIZCTEOSA-N 2 0 317.437 0.566 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001480020465 1018132699 /nfs/dbraw/zinc/13/26/99/1018132699.db2.gz SKSSKJACOFIMRZ-IAGOWNOFSA-N 2 0 321.465 0.993 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001480020467 1018133376 /nfs/dbraw/zinc/13/33/76/1018133376.db2.gz SKSSKJACOFIMRZ-SJORKVTESA-N 2 0 321.465 0.993 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001495578492 1018582735 /nfs/dbraw/zinc/58/27/35/1018582735.db2.gz UIVIUVFTMGNXQL-LSDHHAIUSA-N 2 0 322.453 0.211 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001498306487 1018927899 /nfs/dbraw/zinc/92/78/99/1018927899.db2.gz QMDOYOVBTJKNRM-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)C[C@@H](C)OC)CC1 ZINC001498457936 1019139234 /nfs/dbraw/zinc/13/92/34/1019139234.db2.gz VFMVVSGZUZORCE-LSDHHAIUSA-N 2 0 309.454 0.803 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001493252946 1019256783 /nfs/dbraw/zinc/25/67/83/1019256783.db2.gz AZXCZBVLMGRGIM-HOTGVXAUSA-N 2 0 309.454 0.661 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001496365034 1019268644 /nfs/dbraw/zinc/26/86/44/1019268644.db2.gz WKEFZMMDSHFSQL-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)CCO1 ZINC001502056307 1019667680 /nfs/dbraw/zinc/66/76/80/1019667680.db2.gz URRMCYFNYFZQRL-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2cnn(C)c2)CC1 ZINC001493806299 1019727279 /nfs/dbraw/zinc/72/72/79/1019727279.db2.gz GRKRPCVKNQRJSV-UHFFFAOYSA-N 2 0 317.437 0.313 20 30 DCEDRP C[N@H+](CCCO)C1CCN(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000330880761 396865628 /nfs/dbraw/zinc/86/56/28/396865628.db2.gz YPMQBIFDZDOFST-UHFFFAOYSA-N 2 0 312.458 0.773 20 30 DCEDRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)C1 ZINC000592145126 397103335 /nfs/dbraw/zinc/10/33/35/397103335.db2.gz ODSFMTULQDMVQY-GJZGRUSLSA-N 2 0 307.442 0.246 20 30 DCEDRP C[NH+]1CCC(C[NH2+]C[C@@H](C#N)CCC#N)(N2CCOCC2)CC1 ZINC000579222608 397536604 /nfs/dbraw/zinc/53/66/04/397536604.db2.gz BEFZLHXGQJZZDF-MRXNPFEDSA-N 2 0 319.453 0.816 20 30 DCEDRP C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174723963 416086717 /nfs/dbraw/zinc/08/67/17/416086717.db2.gz QQNUWILEPBWAES-HNNXBMFYSA-N 2 0 309.458 0.316 20 30 DCEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C(C)C ZINC000419564698 416403971 /nfs/dbraw/zinc/40/39/71/416403971.db2.gz CREHNNSIIHMREI-CABCVRRESA-N 2 0 322.453 0.279 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000491683401 416614813 /nfs/dbraw/zinc/61/48/13/416614813.db2.gz YMIOCYJDIQHEHL-MRXNPFEDSA-N 2 0 306.454 0.973 20 30 DCEDRP C#CCNC(=O)CC[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000491625448 416607234 /nfs/dbraw/zinc/60/72/34/416607234.db2.gz HVFBDTIDWRKJAU-UHFFFAOYSA-N 2 0 304.394 0.251 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000491166855 416589625 /nfs/dbraw/zinc/58/96/25/416589625.db2.gz UVTYVOBSOUEXMZ-UHFFFAOYSA-N 2 0 313.361 0.344 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000491743551 416622285 /nfs/dbraw/zinc/62/22/85/416622285.db2.gz XQIREDLQOXRWJX-OAHLLOKOSA-N 2 0 310.442 0.088 20 30 DCEDRP C[NH+]1C[C@H]2CCN(CC#CCN3CC[C@H]4C[N@@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000644733065 417651055 /nfs/dbraw/zinc/65/10/55/417651055.db2.gz LGGCLXGYBHYWTC-USTZCAOPSA-N 2 0 302.466 0.262 20 30 DCEDRP C=CC[C@@]1(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCC[NH2+]1 ZINC000662749567 417885816 /nfs/dbraw/zinc/88/58/16/417885816.db2.gz FAFYOHLCJMLRHM-RDJZCZTQSA-N 2 0 307.438 0.865 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659703862 418153607 /nfs/dbraw/zinc/15/36/07/418153607.db2.gz IYMIPGUXEWYJMN-UHFFFAOYSA-N 2 0 308.426 0.141 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000659703826 418153969 /nfs/dbraw/zinc/15/39/69/418153969.db2.gz HNNOWHFSQSZVNS-HIFRSBDPSA-N 2 0 322.453 0.339 20 30 DCEDRP C[C@H]1C[N@H+](CC#CC[NH+]2C[C@@H](C)[C@](C)(CO)C2)C[C@]1(C)CO ZINC000662142625 418383594 /nfs/dbraw/zinc/38/35/94/418383594.db2.gz JHRMPSVVJIFSBL-FZDBZEDMSA-N 2 0 308.466 0.890 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662448732 418410375 /nfs/dbraw/zinc/41/03/75/418410375.db2.gz QXOHQMZPTSDVNH-LBPRGKRZSA-N 2 0 303.410 0.867 20 30 DCEDRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000329795242 336082704 /nfs/dbraw/zinc/08/27/04/336082704.db2.gz CQUDZJZXZHYAPP-IIAWOOMASA-N 2 0 323.485 0.609 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000188714672 337199386 /nfs/dbraw/zinc/19/93/86/337199386.db2.gz CIVQEEPIWPWTEI-OAHLLOKOSA-N 2 0 321.465 0.635 20 30 DCEDRP CCOC(=O)N1CCC(NC(=[NH2+])NCC(C)(C)[NH+](C)C)CC1 ZINC000303774493 340346142 /nfs/dbraw/zinc/34/61/42/340346142.db2.gz FYLRNGWSEYECQN-UHFFFAOYSA-N 2 0 313.446 0.852 20 30 DCEDRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CC[N@H+](C)C2)CC1 ZINC000303906756 340353179 /nfs/dbraw/zinc/35/31/79/340353179.db2.gz WHHKVXYJGNAYAY-LBPRGKRZSA-N 2 0 311.430 0.463 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001567215515 1160275467 /nfs/dbraw/zinc/27/54/67/1160275467.db2.gz ZSWNFUMCLMNUON-HZPDHXFCSA-N 2 0 309.454 0.993 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@H](C[NH2+]CCC)C2)CC1 ZINC001570163193 1161461839 /nfs/dbraw/zinc/46/18/39/1161461839.db2.gz DOCAWYVNQBHKSN-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP C[C@H]1C[NH+]=C(NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)N1 ZINC000262644484 533989459 /nfs/dbraw/zinc/98/94/59/533989459.db2.gz IRBGREHZWFHNDE-LBPRGKRZSA-N 2 0 309.458 0.550 20 30 DCEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCC(O)CC1 ZINC000262803730 526350304 /nfs/dbraw/zinc/35/03/04/526350304.db2.gz RVIFGCSQFCUQSN-UHFFFAOYSA-N 2 0 324.469 0.664 20 30 DCEDRP C[NH+]=C(NCc1ccnc(C)n1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261950661 526386675 /nfs/dbraw/zinc/38/66/75/526386675.db2.gz HFXFOUQGAJBMQA-IAQYHMDHSA-N 2 0 302.426 0.933 20 30 DCEDRP C=CCNC(=[NH2+])NCc1ccc(CNC(=[NH2+])NCC=C)cc1 ZINC000274155611 526388755 /nfs/dbraw/zinc/38/87/55/526388755.db2.gz DLPTTYUOVPFESP-UHFFFAOYSA-N 2 0 300.410 0.867 20 30 DCEDRP C=C(C)CNC(=[NH2+])NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000264118585 526574734 /nfs/dbraw/zinc/57/47/34/526574734.db2.gz UBOKCMXIZSBCDT-MRXNPFEDSA-N 2 0 302.422 0.886 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCn1cc([N+](=O)[O-])cn1 ZINC000269073576 529100473 /nfs/dbraw/zinc/10/04/73/529100473.db2.gz HDCNHYDXYBJUTH-NSHDSACASA-N 2 0 309.374 0.180 20 30 DCEDRP C=CCC[NH2+]CC1(O)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001674091548 1175252338 /nfs/dbraw/zinc/25/23/38/1175252338.db2.gz MGJNUAYCDZVHHT-UHFFFAOYSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2cccnc2)N(C)C)C1 ZINC000980501830 660950157 /nfs/dbraw/zinc/95/01/57/660950157.db2.gz DIMZIZXSZGKLNA-HZPDHXFCSA-N 2 0 300.406 0.850 20 30 DCEDRP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000981646169 661189213 /nfs/dbraw/zinc/18/92/13/661189213.db2.gz IFNVARLTSOSVEB-PQUAAJSLSA-N 2 0 319.449 0.960 20 30 DCEDRP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001023499752 657935454 /nfs/dbraw/zinc/93/54/54/657935454.db2.gz GIJKMXXEOWXXBG-JBCIKUTRSA-N 2 0 317.433 0.311 20 30 DCEDRP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001023553215 657981523 /nfs/dbraw/zinc/98/15/23/657981523.db2.gz XRGVHSNWQZFWOX-IRXDYDNUSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001023757866 658209756 /nfs/dbraw/zinc/20/97/56/658209756.db2.gz PIACNYPSAITNQD-HOTGVXAUSA-N 2 0 307.438 0.559 20 30 DCEDRP C=C(C)CN1CCO[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC000972295635 658530670 /nfs/dbraw/zinc/53/06/70/658530670.db2.gz WISJNQHWUKRIQN-NVXWUHKLSA-N 2 0 307.438 0.960 20 30 DCEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001027413955 659424714 /nfs/dbraw/zinc/42/47/14/659424714.db2.gz BQYDIOIFJTVLSH-HNNXBMFYSA-N 2 0 317.437 0.614 20 30 DCEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N(C)Cc1ccon1 ZINC000261745552 661609564 /nfs/dbraw/zinc/60/95/64/661609564.db2.gz LDSZMHHRULXQAH-CQSZACIVSA-N 2 0 306.414 0.072 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001028592879 661662687 /nfs/dbraw/zinc/66/26/87/661662687.db2.gz UUELVYVSHFJKBS-DOTOQJQBSA-N 2 0 319.449 0.701 20 30 DCEDRP C#CC[N@@H+](C)C1CCN(C(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC000985803644 662515201 /nfs/dbraw/zinc/51/52/01/662515201.db2.gz HSPSPRGKHNRJII-UHFFFAOYSA-N 2 0 301.434 0.888 20 30 DCEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1C[C@H](C)C[C@@H](C)C1 ZINC000262816400 662586392 /nfs/dbraw/zinc/58/63/92/662586392.db2.gz WUURBGBSBZAOAO-BZUAXINKSA-N 2 0 307.486 0.930 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CC[NH+](CCCCCO)CC1 ZINC000913691286 664713505 /nfs/dbraw/zinc/71/35/05/664713505.db2.gz RAGCNNXCFPFULO-INIZCTEOSA-N 2 0 307.438 0.391 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000914397037 664776448 /nfs/dbraw/zinc/77/64/48/664776448.db2.gz LBFPSIZDWJQRSK-UHFFFAOYSA-N 2 0 322.453 0.494 20 30 DCEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779115 666651133 /nfs/dbraw/zinc/65/11/33/666651133.db2.gz GWIWBQAKACXPAV-MWDXBVQZSA-N 2 0 303.450 0.988 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001034045015 666906474 /nfs/dbraw/zinc/90/64/74/666906474.db2.gz HHSRPUAILBBRHO-MRXNPFEDSA-N 2 0 307.438 0.247 20 30 DCEDRP C#CC[NH2+]C1CCN(C(=O)[C@H]2COCCN2CCCC)CC1 ZINC000996859526 666955945 /nfs/dbraw/zinc/95/59/45/666955945.db2.gz TZAWEZZKZIXOLP-MRXNPFEDSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)COC1CC[NH+](C)CC1)CC2 ZINC001035824684 667412315 /nfs/dbraw/zinc/41/23/15/667412315.db2.gz OOBUNIMYGVMMKH-UHFFFAOYSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C[C@@H]1C ZINC001036310921 667435315 /nfs/dbraw/zinc/43/53/15/667435315.db2.gz NFUZWBCMOWOZPG-DOTOQJQBSA-N 2 0 301.434 0.791 20 30 DCEDRP COCC[N@H+](C)CCCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884192345 667494069 /nfs/dbraw/zinc/49/40/69/667494069.db2.gz CTBWNOOONYXCRY-BBBYJDLNSA-N 2 0 308.426 0.210 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884214214 667500593 /nfs/dbraw/zinc/50/05/93/667500593.db2.gz WKCVEJFJHKNYGY-XOYHFGRZSA-N 2 0 302.422 0.892 20 30 DCEDRP C[C@@H]1C[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[N@@H+]1C1CC1 ZINC000884233318 667506158 /nfs/dbraw/zinc/50/61/58/667506158.db2.gz NZCIRSYQRDXSAB-LZLPTKFFSA-N 2 0 302.422 0.867 20 30 DCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CC[NH2+]C13CCCC3)C2 ZINC000884376734 667534201 /nfs/dbraw/zinc/53/42/01/667534201.db2.gz PLEWCFBHJLUZTF-IOSBVQAASA-N 2 0 302.422 0.917 20 30 DCEDRP CN(CCC[NH+](C)C)CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884401463 667538292 /nfs/dbraw/zinc/53/82/92/667538292.db2.gz QPVRAFZQATUKCY-CKDBGZEDSA-N 2 0 321.469 0.125 20 30 DCEDRP C[NH+](C)C[C@@H]1CN(C(=O)c2coc(C#N)c2)C[C@H]1C[NH+](C)C ZINC000870025300 667699328 /nfs/dbraw/zinc/69/93/28/667699328.db2.gz QHMHEOWKOZVSHG-ZIAGYGMSSA-N 2 0 304.394 0.963 20 30 DCEDRP CC1(C)[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925603132 668334364 /nfs/dbraw/zinc/33/43/64/668334364.db2.gz IAMXNKKSBOIBSW-RDBKNEESSA-N 2 0 318.421 0.879 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000876712750 668492901 /nfs/dbraw/zinc/49/29/01/668492901.db2.gz JIJZOKFJOBAYFF-OLZOCXBDSA-N 2 0 303.834 0.929 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000876712752 668492980 /nfs/dbraw/zinc/49/29/80/668492980.db2.gz JIJZOKFJOBAYFF-STQMWFEESA-N 2 0 303.834 0.929 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877327972 668602259 /nfs/dbraw/zinc/60/22/59/668602259.db2.gz ZXZHDHWBCDSLNS-RYUDHWBXSA-N 2 0 301.818 0.731 20 30 DCEDRP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)[C@@H]2CCC[C@@H]21 ZINC000796816089 669942971 /nfs/dbraw/zinc/94/29/71/669942971.db2.gz JMZRJEQWSDAGSY-KQTKOKHLSA-N 2 0 318.421 0.975 20 30 DCEDRP CC[NH+]1CCN([C@@H](C)CNC(NCc2ccco2)=[NH+]C)CC1 ZINC000848986955 670746110 /nfs/dbraw/zinc/74/61/10/670746110.db2.gz LSBFGZQMMLXGGL-AWEZNQCLSA-N 2 0 307.442 0.971 20 30 DCEDRP C[C@H]1C[NH+]=C(NCCCC[NH+]2CCN(c3ncccn3)CC2)N1 ZINC000849003130 670747909 /nfs/dbraw/zinc/74/79/09/670747909.db2.gz JUJWUUMIFXSIGL-AWEZNQCLSA-N 2 0 317.441 0.316 20 30 DCEDRP C=CC[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccncc1 ZINC000819074090 671091735 /nfs/dbraw/zinc/09/17/35/671091735.db2.gz LIYWYYGGBHMXCK-SJORKVTESA-N 2 0 304.438 0.897 20 30 DCEDRP C=CC[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccncc1 ZINC000819074087 671091865 /nfs/dbraw/zinc/09/18/65/671091865.db2.gz LIYWYYGGBHMXCK-DLBZAZTESA-N 2 0 304.438 0.897 20 30 DCEDRP C[C@@H]1C[N@@H+](CCCNC(=O)C#CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000852857319 671175769 /nfs/dbraw/zinc/17/57/69/671175769.db2.gz PFVBEIHBABOUQG-GASCZTMLSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CCO[C@@H](C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000822952759 671357044 /nfs/dbraw/zinc/35/70/44/671357044.db2.gz YBVNYMILMBXLFD-HOTGVXAUSA-N 2 0 309.454 0.899 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@@H](C)NC(=O)C(=C)C[NH+](C)C ZINC000834376248 671757402 /nfs/dbraw/zinc/75/74/02/671757402.db2.gz NAKVJJDWPQDBSR-ZIAGYGMSSA-N 2 0 310.442 0.231 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCN1CCC[NH+](C)CC1 ZINC000303977473 685209821 /nfs/dbraw/zinc/20/98/21/685209821.db2.gz LDQPSKXMTBFCML-INIZCTEOSA-N 3 0 324.517 0.403 20 30 DCEDRP C=CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958266664 687495049 /nfs/dbraw/zinc/49/50/49/687495049.db2.gz BBNDSHCQQAAUCC-DZGCQCFKSA-N 2 0 300.362 0.543 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014709168 692077812 /nfs/dbraw/zinc/07/78/12/692077812.db2.gz AVTZBOTXLXGXKR-RDJZCZTQSA-N 2 0 319.449 0.844 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015324184 692264467 /nfs/dbraw/zinc/26/44/67/692264467.db2.gz MQDVYNYCWACMQN-KRIMKBQASA-N 2 0 303.406 0.063 20 30 DCEDRP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001073677897 694766228 /nfs/dbraw/zinc/76/62/28/694766228.db2.gz VUCSDUZVDXGYPQ-INIZCTEOSA-N 2 0 319.449 0.845 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077007560 695123811 /nfs/dbraw/zinc/12/38/11/695123811.db2.gz RQQDLOKCLYNMST-ARFHVFGLSA-N 2 0 307.438 0.456 20 30 DCEDRP C#CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[N@@H+](C)CCC)CCO1 ZINC001571001488 1162665878 /nfs/dbraw/zinc/66/58/78/1162665878.db2.gz JSBXKVLOCFTUPZ-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CC[NH2+][C@H](CO)CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001571443925 1162759539 /nfs/dbraw/zinc/75/95/39/1162759539.db2.gz BCQZAGIWMHIRBN-IRXDYDNUSA-N 2 0 317.433 0.769 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001691352526 1157650913 /nfs/dbraw/zinc/65/09/13/1157650913.db2.gz ZNVGYCPJCWEXGS-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001752872182 1158422325 /nfs/dbraw/zinc/42/23/25/1158422325.db2.gz AZFWNOWIFUZXDM-ZIAGYGMSSA-N 2 0 310.442 0.256 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001670903213 1158622924 /nfs/dbraw/zinc/62/29/24/1158622924.db2.gz BRTLKPRNITZLDM-KBPBESRZSA-N 2 0 322.453 0.400 20 30 DCEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001688553664 1158644193 /nfs/dbraw/zinc/64/41/93/1158644193.db2.gz ASQDMHBAIHGHIU-ZIAGYGMSSA-N 2 0 305.426 0.564 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCCOC)C2)CC1 ZINC001565856599 1159913534 /nfs/dbraw/zinc/91/35/34/1159913534.db2.gz OGKLZVCKCZOUMX-WOVMCDHWSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001566871804 1160173453 /nfs/dbraw/zinc/17/34/53/1160173453.db2.gz LGLYYKITDUNVKB-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001566890460 1160178111 /nfs/dbraw/zinc/17/81/11/1160178111.db2.gz RRFPJILZMWLISF-HUUCEWRRSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001567017032 1160210487 /nfs/dbraw/zinc/21/04/87/1160210487.db2.gz RWNFUAGGNJSRPP-CQSZACIVSA-N 2 0 324.469 0.647 20 30 DCEDRP COCC#CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)C(C)C ZINC001567653610 1160449157 /nfs/dbraw/zinc/44/91/57/1160449157.db2.gz XLQWYKZSOMHDLN-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]CC#CCOC ZINC001567990601 1160558268 /nfs/dbraw/zinc/55/82/68/1160558268.db2.gz LAHFHNKDGSXNAB-INIZCTEOSA-N 2 0 309.454 0.997 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]CC#CCOC)CC[N@@H+]1C ZINC001569204242 1160977082 /nfs/dbraw/zinc/97/70/82/1160977082.db2.gz HCXRERPERJQZND-JKSUJKDBSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001569235683 1160989656 /nfs/dbraw/zinc/98/96/56/1160989656.db2.gz CCOYVORIJKXTND-CQSZACIVSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001569567562 1161151104 /nfs/dbraw/zinc/15/11/04/1161151104.db2.gz YVFSMZUJJHVSDA-CABCVRRESA-N 2 0 322.453 0.045 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001569626261 1161166889 /nfs/dbraw/zinc/16/68/89/1161166889.db2.gz JWQHTPJVNOVIQJ-MRXNPFEDSA-N 2 0 320.481 0.733 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001569829342 1161280803 /nfs/dbraw/zinc/28/08/03/1161280803.db2.gz XHNPMTMHMQTMEO-JKSUJKDBSA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCC[NH2+]C1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001569883914 1161293868 /nfs/dbraw/zinc/29/38/68/1161293868.db2.gz HWXQMGFJAQBBPE-MRXNPFEDSA-N 2 0 308.470 0.827 20 30 DCEDRP C=CC[NH2+]C1(CNC(=O)c2cnn(CC[NH+](C)C)c2)CCC1 ZINC001570120787 1161425573 /nfs/dbraw/zinc/42/55/73/1161425573.db2.gz AHMFRRANHBOTON-UHFFFAOYSA-N 2 0 305.426 0.873 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001570370069 1161583798 /nfs/dbraw/zinc/58/37/98/1161583798.db2.gz NVMGFQNGWVPBKI-AWEZNQCLSA-N 2 0 322.453 0.354 20 30 DCEDRP CC(C)[NH+]1CCC(O)(CNC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC001575699755 1164111186 /nfs/dbraw/zinc/11/11/86/1164111186.db2.gz KPWXHBOZFCAAJN-CQSZACIVSA-N 2 0 310.442 0.749 20 30 DCEDRP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1C[N@H+](C[C@@H](O)CC1(C#N)CCC1)C2 ZINC001578842637 1165138160 /nfs/dbraw/zinc/13/81/60/1165138160.db2.gz QSEBCZMHNBKYIM-XJIUQZFPSA-N 2 0 321.421 0.644 20 30 DCEDRP N#CC1(C[C@@H](O)C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)CCOCC1 ZINC001580038559 1165481554 /nfs/dbraw/zinc/48/15/54/1165481554.db2.gz OEXSPASZYJHPDQ-HZPDHXFCSA-N 2 0 322.453 0.037 20 30 DCEDRP C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC[C@@H]21 ZINC001646151429 1172275150 /nfs/dbraw/zinc/27/51/50/1172275150.db2.gz HILLAIXOYUASMG-GQGDVANPSA-N 2 0 302.422 0.678 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001646794146 1172536435 /nfs/dbraw/zinc/53/64/35/1172536435.db2.gz BUBABZMXICYNQI-HZMBPMFUSA-N 2 0 309.801 0.453 20 30 DCEDRP C#CCC[N@@H+](C)CCOCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001656860126 1173889956 /nfs/dbraw/zinc/88/99/56/1173889956.db2.gz NMUVEBTWMJIXRC-KRWDZBQOSA-N 2 0 321.465 0.758 20 30 DCEDRP C#CCC[NH2+][C@@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001661192371 1174105423 /nfs/dbraw/zinc/10/54/23/1174105423.db2.gz BBRBPDLXRMLILB-ZBFHGGJFSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001661436559 1174126663 /nfs/dbraw/zinc/12/66/63/1174126663.db2.gz HFFDEMWSQSKHLV-SHTZXODSSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001663620968 1174335136 /nfs/dbraw/zinc/33/51/36/1174335136.db2.gz SUPQUWDUJOGOCM-CABCVRRESA-N 2 0 322.453 0.069 20 30 DCEDRP COCC#CCN1CCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001665023056 1174474576 /nfs/dbraw/zinc/47/45/76/1174474576.db2.gz GEPCIGNRQGSMRI-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001667836926 1174721554 /nfs/dbraw/zinc/72/15/54/1174721554.db2.gz KSBQWAWMLHQYJV-CVEARBPZSA-N 2 0 307.438 0.483 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001669020477 1174877408 /nfs/dbraw/zinc/87/74/08/1174877408.db2.gz CGGKZWBSQDXEDS-VBROQKIQSA-N 2 0 322.453 0.281 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001669981174 1174967312 /nfs/dbraw/zinc/96/73/12/1174967312.db2.gz NXVARDYLIRVHBZ-SJORKVTESA-N 2 0 321.465 0.997 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@H](C[NH2+]CCCC)C2)CC1 ZINC001673341951 1175193650 /nfs/dbraw/zinc/19/36/50/1175193650.db2.gz IQRYCXIVDDRHSJ-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001673671878 1175222230 /nfs/dbraw/zinc/22/22/30/1175222230.db2.gz QGPPYRCTICKVHM-WMZOPIPTSA-N 2 0 321.465 0.826 20 30 DCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001673709573 1175226850 /nfs/dbraw/zinc/22/68/50/1175226850.db2.gz SNDKUIJFOJZLBJ-WBVHZDCISA-N 2 0 309.454 0.990 20 30 DCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001673709572 1175227147 /nfs/dbraw/zinc/22/71/47/1175227147.db2.gz SNDKUIJFOJZLBJ-RDJZCZTQSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCOCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001674925894 1175308712 /nfs/dbraw/zinc/30/87/12/1175308712.db2.gz REKGTSQHZJUBOA-ZBFHGGJFSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001689210510 1176744259 /nfs/dbraw/zinc/74/42/59/1176744259.db2.gz LBXUMGCIWQWNMM-QGZVFWFLSA-N 2 0 321.465 0.781 20 30 DCEDRP C#CCNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001689807426 1177065122 /nfs/dbraw/zinc/06/51/22/1177065122.db2.gz UWCYOOACIOVKSY-AWEZNQCLSA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[N@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001689890956 1177105470 /nfs/dbraw/zinc/10/54/70/1177105470.db2.gz KYAYNPNBWRWLOJ-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001690063339 1177157556 /nfs/dbraw/zinc/15/75/56/1177157556.db2.gz ZAHVEOSRXGUAOF-MRXNPFEDSA-N 2 0 308.470 0.781 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H](C)CNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001690584852 1177275301 /nfs/dbraw/zinc/27/53/01/1177275301.db2.gz UTWUJJRFOMSBOT-HIFRSBDPSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CCCO)C2)CC1 ZINC001690757588 1177319704 /nfs/dbraw/zinc/31/97/04/1177319704.db2.gz LXEPESQKNFCMBV-OAHLLOKOSA-N 2 0 307.438 0.152 20 30 DCEDRP COCC#CC[NH2+]C[C@@](C)(NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001698650905 1177600724 /nfs/dbraw/zinc/60/07/24/1177600724.db2.gz FBMNRJIGGXUTEP-MAUKXSAKSA-N 2 0 321.465 0.853 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001698931130 1177726814 /nfs/dbraw/zinc/72/68/14/1177726814.db2.gz GJWDXIBZMJSAJJ-CVEARBPZSA-N 2 0 309.454 0.805 20 30 DCEDRP CCN(CC[NH2+]CC#CCOC)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001699219679 1177952753 /nfs/dbraw/zinc/95/27/53/1177952753.db2.gz GDKCUFFIJHLUCK-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001699316715 1178060942 /nfs/dbraw/zinc/06/09/42/1178060942.db2.gz UWJYWFWCAGSZBA-MQTUYHIVSA-N 2 0 319.449 0.915 20 30 DCEDRP COCC#CC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699529458 1178183949 /nfs/dbraw/zinc/18/39/49/1178183949.db2.gz NOMGWMZFADUTRX-HOTGVXAUSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001699654667 1178240777 /nfs/dbraw/zinc/24/07/77/1178240777.db2.gz CCBNDESYYIROAB-JKSUJKDBSA-N 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1178883793 /nfs/dbraw/zinc/88/37/93/1178883793.db2.gz IVZLPWKKGNGNOZ-UHFFFAOYSA-N 2 0 301.434 0.934 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001707088214 1180415777 /nfs/dbraw/zinc/41/57/77/1180415777.db2.gz BXAFBMMHTVTUFJ-RBSFLKMASA-N 2 0 322.453 0.115 20 30 DCEDRP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001707208814 1180433816 /nfs/dbraw/zinc/43/38/16/1180433816.db2.gz MPPXFLRQWJLNIH-OAHLLOKOSA-N 2 0 309.454 0.800 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001713134871 1180692566 /nfs/dbraw/zinc/69/25/66/1180692566.db2.gz WJTYBGRNEBFQSJ-MRXNPFEDSA-N 2 0 309.454 0.758 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001713159084 1180701282 /nfs/dbraw/zinc/70/12/82/1180701282.db2.gz OHTFURNHDDTEQI-RBSFLKMASA-N 2 0 322.453 0.398 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001713321450 1180767897 /nfs/dbraw/zinc/76/78/97/1180767897.db2.gz PFIPBLMLNMNNDI-HOTGVXAUSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001713517189 1180888449 /nfs/dbraw/zinc/88/84/49/1180888449.db2.gz FDFWGQWQFMOUPH-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP CC#CC[NH2+][C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001713884140 1181128594 /nfs/dbraw/zinc/12/85/94/1181128594.db2.gz QXKGYJKTFCXGAU-GOEBONIOSA-N 2 0 307.438 0.462 20 30 DCEDRP COCC#CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001714139899 1181259495 /nfs/dbraw/zinc/25/94/95/1181259495.db2.gz XQIYZBWDCMMQLM-OAHLLOKOSA-N 2 0 307.438 0.749 20 30 DCEDRP C#CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001714255254 1181296233 /nfs/dbraw/zinc/29/62/33/1181296233.db2.gz UZILXYUHAZSSGN-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001714316697 1181318741 /nfs/dbraw/zinc/31/87/41/1181318741.db2.gz XWGMZFHWQOUTOM-OAHLLOKOSA-N 2 0 322.453 0.213 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001714917203 1181600379 /nfs/dbraw/zinc/60/03/79/1181600379.db2.gz DYQASEQRDLMDFV-SOUVJXGZSA-N 2 0 322.453 0.045 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+][C@@H](C)COC)CC1 ZINC001715085232 1181683734 /nfs/dbraw/zinc/68/37/34/1181683734.db2.gz KVWVBKLJMVYMRG-GOEBONIOSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+][C@@H](CC)C(N)=O)CC1 ZINC001715709495 1181950929 /nfs/dbraw/zinc/95/09/29/1181950929.db2.gz SLFPSZJFOSQKDS-HIFRSBDPSA-N 2 0 322.453 0.080 20 30 DCEDRP COCC#CC[NH2+]C/C=C/CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001715875904 1182069381 /nfs/dbraw/zinc/06/93/81/1182069381.db2.gz SRNVIEPZSFPGLU-VOTSOKGWSA-N 2 0 309.454 0.876 20 30 DCEDRP C=CCN1CC[C@@H]([N@@H+](C)C[C@H](C)NC(=O)C[NH+]2CCCC2)C1=O ZINC001716506278 1182419252 /nfs/dbraw/zinc/41/92/52/1182419252.db2.gz YWVKLTUBCCMDGB-LSDHHAIUSA-N 2 0 322.453 0.306 20 30 DCEDRP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001716920539 1182574576 /nfs/dbraw/zinc/57/45/76/1182574576.db2.gz XRXHEHWDGKVYQR-SJLPKXTDSA-N 2 0 319.449 0.580 20 30 DCEDRP C=CC[N@H+]1CC[C@@](O)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001716928504 1182582662 /nfs/dbraw/zinc/58/26/62/1182582662.db2.gz CREUDUFUOMLGQL-QGZVFWFLSA-N 2 0 309.454 0.992 20 30 DCEDRP COCC#CC[N@H+](C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001717478790 1182852277 /nfs/dbraw/zinc/85/22/77/1182852277.db2.gz ABCZJRJHWBCWCA-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001717626917 1182930316 /nfs/dbraw/zinc/93/03/16/1182930316.db2.gz PVDRIUYHSUELGB-INIZCTEOSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+][C@H](CC)C(N)=O)CC1 ZINC001717758651 1182981204 /nfs/dbraw/zinc/98/12/04/1182981204.db2.gz ZEUSLGRLOTULLZ-DZGCQCFKSA-N 2 0 322.453 0.032 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001753000940 1184259548 /nfs/dbraw/zinc/25/95/48/1184259548.db2.gz WNNKKYAJWPGMPM-MRXNPFEDSA-N 2 0 307.438 0.655 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001723329976 1184288023 /nfs/dbraw/zinc/28/80/23/1184288023.db2.gz WFUPPXKFZGWCSL-OAHLLOKOSA-N 2 0 322.453 0.115 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001724641567 1184489868 /nfs/dbraw/zinc/48/98/68/1184489868.db2.gz OVNCUFYNTHLOLG-QGZVFWFLSA-N 2 0 307.438 0.295 20 30 DCEDRP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001724672493 1184510152 /nfs/dbraw/zinc/51/01/52/1184510152.db2.gz TXQSCKQCUOBDCU-HOTGVXAUSA-N 2 0 309.454 0.990 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCO1 ZINC001724811803 1184567271 /nfs/dbraw/zinc/56/72/71/1184567271.db2.gz PSUIWLFGSKBLRX-HRCADAONSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001724940384 1184630102 /nfs/dbraw/zinc/63/01/02/1184630102.db2.gz DXLVVQZHQHVCLU-UONOGXRCSA-N 2 0 322.453 0.067 20 30 DCEDRP C=CC[NH+]1CCC(CO)(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001725021825 1184660250 /nfs/dbraw/zinc/66/02/50/1184660250.db2.gz NJLLNCKZLABLKC-GJZGRUSLSA-N 2 0 309.454 0.988 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001725197200 1184718379 /nfs/dbraw/zinc/71/83/79/1184718379.db2.gz SUWATHHMSURCTH-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001731659218 1185433566 /nfs/dbraw/zinc/43/35/66/1185433566.db2.gz HKTPETGFJZGPPM-AWEZNQCLSA-N 2 0 303.410 0.130 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001732042510 1185643083 /nfs/dbraw/zinc/64/30/83/1185643083.db2.gz BCZWGTMBADFMHW-CABCVRRESA-N 2 0 322.453 0.211 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001733014121 1186103918 /nfs/dbraw/zinc/10/39/18/1186103918.db2.gz YNWPMEZNBNJZNE-GJZGRUSLSA-N 2 0 322.453 0.093 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001733176057 1186170680 /nfs/dbraw/zinc/17/06/80/1186170680.db2.gz ZYGXCHNTCNCHTH-LSDHHAIUSA-N 2 0 322.453 0.257 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCOCC1 ZINC001733467290 1186278636 /nfs/dbraw/zinc/27/86/36/1186278636.db2.gz QOIJAZLSHVYWMK-MRXNPFEDSA-N 2 0 319.449 0.607 20 30 DCEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCC(NCC#N)CC1 ZINC001733578493 1186340155 /nfs/dbraw/zinc/34/01/55/1186340155.db2.gz FCCPHLAIALLZDZ-MRXNPFEDSA-N 2 0 321.469 0.553 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCC1 ZINC001733719348 1186414324 /nfs/dbraw/zinc/41/43/24/1186414324.db2.gz ZQJYPMGHSTTZGL-AWEZNQCLSA-N 2 0 322.453 0.401 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCCOC)CCC2)CC1 ZINC001733728496 1186416678 /nfs/dbraw/zinc/41/66/78/1186416678.db2.gz YPZGELUGCLHOBO-UHFFFAOYSA-N 2 0 321.465 0.997 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC001733736716 1186421600 /nfs/dbraw/zinc/42/16/00/1186421600.db2.gz DBYLFBLJNRDGSG-OAHLLOKOSA-N 2 0 307.438 0.865 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001733849510 1186474324 /nfs/dbraw/zinc/47/43/24/1186474324.db2.gz WQSQZIMNYIMPIU-JKSUJKDBSA-N 2 0 319.449 0.701 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001733860369 1186478410 /nfs/dbraw/zinc/47/84/10/1186478410.db2.gz VTJOLKJZTCSOGH-UONOGXRCSA-N 2 0 310.442 0.067 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001734417144 1186647698 /nfs/dbraw/zinc/64/76/98/1186647698.db2.gz POGWEXDMLCYDSE-KGLIPLIRSA-N 2 0 322.453 0.352 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001734504211 1186667946 /nfs/dbraw/zinc/66/79/46/1186667946.db2.gz MTOOSCJDPWYMPH-OAHLLOKOSA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001734596231 1186699452 /nfs/dbraw/zinc/69/94/52/1186699452.db2.gz JHTOMFUFERQRQN-YMAMQOFZSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001752366319 1188418702 /nfs/dbraw/zinc/41/87/02/1188418702.db2.gz WNRXZUOYTRBBBF-KRWDZBQOSA-N 2 0 320.481 0.618 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2)C1=O ZINC001752665612 1188431992 /nfs/dbraw/zinc/43/19/92/1188431992.db2.gz SSKOFGMPWNVABA-TUVASFSCSA-N 2 0 322.453 0.350 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001753224696 1188540676 /nfs/dbraw/zinc/54/06/76/1188540676.db2.gz ITCNYMAHKXOZPB-AWEZNQCLSA-N 2 0 322.453 0.163 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001754535428 1188876086 /nfs/dbraw/zinc/87/60/86/1188876086.db2.gz HYUSSTOEDCRDJH-HUUCEWRRSA-N 2 0 307.438 0.747 20 30 DCEDRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CC#CCOC)C2 ZINC001754784034 1188935879 /nfs/dbraw/zinc/93/58/79/1188935879.db2.gz WYFIPOADCRUCFO-ULQDDVLXSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@@H](C[NH2+]CCOC)C2)CC1 ZINC001754827981 1188942571 /nfs/dbraw/zinc/94/25/71/1188942571.db2.gz BMMVKTSKNAYESX-RDJZCZTQSA-N 2 0 321.465 0.662 20 30 DCEDRP C=C(C)C[N@H+]1CCC[C@](CO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001754857552 1188952171 /nfs/dbraw/zinc/95/21/71/1188952171.db2.gz JWDLYHNPNBQKEP-KRWDZBQOSA-N 2 0 309.454 0.847 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001755033830 1189002489 /nfs/dbraw/zinc/00/24/89/1189002489.db2.gz FYGQBYGZEAHJJJ-CABCVRRESA-N 2 0 322.453 0.211 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001755090948 1189019474 /nfs/dbraw/zinc/01/94/74/1189019474.db2.gz GKNWWPUBBKQORA-WMZOPIPTSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CCC[NH2+][C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001755109978 1189026159 /nfs/dbraw/zinc/02/61/59/1189026159.db2.gz FYURRLSHYCMVFE-CVEARBPZSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1C ZINC001755160074 1189041211 /nfs/dbraw/zinc/04/12/11/1189041211.db2.gz FGAOVFPPRYYYBF-HOTGVXAUSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C[NH2+]C[C@H](C)O)C2CC2)CC1 ZINC001755573144 1189150382 /nfs/dbraw/zinc/15/03/82/1189150382.db2.gz NIUILNHEEGHRBY-YOEHRIQHSA-N 2 0 321.465 0.539 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001755663537 1189178265 /nfs/dbraw/zinc/17/82/65/1189178265.db2.gz LUYOHORMBBELJY-LSDHHAIUSA-N 2 0 305.422 0.311 20 30 DCEDRP CC#CC[NH+](CCO)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001098524623 746959355 /nfs/dbraw/zinc/95/93/55/746959355.db2.gz NCNOJDMPAKQNCA-UHFFFAOYSA-N 2 0 309.454 0.637 20 30 DCEDRP C=CC[NH+](CCO)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001098533010 747023032 /nfs/dbraw/zinc/02/30/32/747023032.db2.gz OOTAQJMLYUCSBK-HNNXBMFYSA-N 2 0 309.454 0.800 20 30 DCEDRP C#CC[NH2+]CC1(CCNC(=O)COC[C@@H](C)[NH+]2CCCC2)CC1 ZINC001167274057 747049128 /nfs/dbraw/zinc/04/91/28/747049128.db2.gz JEUXKIXYYIKGRY-MRXNPFEDSA-N 2 0 321.465 0.997 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001100446979 747055755 /nfs/dbraw/zinc/05/57/55/747055755.db2.gz JNZALESVDOJGPL-YMAMQOFZSA-N 2 0 322.453 0.257 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100872572 748323658 /nfs/dbraw/zinc/32/36/58/748323658.db2.gz AGHCWNKTDIMYOX-NFOMZHRRSA-N 2 0 322.453 0.115 20 30 DCEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)C[NH+](CC)CC)C2)nn1 ZINC001105347857 748387935 /nfs/dbraw/zinc/38/79/35/748387935.db2.gz OAICOSRIQOYNFV-UHFFFAOYSA-N 2 0 318.425 0.116 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+]CCCO)CC2)CC1 ZINC001168320719 749915993 /nfs/dbraw/zinc/91/59/93/749915993.db2.gz MEDPJUNPBBKFRV-UHFFFAOYSA-N 2 0 321.465 0.590 20 30 DCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001077131800 750216706 /nfs/dbraw/zinc/21/67/06/750216706.db2.gz KZSGWHDLIGMWMF-ARFHVFGLSA-N 2 0 309.454 0.987 20 30 DCEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105942025 750592122 /nfs/dbraw/zinc/59/21/22/750592122.db2.gz VDSUMPVRODJNEV-OAGGEKHMSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCN2CCOCC2)C12CCC2 ZINC001203507782 751183097 /nfs/dbraw/zinc/18/30/97/751183097.db2.gz VGODNWDJLVJHRA-HZPDHXFCSA-N 2 0 319.449 0.749 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106600367 751199545 /nfs/dbraw/zinc/19/95/45/751199545.db2.gz YPRSWQQYGRJCCT-HZPDHXFCSA-N 2 0 309.454 0.662 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001106673520 751223133 /nfs/dbraw/zinc/22/31/33/751223133.db2.gz GKSQKDYAEHKIGI-KFWWJZLASA-N 2 0 324.469 0.313 20 30 DCEDRP C#CC[NH2+][C@@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C12CCC2 ZINC001203557943 752691251 /nfs/dbraw/zinc/69/12/51/752691251.db2.gz SKGJBXOTWZBZDQ-CVEARBPZSA-N 2 0 319.449 0.747 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](CCCO)CC2)CC1 ZINC001045647053 753277638 /nfs/dbraw/zinc/27/76/38/753277638.db2.gz PPMUXRAOOXHEQP-UHFFFAOYSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCO)CC1 ZINC001045896034 753363408 /nfs/dbraw/zinc/36/34/08/753363408.db2.gz SVNRYCKMUWQRLT-SJORKVTESA-N 2 0 319.449 0.389 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)C12CCC2 ZINC001078818917 753393119 /nfs/dbraw/zinc/39/31/19/753393119.db2.gz FOMOKXFJSNBUAQ-DLBZAZTESA-N 2 0 313.445 0.982 20 30 DCEDRP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001046009941 753412475 /nfs/dbraw/zinc/41/24/75/753412475.db2.gz GITTWRZBGMZWHL-SJORKVTESA-N 2 0 318.465 0.322 20 30 DCEDRP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001046011013 753413495 /nfs/dbraw/zinc/41/34/95/753413495.db2.gz YPIOUWUXXPKUGO-CVEARBPZSA-N 2 0 306.454 0.485 20 30 DCEDRP C=CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046081545 753470414 /nfs/dbraw/zinc/47/04/14/753470414.db2.gz HEHNHLBJVYNUIO-SJORKVTESA-N 2 0 320.481 0.733 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CC#CC)C2)CC1 ZINC001046850361 753978614 /nfs/dbraw/zinc/97/86/14/753978614.db2.gz UAHJXMVARZEOSC-SFHVURJKSA-N 2 0 301.434 0.936 20 30 DCEDRP C#CCC[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001046849404 753979406 /nfs/dbraw/zinc/97/94/06/753979406.db2.gz DUOPZVZNJJAFSS-GOSISDBHSA-N 2 0 301.434 0.936 20 30 DCEDRP CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001047504959 754341458 /nfs/dbraw/zinc/34/14/58/754341458.db2.gz XQSJEOKFHDNUHA-GJZGRUSLSA-N 2 0 319.405 0.482 20 30 DCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C[C@H]2C1 ZINC001048818229 754959059 /nfs/dbraw/zinc/95/90/59/754959059.db2.gz GKTQDWMEMHPGHQ-NCOADZHNSA-N 2 0 301.434 0.884 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC001090355493 755666272 /nfs/dbraw/zinc/66/62/72/755666272.db2.gz PVBGNWGFPJZELZ-JKSUJKDBSA-N 2 0 321.465 0.990 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001054656781 756601866 /nfs/dbraw/zinc/60/18/66/756601866.db2.gz PLPHWMCTPHUBLV-UKRRQHHQSA-N 2 0 305.426 0.681 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001054797365 756642958 /nfs/dbraw/zinc/64/29/58/756642958.db2.gz FXDJLJJGHQZDSH-HUUCEWRRSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=C)C)C[C@H]2OC)CC1 ZINC001082383086 757088991 /nfs/dbraw/zinc/08/89/91/757088991.db2.gz IBGDKTJLXDZIJM-IAGOWNOFSA-N 2 0 319.449 0.723 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090392450 757355891 /nfs/dbraw/zinc/35/58/91/757355891.db2.gz SORKAECRWLZTBF-GJZGRUSLSA-N 2 0 307.438 0.742 20 30 DCEDRP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001071042698 761598219 /nfs/dbraw/zinc/59/82/19/761598219.db2.gz FQWFBPIMOVLYFI-ZACQAIPSSA-N 2 0 319.449 0.700 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@H]1C(F)(F)F ZINC001099244654 762844684 /nfs/dbraw/zinc/84/46/84/762844684.db2.gz MNNQKZGHFZUHAC-GHMZBOCLSA-N 2 0 314.311 0.954 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001098471308 763038328 /nfs/dbraw/zinc/03/83/28/763038328.db2.gz ACRVNAWFDQMFQR-QGZVFWFLSA-N 2 0 323.481 0.881 20 30 DCEDRP C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CCC[NH+](C)C)C1 ZINC001130412458 763291653 /nfs/dbraw/zinc/29/16/53/763291653.db2.gz RWFUMEFSLMXSOW-AWEZNQCLSA-N 2 0 317.437 0.790 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001130655968 763421279 /nfs/dbraw/zinc/42/12/79/763421279.db2.gz CICJGWQBXDHVTH-UHFFFAOYSA-N 2 0 315.377 0.264 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1cncn1C ZINC001131101036 763644639 /nfs/dbraw/zinc/64/46/39/763644639.db2.gz JHYDHDZHZBAJFJ-HUUCEWRRSA-N 2 0 317.437 0.279 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351388 764068190 /nfs/dbraw/zinc/06/81/90/764068190.db2.gz FXHJBKHMRSIHRG-WBVHZDCISA-N 2 0 307.438 0.368 20 30 DCEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432756 764094420 /nfs/dbraw/zinc/09/44/20/764094420.db2.gz YWCHTOXKXROUOD-WBVHZDCISA-N 2 0 307.438 0.368 20 30 DCEDRP C#CC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132406183 764441966 /nfs/dbraw/zinc/44/19/66/764441966.db2.gz FKOHOGVUMLTKQX-CABCVRRESA-N 2 0 307.438 0.700 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001132738077 764615441 /nfs/dbraw/zinc/61/54/41/764615441.db2.gz VDWWRBXYBXPNKF-AWEZNQCLSA-N 2 0 310.442 0.116 20 30 DCEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102486986 764664066 /nfs/dbraw/zinc/66/40/66/764664066.db2.gz FKZJMJRGNPOWKV-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001102524401 764680268 /nfs/dbraw/zinc/68/02/68/764680268.db2.gz DBTZVGIWQOTRFY-HUUCEWRRSA-N 2 0 324.469 0.315 20 30 DCEDRP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578128 764708928 /nfs/dbraw/zinc/70/89/28/764708928.db2.gz MMKKSUDJWQUKSO-BZUAXINKSA-N 2 0 309.454 0.825 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578287 764710087 /nfs/dbraw/zinc/71/00/87/764710087.db2.gz USOASUGKPDXQHJ-BZUAXINKSA-N 2 0 307.438 0.272 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580674 764712159 /nfs/dbraw/zinc/71/21/59/764712159.db2.gz GVXSEZRVXZGAJI-BRWVUGGUSA-N 2 0 321.465 0.662 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102783129 764814563 /nfs/dbraw/zinc/81/45/63/764814563.db2.gz WJFVERXUVKESDC-ZACQAIPSSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001133245346 764889575 /nfs/dbraw/zinc/88/95/75/764889575.db2.gz CXPYDANJYJBUQM-CVEARBPZSA-N 2 0 309.454 0.662 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@H](C[NH2+]CCO)C2)CC1 ZINC001133338042 764933038 /nfs/dbraw/zinc/93/30/38/764933038.db2.gz SDQZNLBKYYIJSG-NVXWUHKLSA-N 2 0 321.465 0.398 20 30 DCEDRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001133870881 765200213 /nfs/dbraw/zinc/20/02/13/765200213.db2.gz WNNHUWIYRUUDOX-CZUORRHYSA-N 2 0 300.406 0.962 20 30 DCEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001086825434 766258206 /nfs/dbraw/zinc/25/82/06/766258206.db2.gz KGOBQCBBTVADCL-GOEBONIOSA-N 2 0 317.437 0.566 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090610922 766372124 /nfs/dbraw/zinc/37/21/24/766372124.db2.gz WTKXODCAMGFVHG-HOTGVXAUSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001091205309 767028777 /nfs/dbraw/zinc/02/87/77/767028777.db2.gz WNNBASYUKFSIPE-SLTAFYQDSA-N 2 0 300.406 0.872 20 30 DCEDRP C#CC[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC001121925933 767671094 /nfs/dbraw/zinc/67/10/94/767671094.db2.gz GQTRUNZPEIAVDK-UHFFFAOYSA-N 2 0 315.417 0.482 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150291171 769059653 /nfs/dbraw/zinc/05/96/53/769059653.db2.gz KOJQNAYEHUTKNM-HZPDHXFCSA-N 2 0 309.454 0.803 20 30 DCEDRP C#CC[NH+]1CCC(CCOC)(NC(=O)CCC[NH+](C)C)CC1 ZINC001151276169 769303580 /nfs/dbraw/zinc/30/35/80/769303580.db2.gz ZFJAFGUGFVNLQM-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC[C@H]2CCCCO2)CC1 ZINC001152323701 769527520 /nfs/dbraw/zinc/52/75/20/769527520.db2.gz BPGDWCWEZMLDGF-QGZVFWFLSA-N 2 0 321.465 0.997 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC[C@@H]2CCCO2)CC1 ZINC001152324364 769527823 /nfs/dbraw/zinc/52/78/23/769527823.db2.gz SJWFUMKVBWUHTA-INIZCTEOSA-N 2 0 307.438 0.607 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCOCCCC)CC1 ZINC001152334911 769530655 /nfs/dbraw/zinc/53/06/55/769530655.db2.gz VLNXPJROZFHBNT-UHFFFAOYSA-N 2 0 309.454 0.854 20 30 DCEDRP C=CCOCC[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150242046 769703711 /nfs/dbraw/zinc/70/37/11/769703711.db2.gz TZTAVAQTOZBGBM-HNNXBMFYSA-N 2 0 313.442 0.348 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC001153301238 769776171 /nfs/dbraw/zinc/77/61/71/769776171.db2.gz MRDNBTNDXWEUJK-HNNXBMFYSA-N 2 0 322.453 0.096 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)C[NH+](CC)CC ZINC001175768226 769959050 /nfs/dbraw/zinc/95/90/50/769959050.db2.gz MMGUNRHPBJRYEU-HNNXBMFYSA-N 2 0 324.469 0.342 20 30 DCEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176601660 770143661 /nfs/dbraw/zinc/14/36/61/770143661.db2.gz WVDHXJBCYHPROC-HZPDHXFCSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2cc(C)on2)CC1 ZINC001176926841 770227488 /nfs/dbraw/zinc/22/74/88/770227488.db2.gz XHJIUEXIZVNDJX-UHFFFAOYSA-N 2 0 318.421 0.924 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176938474 770236151 /nfs/dbraw/zinc/23/61/51/770236151.db2.gz RNYHDWYLFGVHOJ-OAHLLOKOSA-N 2 0 322.453 0.096 20 30 DCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001182623228 771515579 /nfs/dbraw/zinc/51/55/79/771515579.db2.gz HPPNXTXSAIOFGQ-HZPDHXFCSA-N 2 0 307.438 0.721 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001183391407 771643334 /nfs/dbraw/zinc/64/33/34/771643334.db2.gz RIJNKXXIYMRVCG-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001183591722 771672104 /nfs/dbraw/zinc/67/21/04/771672104.db2.gz KUTCZGDXUNUMEA-BFHYXJOUSA-N 2 0 310.442 0.208 20 30 DCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)Cn2cnc3c2CCCC3)C1 ZINC001184331477 771776931 /nfs/dbraw/zinc/77/69/31/771776931.db2.gz UFXUFEUPBAXEJR-CQSZACIVSA-N 2 0 300.406 0.976 20 30 DCEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158485968 771781693 /nfs/dbraw/zinc/78/16/93/771781693.db2.gz CMBHLEXWDZHICN-CHWSQXEVSA-N 2 0 301.818 0.698 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001185501537 771922709 /nfs/dbraw/zinc/92/27/09/771922709.db2.gz GLBGVPRQOYNRSA-CVEARBPZSA-N 2 0 309.454 0.662 20 30 DCEDRP CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N[C@H]([NH3+])CCC[NH3+] ZINC001159788085 771958031 /nfs/dbraw/zinc/95/80/31/771958031.db2.gz GTHDGSSLCLHXGS-MNOVXSKESA-N 2 0 320.397 0.861 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001159997154 771986778 /nfs/dbraw/zinc/98/67/78/771986778.db2.gz IIMRRXQEQVIBEO-OAHLLOKOSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001160862275 772127286 /nfs/dbraw/zinc/12/72/86/772127286.db2.gz KRVZFMRQDDGAGD-LSDHHAIUSA-N 2 0 322.453 0.401 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001187307122 772172713 /nfs/dbraw/zinc/17/27/13/772172713.db2.gz VLZJRMMKDDTIED-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[C@]1(C(=O)N2CC[C@H](N3CCC([NH3+])CC3)C2)CCC[NH2+]1 ZINC001161378251 772213348 /nfs/dbraw/zinc/21/33/48/772213348.db2.gz LAKQESWQJRQPMT-DOTOQJQBSA-N 2 0 304.438 0.156 20 30 DCEDRP O=C(Nc1cccc(C(=O)N2CC[NH2+]C2)c1)[C@@H]1C[C@H](S)C[NH2+]1 ZINC001161418652 772221119 /nfs/dbraw/zinc/22/11/19/772221119.db2.gz JVMYKBAWIXCYQU-STQMWFEESA-N 2 0 320.418 0.288 20 30 DCEDRP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C)(COC)CC1 ZINC001162171201 772335862 /nfs/dbraw/zinc/33/58/62/772335862.db2.gz LNRKSDGFILTJMI-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C[N@H+]2CCC[C@@H]2C)C1=O ZINC001166627065 772831204 /nfs/dbraw/zinc/83/12/04/772831204.db2.gz PALYLVTUWZJNQM-LSDHHAIUSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001192170411 772879183 /nfs/dbraw/zinc/87/91/83/772879183.db2.gz LICOIAWOKCXNDZ-GJZGRUSLSA-N 2 0 322.453 0.258 20 30 DCEDRP C=CCOCC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001206928838 773137381 /nfs/dbraw/zinc/13/73/81/773137381.db2.gz KQBPXQMAEUFQCB-INIZCTEOSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209314018 773589821 /nfs/dbraw/zinc/58/98/21/773589821.db2.gz GNAUFACYNUYGQZ-GJZGRUSLSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196636577 773625596 /nfs/dbraw/zinc/62/55/96/773625596.db2.gz CWUKGYPCOXTQLB-HZPDHXFCSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001209716021 773638737 /nfs/dbraw/zinc/63/87/37/773638737.db2.gz OOLYUFAXMMQYLR-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315210 773697893 /nfs/dbraw/zinc/69/78/93/773697893.db2.gz MPYQNKMZSIASBC-HUUCEWRRSA-N 2 0 313.442 0.204 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001152324298 773722186 /nfs/dbraw/zinc/72/21/86/773722186.db2.gz OVYBNBBARVZBBO-HZPDHXFCSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H]2CC[C@H](C)O2)CC1 ZINC001152324573 773727084 /nfs/dbraw/zinc/72/70/84/773727084.db2.gz XDLOHETVSQIQRS-HOCLYGCPSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210673956 773728917 /nfs/dbraw/zinc/72/89/17/773728917.db2.gz KOVLBPCKAJGCMG-GJZGRUSLSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826031 773813664 /nfs/dbraw/zinc/81/36/64/773813664.db2.gz MZRSEIIVUDDRPK-RRFJBIMHSA-N 2 0 313.442 0.081 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023080 774013338 /nfs/dbraw/zinc/01/33/38/774013338.db2.gz AAMCYTWITAEOKQ-HZPDHXFCSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216758196 774133968 /nfs/dbraw/zinc/13/39/68/774133968.db2.gz ZFFYEALHGAFCLN-BZUAXINKSA-N 2 0 307.438 0.415 20 30 DCEDRP N#Cc1c(NC(=O)[C@@H]([NH3+])C2CCOCC2)sc2c1CC[NH2+]C2 ZINC001218552550 774245582 /nfs/dbraw/zinc/24/55/82/774245582.db2.gz IFIWGIWMOQJHIQ-ZDUSSCGKSA-N 2 0 320.418 0.958 20 30 DCEDRP COc1cc(C#N)c(F)cc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219107901 774373374 /nfs/dbraw/zinc/37/33/74/774373374.db2.gz YIVAZCUJKUGPQM-BDJLRTHQSA-N 2 0 318.352 0.844 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)CCCO1 ZINC001200626786 774379715 /nfs/dbraw/zinc/37/97/15/774379715.db2.gz BXCYLUDXEAMTRT-LSDHHAIUSA-N 2 0 313.417 0.507 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200687628 774389645 /nfs/dbraw/zinc/38/96/45/774389645.db2.gz DOTTVWDBVFTBKM-HOTGVXAUSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001200658320 774392082 /nfs/dbraw/zinc/39/20/82/774392082.db2.gz KQKXXXAADIKWFR-HOTGVXAUSA-N 2 0 305.422 0.454 20 30 DCEDRP COCC#CC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001201053026 774445503 /nfs/dbraw/zinc/44/55/03/774445503.db2.gz IZFXXHNKCFYONI-MRXNPFEDSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001201701394 774540998 /nfs/dbraw/zinc/54/09/98/774540998.db2.gz NBWWSXYHOQUZDV-HQVVEAJESA-N 2 0 317.433 0.454 20 30 DCEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC001219736782 774593759 /nfs/dbraw/zinc/59/37/59/774593759.db2.gz HHJALWAVDHZFKA-LSDHHAIUSA-N 2 0 314.389 0.443 20 30 DCEDRP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@@H](O)C1 ZINC001219746582 774596916 /nfs/dbraw/zinc/59/69/16/774596916.db2.gz WOSWMJICYDJQSN-OAGGEKHMSA-N 2 0 309.454 0.988 20 30 DCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)CCCO1 ZINC001202116131 774603394 /nfs/dbraw/zinc/60/33/94/774603394.db2.gz SNYWZEBEGOTFII-GJZGRUSLSA-N 2 0 311.426 0.100 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)CCCO1 ZINC001202163270 774609605 /nfs/dbraw/zinc/60/96/05/774609605.db2.gz FUDLJMAEAODVPK-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202331456 774638013 /nfs/dbraw/zinc/63/80/13/774638013.db2.gz RZVRECJYCPBPRI-ZDUSSCGKSA-N 2 0 310.442 0.209 20 30 DCEDRP COCC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001202502605 774768902 /nfs/dbraw/zinc/76/89/02/774768902.db2.gz FUIFJJJUDGSBKO-GOEBONIOSA-N 2 0 307.438 0.415 20 30 DCEDRP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@@H+](C)CC ZINC001114487985 774897826 /nfs/dbraw/zinc/89/78/26/774897826.db2.gz DPDGYWRAFVWPBG-FICVDOATSA-N 2 0 309.454 0.966 20 30 DCEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220989177 774971806 /nfs/dbraw/zinc/97/18/06/774971806.db2.gz NOMBJSWHNPAGPZ-CVEARBPZSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@@H](O)C1 ZINC001221085464 774992922 /nfs/dbraw/zinc/99/29/22/774992922.db2.gz KWPDYHGIUMSUSN-OAGGEKHMSA-N 2 0 309.454 0.988 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001225427997 775677011 /nfs/dbraw/zinc/67/70/11/775677011.db2.gz WEABRBODLFQOTH-HNNXBMFYSA-N 2 0 322.453 0.069 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001317573733 945066313 /nfs/dbraw/zinc/06/63/13/945066313.db2.gz RWMMVENJLDCLGK-HNNXBMFYSA-N 2 0 324.469 0.553 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001317573734 945066772 /nfs/dbraw/zinc/06/67/72/945066772.db2.gz RWMMVENJLDCLGK-OAHLLOKOSA-N 2 0 324.469 0.553 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC#CCOC ZINC001278024462 945102231 /nfs/dbraw/zinc/10/22/31/945102231.db2.gz FCUNGBDGNOLUBC-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@H](CC)[NH+](C)C)C1=O ZINC001317626702 945124913 /nfs/dbraw/zinc/12/49/13/945124913.db2.gz DHCWNQCHGYRKDX-KBPBESRZSA-N 2 0 310.442 0.162 20 30 DCEDRP C#CC[NH2+][C@@H](CO)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001278154953 945157859 /nfs/dbraw/zinc/15/78/59/945157859.db2.gz JPNQFJAOUHPNKO-MRXNPFEDSA-N 2 0 303.406 0.104 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001317854265 945210797 /nfs/dbraw/zinc/21/07/97/945210797.db2.gz OOKRXZFHNXCYKW-CABCVRRESA-N 2 0 324.469 0.409 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001266415384 939110592 /nfs/dbraw/zinc/11/05/92/939110592.db2.gz UPOUPHBBYWJIDR-CABCVRRESA-N 2 0 322.453 0.257 20 30 DCEDRP C=CCNC(=O)CN1CCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266488413 939132727 /nfs/dbraw/zinc/13/27/27/939132727.db2.gz IYERTZGMEMZDDK-CABCVRRESA-N 2 0 322.453 0.211 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C[C@@H](C)OC)C2CC2)CC1 ZINC001266621616 939181911 /nfs/dbraw/zinc/18/19/11/939181911.db2.gz IMMINFKWSVNSEP-OAHLLOKOSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CC[N@@H+](C)CC)C2)C1=O ZINC001266630385 939184008 /nfs/dbraw/zinc/18/40/08/939184008.db2.gz NAHXTBIIVDMVHX-KKUMJFAQSA-N 2 0 322.453 0.352 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001266882249 939264968 /nfs/dbraw/zinc/26/49/68/939264968.db2.gz FTLAXWYPICWTBR-LSDHHAIUSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001266882246 939265020 /nfs/dbraw/zinc/26/50/20/939265020.db2.gz FTLAXWYPICWTBR-CABCVRRESA-N 2 0 322.453 0.354 20 30 DCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC001352849782 939535030 /nfs/dbraw/zinc/53/50/30/939535030.db2.gz MHGLVGXKEBYKSX-MXWKQRLJSA-N 2 0 306.332 0.993 20 30 DCEDRP C#CCC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001267606058 939561485 /nfs/dbraw/zinc/56/14/85/939561485.db2.gz MHKNMYNXYMUABV-MRXNPFEDSA-N 2 0 306.454 0.180 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001481127001 939575037 /nfs/dbraw/zinc/57/50/37/939575037.db2.gz OKZLLOFACMSWDQ-CABCVRRESA-N 2 0 324.469 0.455 20 30 DCEDRP C=C(Cl)C[NH2+]CCN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001481231408 939654949 /nfs/dbraw/zinc/65/49/49/939654949.db2.gz YYNPCYLXPBKKTK-UHFFFAOYSA-N 2 0 313.833 0.859 20 30 DCEDRP C=CC[NH+]1CCN(CCN(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001481469907 939883826 /nfs/dbraw/zinc/88/38/26/939883826.db2.gz WUUDQONNGMAUTR-UHFFFAOYSA-N 2 0 320.481 0.877 20 30 DCEDRP C[NH+](C)CCCC(=O)NC[C@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001268324475 940059125 /nfs/dbraw/zinc/05/91/25/940059125.db2.gz VCTLRCYUBSEYBD-QGZVFWFLSA-N 2 0 317.433 0.447 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001268329415 940062487 /nfs/dbraw/zinc/06/24/87/940062487.db2.gz UAJYOXOWGCZUNW-CVEARBPZSA-N 2 0 303.406 0.379 20 30 DCEDRP C=CCOCC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001268829111 940375976 /nfs/dbraw/zinc/37/59/76/940375976.db2.gz XCPMEFPAXLTCMJ-JKSUJKDBSA-N 2 0 309.454 0.967 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001482220206 940710973 /nfs/dbraw/zinc/71/09/73/940710973.db2.gz VFUYNCPYKZUJPJ-HZPDHXFCSA-N 2 0 321.465 0.995 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001270520482 940915594 /nfs/dbraw/zinc/91/55/94/940915594.db2.gz MTKIIHZYGMVUJD-INIZCTEOSA-N 2 0 306.454 0.180 20 30 DCEDRP C[NH+]1CCC(C(=O)NCC[NH+]2CCC(NCC#N)CC2)CC1 ZINC001271925971 941481506 /nfs/dbraw/zinc/48/15/06/941481506.db2.gz VSUNXXNBKDSJAS-UHFFFAOYSA-N 2 0 307.442 0.022 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001482764950 941661035 /nfs/dbraw/zinc/66/10/35/941661035.db2.gz ZMSQRHHJMUEUMS-INIZCTEOSA-N 2 0 321.396 0.196 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+][C@@H](C)COC)C2CC2)CC1 ZINC001483609280 942462304 /nfs/dbraw/zinc/46/23/04/942462304.db2.gz ZEXRRQXJRAOAHC-WMLDXEAASA-N 2 0 321.465 0.851 20 30 DCEDRP COCC#CC[N@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001484765770 943571949 /nfs/dbraw/zinc/57/19/49/943571949.db2.gz RFFOQZNWDFXJTR-MRXNPFEDSA-N 2 0 309.454 0.758 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001485021113 943660064 /nfs/dbraw/zinc/66/00/64/943660064.db2.gz ZYGMQMLTUUNJHO-HZPDHXFCSA-N 2 0 319.449 0.580 20 30 DCEDRP CC#CC[NH+]1CCC(CO)(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001485024666 943660087 /nfs/dbraw/zinc/66/00/87/943660087.db2.gz SSNGTPCSKZXBMZ-UHFFFAOYSA-N 2 0 307.438 0.295 20 30 DCEDRP C=CC[N@H+]1C[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001485580299 944013301 /nfs/dbraw/zinc/01/33/01/944013301.db2.gz FTJGDLNZPJYTQW-CABCVRRESA-N 2 0 309.454 0.967 20 30 DCEDRP CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC#CCOC)C[C@H]21)[NH+](C)C ZINC001485624172 944046191 /nfs/dbraw/zinc/04/61/91/944046191.db2.gz QPKOXMWOYMZMOG-JONQDZQNSA-N 2 0 307.438 0.270 20 30 DCEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001485833585 944261422 /nfs/dbraw/zinc/26/14/22/944261422.db2.gz JPKXVZASUISYFP-ZBFHGGJFSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001276921989 944595338 /nfs/dbraw/zinc/59/53/38/944595338.db2.gz RQUMORUELKJRPY-JKSUJKDBSA-N 2 0 319.449 0.701 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001277060318 944645924 /nfs/dbraw/zinc/64/59/24/944645924.db2.gz MGODYQNUKGURHS-UONOGXRCSA-N 2 0 322.453 0.257 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001317079960 944783833 /nfs/dbraw/zinc/78/38/33/944783833.db2.gz ALEVTXNCLHIXCT-KBUPBQIOSA-N 2 0 322.453 0.398 20 30 DCEDRP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001317178592 944837893 /nfs/dbraw/zinc/83/78/93/944837893.db2.gz CEAVEXZJYGBOGQ-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001317521371 945017876 /nfs/dbraw/zinc/01/78/76/945017876.db2.gz CJWJPJHOOCYBTO-RDJZCZTQSA-N 2 0 319.449 0.416 20 30 DCEDRP N#CC1(c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)CC[NH2+]CC1 ZINC001249269117 945626992 /nfs/dbraw/zinc/62/69/92/945626992.db2.gz BBXICRCXGSBSDH-UHFFFAOYSA-N 2 0 310.361 0.922 20 30 DCEDRP CC#CC[NH2+][C@@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC001319958274 945703768 /nfs/dbraw/zinc/70/37/68/945703768.db2.gz PHSGEQYNZBKDJW-CVEARBPZSA-N 2 0 309.454 0.708 20 30 DCEDRP C#CCOC[C@@H](O)C[NH+]1CCN(CC[NH+](CC=C)CC=C)CC1 ZINC001251858468 945800781 /nfs/dbraw/zinc/80/07/81/945800781.db2.gz YYPRSRQJDJUORS-SFHVURJKSA-N 2 0 321.465 0.289 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]C[C@H](C)OC)CC1 ZINC001273205014 945827717 /nfs/dbraw/zinc/82/77/17/945827717.db2.gz RDEDPXPZKQCAIQ-CABCVRRESA-N 2 0 309.454 0.851 20 30 DCEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@H](O)COCC)CC1 ZINC001252034239 945847473 /nfs/dbraw/zinc/84/74/73/945847473.db2.gz NORPQONJVYKBND-KRWDZBQOSA-N 2 0 311.470 0.675 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCOCC1 ZINC001278723008 946124628 /nfs/dbraw/zinc/12/46/28/946124628.db2.gz RGOULJPTTSBZKQ-HNNXBMFYSA-N 2 0 307.438 0.607 20 30 DCEDRP C=C[C@@H](O)C[N@@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001253582422 946135648 /nfs/dbraw/zinc/13/56/48/946135648.db2.gz ONTKSIIUSBDWOL-CQSZACIVSA-N 2 0 308.426 0.714 20 30 DCEDRP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001278805650 946426994 /nfs/dbraw/zinc/42/69/94/946426994.db2.gz OUAZXOUXBNNDGF-NVXWUHKLSA-N 2 0 309.454 0.683 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NCCC(C)(C)NC(=O)C(=C)C[NH+](C)C ZINC001261270373 947231512 /nfs/dbraw/zinc/23/15/12/947231512.db2.gz XPFSQGPOKRGFDD-UHFFFAOYSA-N 2 0 324.469 0.623 20 30 DCEDRP C#CC[N@H+]1CC[C@](O)(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001325101293 947653058 /nfs/dbraw/zinc/65/30/58/947653058.db2.gz FWZBKHGOFWBHLP-INIZCTEOSA-N 2 0 321.446 0.610 20 30 DCEDRP C=C(C)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001325160014 947687423 /nfs/dbraw/zinc/68/74/23/947687423.db2.gz IVUSYOYPFGMESV-WBVHZDCISA-N 2 0 309.454 0.990 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC#CCOC)C1 ZINC001325456314 947800685 /nfs/dbraw/zinc/80/06/85/947800685.db2.gz NWEKFKIAESVZNE-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)[C@H]1C ZINC001179561149 947861999 /nfs/dbraw/zinc/86/19/99/947861999.db2.gz DBVVEXDCTZIHAW-JYJNAYRXSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001179554189 947870882 /nfs/dbraw/zinc/87/08/82/947870882.db2.gz UFFHTHSKHGFZLZ-AJNGGQMLSA-N 2 0 322.453 0.044 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H](CC)[NH+](C)C ZINC001179609476 947873892 /nfs/dbraw/zinc/87/38/92/947873892.db2.gz QYFWDFAAOHVRLC-HNNXBMFYSA-N 2 0 324.469 0.342 20 30 DCEDRP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001327577227 948558352 /nfs/dbraw/zinc/55/83/52/948558352.db2.gz LLPFYQLDSFOSEF-RDJZCZTQSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001263820618 948763892 /nfs/dbraw/zinc/76/38/92/948763892.db2.gz CQVAVQARWJFJLG-JKSUJKDBSA-N 2 0 307.438 0.511 20 30 DCEDRP CC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001264076525 948862686 /nfs/dbraw/zinc/86/26/86/948862686.db2.gz GLBJRHUKJFXSMI-IRXDYDNUSA-N 2 0 323.481 0.881 20 30 DCEDRP C#CC[NH2+]CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390912046 949114907 /nfs/dbraw/zinc/11/49/07/949114907.db2.gz XRXRCWCQWPFVES-QGZVFWFLSA-N 2 0 315.417 0.617 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001265590536 949795091 /nfs/dbraw/zinc/79/50/91/949795091.db2.gz BVGXSAYCZROOMP-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001265594664 949802241 /nfs/dbraw/zinc/80/22/41/949802241.db2.gz HMWUUMMOUHIKNY-IRXDYDNUSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001265663887 949861047 /nfs/dbraw/zinc/86/10/47/949861047.db2.gz MVEQVGJZSYCOMP-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001330608627 950544510 /nfs/dbraw/zinc/54/45/10/950544510.db2.gz SEOJKUQJKMEDOX-HUUCEWRRSA-N 2 0 308.426 0.625 20 30 DCEDRP C=CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)Cn2cncc2C)C1 ZINC001490551359 950853419 /nfs/dbraw/zinc/85/34/19/950853419.db2.gz SGKQBRVPGOJNHB-ZIAGYGMSSA-N 2 0 319.409 0.073 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001331642709 951214870 /nfs/dbraw/zinc/21/48/70/951214870.db2.gz BXJIAQVNGMINHN-LSDHHAIUSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CC[NH2+][C@@H](CO)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001331757879 951296340 /nfs/dbraw/zinc/29/63/40/951296340.db2.gz NLNXVMDWYSESMQ-OAHLLOKOSA-N 2 0 303.406 0.104 20 30 DCEDRP COCC#CC[NH2+]C1(C)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001274369010 951589165 /nfs/dbraw/zinc/58/91/65/951589165.db2.gz XVAGUEZHQOOXBI-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001332341506 951596709 /nfs/dbraw/zinc/59/67/09/951596709.db2.gz PYEQCXFMYODUJU-HZPDHXFCSA-N 2 0 309.454 0.851 20 30 DCEDRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC#CCOC)[C@H](C)C1 ZINC001281687373 951599625 /nfs/dbraw/zinc/59/96/25/951599625.db2.gz XOWFEDFQCFVJTN-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001332607319 951719633 /nfs/dbraw/zinc/71/96/33/951719633.db2.gz SDOXCTVXNDZRCQ-IRXDYDNUSA-N 2 0 323.481 0.929 20 30 DCEDRP C[NH+](C)CCN1CC[C@]2(CC[N@H+](Cc3[nH]ccc3C#N)C2)C1=O ZINC001274855669 951860511 /nfs/dbraw/zinc/86/05/11/951860511.db2.gz PTPNWVYFSXWHJT-KRWDZBQOSA-N 2 0 315.421 0.872 20 30 DCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCCCCC[NH+]1CCN(CC#N)CC1 ZINC001274879093 951870760 /nfs/dbraw/zinc/87/07/60/951870760.db2.gz RQYLQGIDIAQQQH-MRXNPFEDSA-N 2 0 321.469 0.508 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CCC[C@@H](C)O)CC1 ZINC001275459512 952162233 /nfs/dbraw/zinc/16/22/33/952162233.db2.gz QZFIAISXINCVBU-LSDHHAIUSA-N 2 0 309.454 0.587 20 30 DCEDRP [NH3+][C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[C@H]1C(F)(F)F ZINC001344733315 953522207 /nfs/dbraw/zinc/52/22/07/953522207.db2.gz UEBWIIHYSFDYMS-NEPJUHHUSA-N 2 0 303.328 0.728 20 30 DCEDRP C#CCNC(=O)C[NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001282270298 953534224 /nfs/dbraw/zinc/53/42/24/953534224.db2.gz OULUAOJDGVACKJ-UHFFFAOYSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCNC(=O)C[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001282675367 953646624 /nfs/dbraw/zinc/64/66/24/953646624.db2.gz KYPPFQUMGMDFLR-OAHLLOKOSA-N 2 0 322.453 0.048 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC001346670765 953940559 /nfs/dbraw/zinc/94/05/59/953940559.db2.gz CUVVPCYIEVYXOY-NUEKZKHPSA-N 2 0 304.438 0.723 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H]([NH2+]CCO)C(C)C)CC1 ZINC001283471554 954373218 /nfs/dbraw/zinc/37/32/18/954373218.db2.gz GFYUOLJFCPOEAH-MRXNPFEDSA-N 2 0 309.454 0.444 20 30 DCEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001284459998 955111331 /nfs/dbraw/zinc/11/13/31/955111331.db2.gz OJMWDEQBJLZSRX-MRXNPFEDSA-N 2 0 305.422 0.957 20 30 DCEDRP C#CCN1CCN(c2nnc(C)n2CCn2ccnc2C)CC1 ZINC001359030310 957724209 /nfs/dbraw/zinc/72/42/09/957724209.db2.gz SMBNDANFJSCAMF-UHFFFAOYSA-N 2 0 313.409 0.547 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001491682029 959042816 /nfs/dbraw/zinc/04/28/16/959042816.db2.gz ICLUPRLGIGSBGW-CVEARBPZSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[N@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001316853550 960125889 /nfs/dbraw/zinc/12/58/89/960125889.db2.gz HIDIMRAHTPCFSN-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001379791678 962041081 /nfs/dbraw/zinc/04/10/81/962041081.db2.gz NNZKVLGHEUHFET-KGLIPLIRSA-N 2 0 315.845 0.490 20 30 DCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1C ZINC001502745417 1016050009 /nfs/dbraw/zinc/05/00/09/1016050009.db2.gz UWYFDEURYJBDSV-GOEBONIOSA-N 2 0 317.437 0.518 20 30 DCEDRP C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001507231213 1016154834 /nfs/dbraw/zinc/15/48/34/1016154834.db2.gz YDXPGUUGHLXTCG-RDJZCZTQSA-N 2 0 321.465 0.874 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001507325527 1016252703 /nfs/dbraw/zinc/25/27/03/1016252703.db2.gz ARQQFMCEAFTODZ-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCOC)C2)CC1 ZINC001507427824 1016322862 /nfs/dbraw/zinc/32/28/62/1016322862.db2.gz LQUOYORDLLNRHO-NVXWUHKLSA-N 2 0 321.465 0.853 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001420209096 1002043024 /nfs/dbraw/zinc/04/30/24/1002043024.db2.gz GZHBJTDBLLMEDG-UONOGXRCSA-N 2 0 317.861 0.926 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)C[C@H]2CCOC2)CC1 ZINC001506065427 1016971237 /nfs/dbraw/zinc/97/12/37/1016971237.db2.gz OVFGEXQIFDCDBJ-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP C=C(Cl)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001424530850 1012620134 /nfs/dbraw/zinc/62/01/34/1012620134.db2.gz PQAKZVLSRQMZFY-ZDUSSCGKSA-N 2 0 315.845 0.634 20 30 DCEDRP C=CCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001548703919 1012999121 /nfs/dbraw/zinc/99/91/21/1012999121.db2.gz WIWUVLAQPVPNJN-GDBMZVCRSA-N 2 0 306.454 0.531 20 30 DCEDRP CC[C@H](C(=O)N1CC2(C1)CCC[N@H+](CC#CCOC)C2)[NH+](C)C ZINC001506862798 1017626126 /nfs/dbraw/zinc/62/61/26/1017626126.db2.gz FAMQPHRBASODJL-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001499371234 1017891214 /nfs/dbraw/zinc/89/12/14/1017891214.db2.gz INGABYTWIJPDHJ-UHFFFAOYSA-N 2 0 307.438 0.607 20 30 DCEDRP C#CC[N@@H+](CCOC)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001499538952 1017964629 /nfs/dbraw/zinc/96/46/29/1017964629.db2.gz UODQFDISVHBSQX-HNNXBMFYSA-N 2 0 307.438 0.511 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001499620509 1018000661 /nfs/dbraw/zinc/00/06/61/1018000661.db2.gz XDTLJRUKNNLZCC-SJLPKXTDSA-N 2 0 319.449 0.512 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC#CCOC)C2)CC1 ZINC001480173441 1018281937 /nfs/dbraw/zinc/28/19/37/1018281937.db2.gz JFZPBHFGBWYKNF-QAQDUYKDSA-N 2 0 317.433 0.218 20 30 DCEDRP C#CC[NH2+]C[C@]1(C)CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001500347330 1018424192 /nfs/dbraw/zinc/42/41/92/1018424192.db2.gz DESRSQRWZKKGRJ-KRWDZBQOSA-N 2 0 317.437 0.520 20 30 DCEDRP COCC#CC[NH2+]C[C@](C)(NC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001495260506 1018428165 /nfs/dbraw/zinc/42/81/65/1018428165.db2.gz WLFXSKPATDFTAG-SFHVURJKSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001495398833 1018488597 /nfs/dbraw/zinc/48/85/97/1018488597.db2.gz ZTIUZKGQELKBER-DLBZAZTESA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001500743200 1018623974 /nfs/dbraw/zinc/62/39/74/1018623974.db2.gz IQBJVMDPAVHEJM-QGZVFWFLSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCOC2CCC2)CC1 ZINC001480595815 1018693877 /nfs/dbraw/zinc/69/38/77/1018693877.db2.gz DIRYKULXJGGZNE-HNNXBMFYSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001480708864 1018795821 /nfs/dbraw/zinc/79/58/21/1018795821.db2.gz HYKYVTDPCRFUEF-CABCVRRESA-N 2 0 324.469 0.646 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCCO)CCC2)CC1 ZINC001502029484 1019635295 /nfs/dbraw/zinc/63/52/95/1019635295.db2.gz ZFIPXXPIRWTHFI-UHFFFAOYSA-N 2 0 307.438 0.343 20 30 DCEDRP COC[C@@H](C)NC(=[NH2+])NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000264098713 238189485 /nfs/dbraw/zinc/18/94/85/238189485.db2.gz NJIJQUGNNXNECD-CJNGLKHVSA-N 2 0 320.437 0.345 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000491724179 533104190 /nfs/dbraw/zinc/10/41/90/533104190.db2.gz DWDNKHQKABUKPP-UHFFFAOYSA-N 2 0 323.485 0.267 20 30 DCEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000285000391 285340021 /nfs/dbraw/zinc/34/00/21/285340021.db2.gz HYLWZOVHSALSQC-KCQAQPDRSA-N 2 0 322.457 0.742 20 30 DCEDRP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000346511268 397023584 /nfs/dbraw/zinc/02/35/84/397023584.db2.gz VVQPSRWWOSIRAH-HNNXBMFYSA-N 2 0 321.469 0.507 20 30 DCEDRP CC(C)(C#N)C[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000598721351 397284557 /nfs/dbraw/zinc/28/45/57/397284557.db2.gz VMTONIIXBWFBQL-KBPBESRZSA-N 2 0 310.442 0.464 20 30 DCEDRP C#C[C@H](C)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000275148661 415372320 /nfs/dbraw/zinc/37/23/20/415372320.db2.gz YGPMOOCVSWEHFK-HNNXBMFYSA-N 2 0 315.421 0.915 20 30 DCEDRP C[NH+](C)CCOc1ccc(CNC(=[NH2+])N2CCOCC2)cc1 ZINC000104162968 415623324 /nfs/dbraw/zinc/62/33/24/415623324.db2.gz LIYYTJCGDIKZBJ-UHFFFAOYSA-N 2 0 306.410 0.774 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+](C)CCOC)CC1 ZINC000106271638 415641842 /nfs/dbraw/zinc/64/18/42/415641842.db2.gz IESILOVOJHCRMU-UHFFFAOYSA-N 2 0 312.458 0.904 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC1 ZINC000343739255 415706242 /nfs/dbraw/zinc/70/62/42/415706242.db2.gz MNQDAHFOKDFNMQ-AWEZNQCLSA-N 2 0 322.453 0.306 20 30 DCEDRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000329336763 416164287 /nfs/dbraw/zinc/16/42/87/416164287.db2.gz MASSJNIUVZISTO-AWEZNQCLSA-N 2 0 311.474 0.468 20 30 DCEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)C(C)C ZINC000417062936 416381994 /nfs/dbraw/zinc/38/19/94/416381994.db2.gz MYJWUBRLUXXDMY-HOTGVXAUSA-N 2 0 324.469 0.973 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000419723953 416406657 /nfs/dbraw/zinc/40/66/57/416406657.db2.gz GKUASCLXWBICNB-HIFRSBDPSA-N 2 0 322.453 0.339 20 30 DCEDRP C#CCN(C)CC(=O)NCc1ccccc1CN1CCOCC1 ZINC000491640517 416607798 /nfs/dbraw/zinc/60/77/98/416607798.db2.gz YTCICHYWYKMPHI-UHFFFAOYSA-N 2 0 315.417 0.700 20 30 DCEDRP C#CCNC(=O)CC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000491155002 416586827 /nfs/dbraw/zinc/58/68/27/416586827.db2.gz OBSZVPUODSUQHJ-HZPDHXFCSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+](C)CCCNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000491741459 416621878 /nfs/dbraw/zinc/62/18/78/416621878.db2.gz IMNINTKMVJVBJA-CABCVRRESA-N 2 0 310.442 0.038 20 30 DCEDRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cn2)CC1 ZINC000424199677 416625085 /nfs/dbraw/zinc/62/50/85/416625085.db2.gz ZEVMPZULNPJWKO-CQSZACIVSA-N 2 0 316.409 0.793 20 30 DCEDRP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000491794870 416628783 /nfs/dbraw/zinc/62/87/83/416628783.db2.gz SWEYHYBBUZPDGT-OAHLLOKOSA-N 2 0 324.469 0.428 20 30 DCEDRP C=CCn1cc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)nn1 ZINC000564889167 416898810 /nfs/dbraw/zinc/89/88/10/416898810.db2.gz YEISXELAMWENKM-UHFFFAOYSA-N 2 0 323.445 0.099 20 30 DCEDRP C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCC(CCC#N)CC2)C1=O ZINC000570632443 417373522 /nfs/dbraw/zinc/37/35/22/417373522.db2.gz OQZILSUIYHDRKV-CQSZACIVSA-N 2 0 306.410 0.691 20 30 DCEDRP C=CCN1CC[C@H]([N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1=O ZINC000652349562 417886938 /nfs/dbraw/zinc/88/69/38/417886938.db2.gz SNMPVNRBVGYLMF-YHUYYLMFSA-N 2 0 307.438 0.992 20 30 DCEDRP C[NH2+]CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000418320091 262274757 /nfs/dbraw/zinc/27/47/57/262274757.db2.gz SIMBKRWJZXWMRI-UHFFFAOYSA-N 2 0 303.410 0.851 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000490687190 332852679 /nfs/dbraw/zinc/85/26/79/332852679.db2.gz ACBUFJWSDIXVPI-MRXNPFEDSA-N 2 0 319.449 0.512 20 30 DCEDRP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000330176031 336120780 /nfs/dbraw/zinc/12/07/80/336120780.db2.gz JPNUAJXVWNGBJV-CZUORRHYSA-N 2 0 324.469 0.914 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](CO)CC[NH+](CC)CC)CC1 ZINC000491126414 339850193 /nfs/dbraw/zinc/85/01/93/339850193.db2.gz OCMXOKAWVRFTLB-INIZCTEOSA-N 2 0 309.454 0.541 20 30 DCEDRP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N(C)Cc1ccon1 ZINC000261831923 526350118 /nfs/dbraw/zinc/35/01/18/526350118.db2.gz VOZJMWAACWRZJJ-UHFFFAOYSA-N 2 0 309.414 0.793 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000177505183 526426906 /nfs/dbraw/zinc/42/69/06/526426906.db2.gz JZFWJESTUSUJDS-UHFFFAOYSA-N 2 0 324.469 0.735 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000186017101 526427952 /nfs/dbraw/zinc/42/79/52/526427952.db2.gz ZNUOVCHHGLDBDY-LSDHHAIUSA-N 2 0 324.469 0.733 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)NCCC[N@@H+](C)CCOC)CC1 ZINC000171714808 526432764 /nfs/dbraw/zinc/43/27/64/526432764.db2.gz KRTKFQABWJYXGE-UHFFFAOYSA-N 2 0 312.458 0.904 20 30 DCEDRP CC[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N(C)Cc1cccn1C ZINC000262017921 528814611 /nfs/dbraw/zinc/81/46/11/528814611.db2.gz YEYPDFFIZRNLSA-INIZCTEOSA-N 2 0 320.485 0.668 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)c1ccco1 ZINC000264150874 529070908 /nfs/dbraw/zinc/07/09/08/529070908.db2.gz ZBQWDGLLRHCXFG-GFCCVEGCSA-N 2 0 307.398 0.398 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(NC(C)=O)nc1 ZINC000278727054 529072888 /nfs/dbraw/zinc/07/28/88/529072888.db2.gz LCHUKZAOZHWRCI-CQSZACIVSA-N 2 0 318.425 0.929 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264144850 529093042 /nfs/dbraw/zinc/09/30/42/529093042.db2.gz XRQYNMUQTBGKJQ-AWEZNQCLSA-N 2 0 317.441 0.398 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(=O)OC)o1 ZINC000276684886 529101435 /nfs/dbraw/zinc/10/14/35/529101435.db2.gz UHTNMSBOHFPDKS-NSHDSACASA-N 2 0 308.382 0.955 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001676272860 1175433347 /nfs/dbraw/zinc/43/33/47/1175433347.db2.gz DWHGGPXESPAMIR-HOTGVXAUSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCO)CC2(C)C)CC1 ZINC000977650399 660409773 /nfs/dbraw/zinc/40/97/73/660409773.db2.gz CVGHJRAPLVMMLR-OAHLLOKOSA-N 2 0 307.438 0.151 20 30 DCEDRP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978559126 660561886 /nfs/dbraw/zinc/56/18/86/660561886.db2.gz PJIJURNTEPKLBD-UAEIHBMGSA-N 2 0 317.433 0.330 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCF)C[C@H]32)CC1 ZINC000979087720 660659155 /nfs/dbraw/zinc/65/91/55/660659155.db2.gz KTNJXJNAJBQJRR-PHZGNYQRSA-N 2 0 307.413 0.595 20 30 DCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](c2cccnc2)N(C)C)C1 ZINC000980501829 660949868 /nfs/dbraw/zinc/94/98/68/660949868.db2.gz DIMZIZXSZGKLNA-HOTGVXAUSA-N 2 0 300.406 0.850 20 30 DCEDRP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000981208753 661101328 /nfs/dbraw/zinc/10/13/28/661101328.db2.gz BVNNEWUILLPHMO-CVEARBPZSA-N 2 0 307.438 0.960 20 30 DCEDRP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000981381885 661141547 /nfs/dbraw/zinc/14/15/47/661141547.db2.gz JSKAVBOSBWIJTM-CVEARBPZSA-N 2 0 317.437 0.709 20 30 DCEDRP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001028094274 661154351 /nfs/dbraw/zinc/15/43/51/661154351.db2.gz WJWKACRCKRMIDD-HOTGVXAUSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC000971673989 657550228 /nfs/dbraw/zinc/55/02/28/657550228.db2.gz MAULLAZGHIJBDZ-IAGOWNOFSA-N 2 0 319.449 0.796 20 30 DCEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000970557071 657630738 /nfs/dbraw/zinc/63/07/38/657630738.db2.gz JVRVDFFYSWCQEL-CYBMUJFWSA-N 2 0 305.426 0.681 20 30 DCEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000969686815 658079245 /nfs/dbraw/zinc/07/92/45/658079245.db2.gz JBQAMECLLLPXNA-CYBMUJFWSA-N 2 0 305.426 0.681 20 30 DCEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000971555384 658799430 /nfs/dbraw/zinc/79/94/30/658799430.db2.gz DHUYVQINEUGMAX-CQSZACIVSA-N 2 0 305.426 0.777 20 30 DCEDRP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]12 ZINC001026387810 659274829 /nfs/dbraw/zinc/27/48/29/659274829.db2.gz FBDFDVWCFOMEEY-DJIMGWMZSA-N 2 0 319.449 0.557 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)C1CC[NH+](C)CC1)CCO2 ZINC000949179486 661353404 /nfs/dbraw/zinc/35/34/04/661353404.db2.gz MUIBNQRMFVMVGG-UHFFFAOYSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001028592886 661663158 /nfs/dbraw/zinc/66/31/58/661663158.db2.gz UUELVYVSHFJKBS-WBVHZDCISA-N 2 0 319.449 0.701 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](C[C@H](C)OC)C2)CC1 ZINC001029003003 661930044 /nfs/dbraw/zinc/93/00/44/661930044.db2.gz GMFXIHMFXIFZLO-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(C)CCO2)C(C)(C)C1 ZINC000940648015 665821926 /nfs/dbraw/zinc/82/19/26/665821926.db2.gz VMBBOIMNOXSHSO-GJZGRUSLSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000896568551 662293373 /nfs/dbraw/zinc/29/33/73/662293373.db2.gz NYDYFWQRZXDCIX-HOCLYGCPSA-N 2 0 306.454 0.082 20 30 DCEDRP CN(C)C(=O)CNC(=[NH+]C1CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262354880 662344666 /nfs/dbraw/zinc/34/46/66/662344666.db2.gz ZMXRHOLBZXMEDS-HNNXBMFYSA-N 2 0 321.469 0.743 20 30 DCEDRP C[NH+]=C(NCCN1CCSCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262799618 662582907 /nfs/dbraw/zinc/58/29/07/662582907.db2.gz QQZHKLNXFPZLFX-OAHLLOKOSA-N 3 0 323.510 0.557 20 30 DCEDRP C#CC[N@H+]1CC=C(CNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001000693780 665911640 /nfs/dbraw/zinc/91/16/40/665911640.db2.gz SSCXITJSEPIQKF-UHFFFAOYSA-N 2 0 315.421 0.440 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000900665827 663268007 /nfs/dbraw/zinc/26/80/07/663268007.db2.gz BXCGYBNVFJAFFH-KRWDZBQOSA-N 2 0 321.465 0.993 20 30 DCEDRP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001772513513 1157398568 /nfs/dbraw/zinc/39/85/68/1157398568.db2.gz AFJQAXDCRSLOKO-OAHLLOKOSA-N 2 0 311.470 0.739 20 30 DCEDRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000925414528 664801732 /nfs/dbraw/zinc/80/17/32/664801732.db2.gz OTYWBRATURUQHK-ONWGRHNESA-N 2 0 304.394 0.443 20 30 DCEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001031689586 665291002 /nfs/dbraw/zinc/29/10/02/665291002.db2.gz WPRMMJVPGMATDW-HZPDHXFCSA-N 2 0 307.438 0.864 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC000948069316 665291887 /nfs/dbraw/zinc/29/18/87/665291887.db2.gz FTVCLKOVECHDJY-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000921434263 665304122 /nfs/dbraw/zinc/30/41/22/665304122.db2.gz FKQPKMATPALBKU-XJKSGUPXSA-N 2 0 304.438 0.866 20 30 DCEDRP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001032529907 665312403 /nfs/dbraw/zinc/31/24/03/665312403.db2.gz ZYDSVHSBEOKYQW-XJADACSNSA-N 2 0 315.417 0.158 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000941437035 665998301 /nfs/dbraw/zinc/99/83/01/665998301.db2.gz PDMGTNQNIHYSLA-UHFFFAOYSA-N 2 0 320.481 0.875 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+](CCO)CC2)CC1 ZINC001001473168 666057112 /nfs/dbraw/zinc/05/71/12/666057112.db2.gz XXILBUKKWXORFG-UHFFFAOYSA-N 2 0 305.422 0.072 20 30 DCEDRP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942056435 666103899 /nfs/dbraw/zinc/10/38/99/666103899.db2.gz HCHFMNDTDPKBDO-GJZGRUSLSA-N 2 0 317.437 0.518 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC001002145442 666135941 /nfs/dbraw/zinc/13/59/41/666135941.db2.gz OTHQCLSDCISSHU-UHFFFAOYSA-N 2 0 301.434 0.793 20 30 DCEDRP CC#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001002875634 666238264 /nfs/dbraw/zinc/23/82/64/666238264.db2.gz ONBKXDCSGZBVCG-HOTGVXAUSA-N 2 0 305.422 0.454 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC001004201281 666475937 /nfs/dbraw/zinc/47/59/37/666475937.db2.gz LUOAFBJKRKJCAS-CQSZACIVSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCOC)C[C@@H]2C)CC1 ZINC000945185362 666578302 /nfs/dbraw/zinc/57/83/02/666578302.db2.gz ZXAYZSDQFWSAOG-DOTOQJQBSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490430 666730693 /nfs/dbraw/zinc/73/06/93/666730693.db2.gz SDJVRBIBHARDHB-OAHLLOKOSA-N 2 0 305.426 0.777 20 30 DCEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1(C)C ZINC000996624970 666839964 /nfs/dbraw/zinc/83/99/64/666839964.db2.gz QJTBAVUZYHRQEI-GJZGRUSLSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001036034830 667421787 /nfs/dbraw/zinc/42/17/87/667421787.db2.gz CNESKRUANQGKLQ-HUUCEWRRSA-N 2 0 317.437 0.518 20 30 DCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001036243461 667432116 /nfs/dbraw/zinc/43/21/16/667432116.db2.gz ZGOHRKZUWLDULP-GOEBONIOSA-N 2 0 307.438 0.557 20 30 DCEDRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CCCC#N)C[C@H]1C[NH+](C)C ZINC000867588437 667472846 /nfs/dbraw/zinc/47/28/46/667472846.db2.gz CRGSFSIZAOYQJL-ZIAGYGMSSA-N 2 0 316.471 0.291 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[C@H]([NH+]3CCCC3)C1)C2 ZINC000884209531 667499996 /nfs/dbraw/zinc/49/99/96/667499996.db2.gz CCCWJYZWBPRMEY-DGNOSDGRSA-N 2 0 302.422 0.822 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884249805 667508907 /nfs/dbraw/zinc/50/89/07/667508907.db2.gz RQRQTTRTCNVADU-YUSALJHKSA-N 2 0 323.194 0.677 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2C[NH2+]C)CC1 ZINC000884642728 667581281 /nfs/dbraw/zinc/58/12/81/667581281.db2.gz PYEMZZHYXCNZAQ-OAHLLOKOSA-N 2 0 322.453 0.354 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000876783571 668510769 /nfs/dbraw/zinc/51/07/69/668510769.db2.gz HFZXCHVYBOOQDI-KGLIPLIRSA-N 2 0 314.861 0.695 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000876880203 668526717 /nfs/dbraw/zinc/52/67/17/668526717.db2.gz GIPWHWWHZUSFEB-ZDUSSCGKSA-N 2 0 302.850 0.552 20 30 DCEDRP C=CC[C@]1(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)CCC[NH2+]1 ZINC000877251211 668584086 /nfs/dbraw/zinc/58/40/86/668584086.db2.gz JHBRTHPPLAOOCL-GOSISDBHSA-N 2 0 320.481 0.923 20 30 DCEDRP Cc1nc(C#N)cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000882679025 669568283 /nfs/dbraw/zinc/56/82/83/669568283.db2.gz OQXIGFRCFPODLG-ZIAGYGMSSA-N 2 0 302.426 0.832 20 30 DCEDRP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC000949244566 670295850 /nfs/dbraw/zinc/29/58/50/670295850.db2.gz NZLZUOUHYDVPTQ-MRXNPFEDSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC001006446399 670416221 /nfs/dbraw/zinc/41/62/21/670416221.db2.gz YPJHRLOSWWWVFO-OAHLLOKOSA-N 2 0 321.465 0.635 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000852897204 671189693 /nfs/dbraw/zinc/18/96/93/671189693.db2.gz NLKXRIRDWJEHKR-QGZVFWFLSA-N 2 0 319.449 0.703 20 30 DCEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](CC(C)C)[NH+](C)C ZINC000303790794 685207201 /nfs/dbraw/zinc/20/72/01/685207201.db2.gz WVQRORXWVINWSC-OAHLLOKOSA-N 2 0 313.490 0.460 20 30 DCEDRP C[C@H](CNC(=[NH2+])NCCc1ccccc1)N1CC[NH+](C)CC1 ZINC000303972540 685209486 /nfs/dbraw/zinc/20/94/86/685209486.db2.gz FXRZQCHNOGBQHV-OAHLLOKOSA-N 2 0 303.454 0.769 20 30 DCEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000304824667 685211759 /nfs/dbraw/zinc/21/17/59/685211759.db2.gz FWSRGSPZAVMTTA-CABCVRRESA-N 3 0 313.490 0.732 20 30 DCEDRP C=CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958171745 687403497 /nfs/dbraw/zinc/40/34/97/687403497.db2.gz LERXYJFRGLJBBL-CABCVRRESA-N 2 0 307.438 0.457 20 30 DCEDRP C=CC[N@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)[C@H](O)C1 ZINC000958199279 687428954 /nfs/dbraw/zinc/42/89/54/687428954.db2.gz GLKXRSUJSOEFSH-CZUORRHYSA-N 2 0 314.389 0.851 20 30 DCEDRP C#CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958266755 687494585 /nfs/dbraw/zinc/49/45/85/687494585.db2.gz CFACDCQAONUHKA-ZBFHGGJFSA-N 2 0 312.373 0.380 20 30 DCEDRP CC#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC000958344424 687563236 /nfs/dbraw/zinc/56/32/36/687563236.db2.gz HLGDLNMCULLROT-CABCVRRESA-N 2 0 319.405 0.387 20 30 DCEDRP C=CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958555761 687742506 /nfs/dbraw/zinc/74/25/06/687742506.db2.gz NNXJHPIRKKJJGG-HOTGVXAUSA-N 2 0 309.454 0.702 20 30 DCEDRP CC#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958600355 687786435 /nfs/dbraw/zinc/78/64/35/687786435.db2.gz ZLQZKRZZOXSXFX-CJNGLKHVSA-N 2 0 316.405 0.193 20 30 DCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000960264716 688339481 /nfs/dbraw/zinc/33/94/81/688339481.db2.gz IGZRDOYXEOZJEX-VVLHAWIVSA-N 2 0 317.433 0.309 20 30 DCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-n2ccnc2)ccn1 ZINC000962202521 688847550 /nfs/dbraw/zinc/84/75/50/688847550.db2.gz ZLULFUSSEJYYFE-FOLVSLTJSA-N 2 0 307.357 0.561 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2[C@@H](C)COC)CC1 ZINC001039042255 694284052 /nfs/dbraw/zinc/28/40/52/694284052.db2.gz OKAAQDPVPFOPSZ-HOCLYGCPSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CCO)CC[C@@H]2C)CC1 ZINC000968682778 690365061 /nfs/dbraw/zinc/36/50/61/690365061.db2.gz UJUMHRQRBWSGRZ-HOCLYGCPSA-N 2 0 307.438 0.151 20 30 DCEDRP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001001424692 690544646 /nfs/dbraw/zinc/54/46/46/690544646.db2.gz KVBSCARVVXIBMV-IRXDYDNUSA-N 2 0 319.449 0.701 20 30 DCEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001009628471 691077313 /nfs/dbraw/zinc/07/73/13/691077313.db2.gz OVBNZLVQUASRGO-KRWDZBQOSA-N 2 0 301.434 0.936 20 30 DCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC001072760771 694661173 /nfs/dbraw/zinc/66/11/73/694661173.db2.gz NEZXMJKSGFIZRM-HOTGVXAUSA-N 2 0 317.433 0.407 20 30 DCEDRP C#CC[N@H+]1CCC2(CN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)C1 ZINC001073049910 694698880 /nfs/dbraw/zinc/69/88/80/694698880.db2.gz AWLADNOZAVDIDY-UHFFFAOYSA-N 2 0 315.421 0.226 20 30 DCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001073087577 694703933 /nfs/dbraw/zinc/70/39/33/694703933.db2.gz ZZMIQPYULFJEMM-UHFFFAOYSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCCO)C[C@H]32)CC1 ZINC001076605530 695032268 /nfs/dbraw/zinc/03/22/68/695032268.db2.gz FHRXWYVOEQSRLU-DLBZAZTESA-N 2 0 319.449 0.247 20 30 DCEDRP COCC#CC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001571352278 1162715345 /nfs/dbraw/zinc/71/53/45/1162715345.db2.gz FLCOKLSPKVQEPI-HZPDHXFCSA-N 2 0 309.454 0.708 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001571525684 1162795800 /nfs/dbraw/zinc/79/58/00/1162795800.db2.gz VRZUSMPDULCTDO-GDBMZVCRSA-N 2 0 307.438 0.700 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001672004038 1157405786 /nfs/dbraw/zinc/40/57/86/1157405786.db2.gz RLHFBZKMDNYWOH-DOTOQJQBSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001692245005 1157720016 /nfs/dbraw/zinc/72/00/16/1157720016.db2.gz KSGBERUSOLYCSM-HNNXBMFYSA-N 2 0 305.422 0.001 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)[C@H](CC)C(N)=O)CC1 ZINC001752121354 1157837223 /nfs/dbraw/zinc/83/72/23/1157837223.db2.gz IFOKSXLDYWCVKG-OAHLLOKOSA-N 2 0 322.453 0.034 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC(O)(C[NH2+]C(C)C)CC2)CC1 ZINC001755156032 1157966197 /nfs/dbraw/zinc/96/61/97/1157966197.db2.gz MFZYOVPDEZNSQU-UHFFFAOYSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001752801227 1158237573 /nfs/dbraw/zinc/23/75/73/1158237573.db2.gz JBESZPGAGGUNSD-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCCOC)CC2)CC1 ZINC001670903981 1158623972 /nfs/dbraw/zinc/62/39/72/1158623972.db2.gz VUGLIHYSRLQEAW-UHFFFAOYSA-N 2 0 307.438 0.607 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001565870257 1159917884 /nfs/dbraw/zinc/91/78/84/1159917884.db2.gz OPZRQFYUXWLJJD-WKILWMFISA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1OCC ZINC001565956679 1159929492 /nfs/dbraw/zinc/92/94/92/1159929492.db2.gz GZTAFFZIORTHBP-IXDOHACOSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C2([NH+](C)C)CCC2)n1 ZINC001565989960 1159935816 /nfs/dbraw/zinc/93/58/16/1159935816.db2.gz BXENSANQWPHMCZ-UHFFFAOYSA-N 2 0 319.409 0.558 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCOCC=C)C2)CC1 ZINC001566682080 1160127710 /nfs/dbraw/zinc/12/77/10/1160127710.db2.gz OAPKREKNDNYGJK-KRWDZBQOSA-N 2 0 319.449 0.725 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001566839323 1160165479 /nfs/dbraw/zinc/16/54/79/1160165479.db2.gz VHSBMHWNRNTASA-XPABHHOTSA-N 2 0 322.453 0.254 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001566946843 1160192060 /nfs/dbraw/zinc/19/20/60/1160192060.db2.gz ZTIFJGIKHHDSBY-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001568640761 1160719009 /nfs/dbraw/zinc/71/90/09/1160719009.db2.gz PGYGIPFEWSPJNZ-ZIAGYGMSSA-N 2 0 322.453 0.093 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001569854412 1161285477 /nfs/dbraw/zinc/28/54/77/1161285477.db2.gz BJWZONGJUHXKPS-CVEARBPZSA-N 2 0 309.454 0.661 20 30 DCEDRP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001569950667 1161343195 /nfs/dbraw/zinc/34/31/95/1161343195.db2.gz QKCQWFXJSIOESR-HOTGVXAUSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCO1 ZINC001570138964 1161433165 /nfs/dbraw/zinc/43/31/65/1161433165.db2.gz GOEAHJDPMZXIHC-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001570142622 1161438395 /nfs/dbraw/zinc/43/83/95/1161438395.db2.gz QLPRNCZJVUBACJ-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001570290568 1161545751 /nfs/dbraw/zinc/54/57/51/1161545751.db2.gz AIEBKTRJSWLBFA-NVXWUHKLSA-N 2 0 309.454 0.683 20 30 DCEDRP C=C[C@H](COC)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001574872135 1163780685 /nfs/dbraw/zinc/78/06/85/1163780685.db2.gz HFHIDIFGFGUJSZ-BMFZPTHFSA-N 2 0 322.453 0.798 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC([NH2+]C3CCOCC3)C1)C2 ZINC001580042049 1165482750 /nfs/dbraw/zinc/48/27/50/1165482750.db2.gz MFOQPTFHGDBQFJ-UIORMTCPSA-N 2 0 318.421 0.105 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001580044002 1165483817 /nfs/dbraw/zinc/48/38/17/1165483817.db2.gz VEKFEZUBJVZVET-ILXRZTDVSA-N 2 0 305.426 0.662 20 30 DCEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001580043885 1165483967 /nfs/dbraw/zinc/48/39/67/1165483967.db2.gz SAPLZHYOCLDQKI-WFASDCNBSA-N 2 0 314.393 0.461 20 30 DCEDRP C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC[C@H]21 ZINC001646151432 1172275718 /nfs/dbraw/zinc/27/57/18/1172275718.db2.gz HILLAIXOYUASMG-RJZXRHAOSA-N 2 0 302.422 0.678 20 30 DCEDRP C=CCC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001656784855 1173885520 /nfs/dbraw/zinc/88/55/20/1173885520.db2.gz ZYQJDXJDCOUSDK-HOTGVXAUSA-N 2 0 309.454 0.800 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001661639989 1174143442 /nfs/dbraw/zinc/14/34/42/1174143442.db2.gz AXZFSIDUVXHTNQ-ZQDZILKHSA-N 2 0 322.453 0.256 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001665687131 1174550329 /nfs/dbraw/zinc/55/03/29/1174550329.db2.gz XNJHALMVTWCATK-CVEARBPZSA-N 2 0 307.438 0.511 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001666943017 1174649367 /nfs/dbraw/zinc/64/93/67/1174649367.db2.gz GBPPGKDPPOWFKU-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[NH2+]C/C=C\CNC(=O)CC1CC[NH+](C)CC1 ZINC001669075315 1174886240 /nfs/dbraw/zinc/88/62/40/1174886240.db2.gz OMWNKAHDGAPBFH-ARJAWSKDSA-N 2 0 307.438 0.630 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001669681797 1174943383 /nfs/dbraw/zinc/94/33/83/1174943383.db2.gz NWEHYJWVXKYXII-GJZGRUSLSA-N 2 0 324.469 0.646 20 30 DCEDRP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001671774038 1175036248 /nfs/dbraw/zinc/03/62/48/1175036248.db2.gz CZNXSVSHRYHUFE-QGZVFWFLSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CCO1 ZINC001673342897 1175193765 /nfs/dbraw/zinc/19/37/65/1175193765.db2.gz SCTBMWAAQICZJS-MRXNPFEDSA-N 2 0 307.438 0.703 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001674311417 1175269417 /nfs/dbraw/zinc/26/94/17/1175269417.db2.gz SBKMOOPMKJJZJB-AWEZNQCLSA-N 2 0 313.417 0.243 20 30 DCEDRP C#CCC[NH2+]CCCOC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001675159576 1175332821 /nfs/dbraw/zinc/33/28/21/1175332821.db2.gz AUTALIMOSJAKCI-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001676272861 1175434001 /nfs/dbraw/zinc/43/40/01/1175434001.db2.gz DWHGGPXESPAMIR-HZPDHXFCSA-N 2 0 307.438 0.415 20 30 DCEDRP C=CCC[NH2+][C@H](CO)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001676584213 1175463230 /nfs/dbraw/zinc/46/32/30/1175463230.db2.gz QZWPLKLBEIOKHM-BBRMVZONSA-N 2 0 315.433 0.842 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001676692138 1175476479 /nfs/dbraw/zinc/47/64/79/1175476479.db2.gz AVFRUUZUMRAUPC-ZIAGYGMSSA-N 2 0 310.442 0.208 20 30 DCEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001677129591 1175532510 /nfs/dbraw/zinc/53/25/10/1175532510.db2.gz NFVDNFPNJZSTEW-INIZCTEOSA-N 2 0 307.438 0.151 20 30 DCEDRP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001677174639 1175544573 /nfs/dbraw/zinc/54/45/73/1175544573.db2.gz QKZIDVJRWKPDAF-KRWDZBQOSA-N 2 0 317.433 0.746 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CCOCC[NH2+]CC#CC)CC1 ZINC001677519668 1175573905 /nfs/dbraw/zinc/57/39/05/1175573905.db2.gz JTJRTYUUNLGRDP-UHFFFAOYSA-N 2 0 319.449 0.420 20 30 DCEDRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCC#CC[NH+](C)C ZINC001687889150 1175590799 /nfs/dbraw/zinc/59/07/99/1175590799.db2.gz NYSQFNZZXXFYQA-UHFFFAOYSA-N 2 0 323.485 0.219 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001689793475 1177044655 /nfs/dbraw/zinc/04/46/55/1177044655.db2.gz MAUJTSTVBGJQIN-KGLIPLIRSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001689807427 1177066002 /nfs/dbraw/zinc/06/60/02/1177066002.db2.gz UWCYOOACIOVKSY-CQSZACIVSA-N 2 0 322.453 0.047 20 30 DCEDRP CC[N@@H+](CC#CCOC)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001689965006 1177130605 /nfs/dbraw/zinc/13/06/05/1177130605.db2.gz FFHGPTIMEJKVHJ-INIZCTEOSA-N 2 0 309.454 0.806 20 30 DCEDRP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001692037095 1177406985 /nfs/dbraw/zinc/40/69/85/1177406985.db2.gz UCFFQBLEQHUOOG-SJORKVTESA-N 2 0 321.465 0.800 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001692076212 1177412111 /nfs/dbraw/zinc/41/21/11/1177412111.db2.gz FACRVBJJZAPSQQ-CVEARBPZSA-N 2 0 307.438 0.368 20 30 DCEDRP COCC#CC[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699003458 1177763953 /nfs/dbraw/zinc/76/39/53/1177763953.db2.gz XBQYRIPVHUCETJ-INIZCTEOSA-N 2 0 307.438 0.368 20 30 DCEDRP COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699102254 1177858087 /nfs/dbraw/zinc/85/80/87/1177858087.db2.gz IXGPVMFPKQRGMH-GOEBONIOSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC#CCOC)CC2)CC1 ZINC001699675409 1178247721 /nfs/dbraw/zinc/24/77/21/1178247721.db2.gz IJVYVJXQOBSIHI-UHFFFAOYSA-N 2 0 317.433 0.220 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC1(O)C[NH+]([C@@H](C)CCC=C)C1 ZINC001699916007 1178375245 /nfs/dbraw/zinc/37/52/45/1178375245.db2.gz LHYGQNOVQWDHDY-HOTGVXAUSA-N 2 0 319.449 0.602 20 30 DCEDRP C=CCOCC[NH+]1C[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001699990558 1178409117 /nfs/dbraw/zinc/40/91/17/1178409117.db2.gz DWJGCCGNWVZGMK-ZACQAIPSSA-N 2 0 321.465 0.921 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)C12CCC[NH+](CCC1)C2 ZINC001700029656 1178446227 /nfs/dbraw/zinc/44/62/27/1178446227.db2.gz VZGMDOFIXQUWQH-UHFFFAOYSA-N 2 0 307.438 0.296 20 30 DCEDRP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001700233388 1178544258 /nfs/dbraw/zinc/54/42/58/1178544258.db2.gz PNZRSIYTLBPVCZ-BFYDXBDKSA-N 2 0 309.454 0.846 20 30 DCEDRP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001700233389 1178545138 /nfs/dbraw/zinc/54/51/38/1178545138.db2.gz PNZRSIYTLBPVCZ-INMHGKMJSA-N 2 0 309.454 0.846 20 30 DCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001700236831 1178545856 /nfs/dbraw/zinc/54/58/56/1178545856.db2.gz QZAMHXVIGXMMIG-SFHVURJKSA-N 2 0 321.465 0.992 20 30 DCEDRP C=C(C)CC[NH+]1CCC(CO)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001700339653 1178588255 /nfs/dbraw/zinc/58/82/55/1178588255.db2.gz SEMHDNVUNYQIMI-UHFFFAOYSA-N 2 0 321.465 0.992 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001700399700 1178607855 /nfs/dbraw/zinc/60/78/55/1178607855.db2.gz ZDOJJSVGSGBPOV-WLYUNCDWSA-N 2 0 322.453 0.115 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001700399699 1178607866 /nfs/dbraw/zinc/60/78/66/1178607866.db2.gz ZDOJJSVGSGBPOV-NFOMZHRRSA-N 2 0 322.453 0.115 20 30 DCEDRP COCC#CC[NH2+]CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001713649784 1180993343 /nfs/dbraw/zinc/99/33/43/1180993343.db2.gz QSRPXADRHBCLCT-UHFFFAOYSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001714125511 1181255356 /nfs/dbraw/zinc/25/53/56/1181255356.db2.gz XAEKGPSOXKEZBC-LSDHHAIUSA-N 2 0 322.453 0.095 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001714634336 1181453576 /nfs/dbraw/zinc/45/35/76/1181453576.db2.gz LYSAVRDRELSWHQ-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCOCC[NH+]1CC[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001714640926 1181457348 /nfs/dbraw/zinc/45/73/48/1181457348.db2.gz DJQUFLDIEMJDLF-HOTGVXAUSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]C[C@H](C)OC)CC1 ZINC001714878728 1181581238 /nfs/dbraw/zinc/58/12/38/1181581238.db2.gz HTKCRKVQIPDROZ-GJZGRUSLSA-N 2 0 309.454 0.803 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]Cc2cnon2)CC1 ZINC001715705976 1181949734 /nfs/dbraw/zinc/94/97/34/1181949734.db2.gz CXILPHWOHSBVRZ-CYBMUJFWSA-N 2 0 319.409 0.399 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C[C@H](C)NC(=O)C2CC[NH+](C)CC2)C1=O ZINC001715991925 1182135583 /nfs/dbraw/zinc/13/55/83/1182135583.db2.gz AFQIMISFNFTLGC-ZFWWWQNUSA-N 2 0 322.453 0.209 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001716696281 1182498312 /nfs/dbraw/zinc/49/83/12/1182498312.db2.gz CQFJSHAQHGZTKV-CVEARBPZSA-N 2 0 319.449 0.892 20 30 DCEDRP C#CCN(C(=O)CC[C@H]1CCC[N@H+]1C)C1CC[NH+](CCO)CC1 ZINC001716806475 1182531471 /nfs/dbraw/zinc/53/14/71/1182531471.db2.gz BDGRQCXQGZXTHY-MRXNPFEDSA-N 2 0 321.465 0.779 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@@H+](C(C)C)C2)CC1 ZINC001716930372 1182586066 /nfs/dbraw/zinc/58/60/66/1182586066.db2.gz RWDHVPRLURJKST-KRWDZBQOSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001716975750 1182608135 /nfs/dbraw/zinc/60/81/35/1182608135.db2.gz RMZWALVFRDZIMV-DOTOQJQBSA-N 2 0 301.434 0.791 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1C ZINC001716992423 1182613209 /nfs/dbraw/zinc/61/32/09/1182613209.db2.gz RNQFLNHHWIRVLW-GJZGRUSLSA-N 2 0 317.437 0.376 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCOCC1 ZINC001717267689 1182758070 /nfs/dbraw/zinc/75/80/70/1182758070.db2.gz XGDYROUXDLTDJL-HOTGVXAUSA-N 2 0 319.449 0.892 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001717322120 1182781044 /nfs/dbraw/zinc/78/10/44/1182781044.db2.gz FOYQRFRWNRZXFB-UHFFFAOYSA-N 2 0 307.438 0.295 20 30 DCEDRP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001717783721 1182999487 /nfs/dbraw/zinc/99/94/87/1182999487.db2.gz COEZZHFVQAFMRY-QGZVFWFLSA-N 2 0 317.433 0.445 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCOCC)CC1 ZINC001722915160 1184232327 /nfs/dbraw/zinc/23/23/27/1184232327.db2.gz FOGXRGXCQPVDDX-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001724400793 1184429375 /nfs/dbraw/zinc/42/93/75/1184429375.db2.gz FHILFPRCHYGBFK-DOTOQJQBSA-N 2 0 309.454 0.990 20 30 DCEDRP CC#CC[NH2+]C1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001724630406 1184481398 /nfs/dbraw/zinc/48/13/98/1184481398.db2.gz CPJJATWUCVUBNA-HNNXBMFYSA-N 2 0 306.454 0.132 20 30 DCEDRP C=C(C)C[N@H+]1CCC[C@](CO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001724642275 1184493187 /nfs/dbraw/zinc/49/31/87/1184493187.db2.gz ROBJMDFPYQXKAT-KRWDZBQOSA-N 2 0 309.454 0.847 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001724841979 1184587506 /nfs/dbraw/zinc/58/75/06/1184587506.db2.gz GLHKEWAMTOOJSY-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001724913569 1184616615 /nfs/dbraw/zinc/61/66/15/1184616615.db2.gz SXGZOYCYYDIJQY-SJLPKXTDSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001724985106 1184644465 /nfs/dbraw/zinc/64/44/65/1184644465.db2.gz DPZQFKOZHUCJII-HOTGVXAUSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001725049100 1184666816 /nfs/dbraw/zinc/66/68/16/1184666816.db2.gz MNWCZESIQDESMI-INIZCTEOSA-N 2 0 317.437 0.614 20 30 DCEDRP C=CCOCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001731528696 1185376230 /nfs/dbraw/zinc/37/62/30/1185376230.db2.gz GZFGIYKPCCJCTF-HZPDHXFCSA-N 2 0 309.454 0.969 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001731565930 1185392666 /nfs/dbraw/zinc/39/26/66/1185392666.db2.gz WIJPLXNYJGYUBC-YXISZKLHSA-N 2 0 319.449 0.555 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001731624153 1185417254 /nfs/dbraw/zinc/41/72/54/1185417254.db2.gz SMPWYMOMALPELR-CABCVRRESA-N 2 0 324.469 0.647 20 30 DCEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001731661590 1185435058 /nfs/dbraw/zinc/43/50/58/1185435058.db2.gz DTHCAXAVEQCPIM-OAHLLOKOSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001731694134 1185447706 /nfs/dbraw/zinc/44/77/06/1185447706.db2.gz IBJBEHUOTYQSCZ-CABCVRRESA-N 2 0 322.453 0.095 20 30 DCEDRP COCC#CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001731876965 1185545517 /nfs/dbraw/zinc/54/55/17/1185545517.db2.gz KFVZJKLBOZERHD-GDBMZVCRSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001731939962 1185594735 /nfs/dbraw/zinc/59/47/35/1185594735.db2.gz PQFWHAZAKHBBHV-UHFFFAOYSA-N 2 0 310.442 0.211 20 30 DCEDRP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+]([C@H](C)COC)CC1 ZINC001733372724 1186244199 /nfs/dbraw/zinc/24/41/99/1186244199.db2.gz UDYNUTSORZMCJR-OAHLLOKOSA-N 2 0 309.454 0.899 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001733554427 1186330492 /nfs/dbraw/zinc/33/04/92/1186330492.db2.gz WMSJUYKMJVZOLA-JKSUJKDBSA-N 2 0 321.465 0.662 20 30 DCEDRP C#CCC[N@@H+](C)CCCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001733779167 1186443793 /nfs/dbraw/zinc/44/37/93/1186443793.db2.gz IXDYFBFWLRSJKK-UHFFFAOYSA-N 2 0 309.454 0.901 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2(CO)CC[NH+](CCC)CC2)CC1 ZINC001733916749 1186496412 /nfs/dbraw/zinc/49/64/12/1186496412.db2.gz RAUQOUAZUOMYET-UHFFFAOYSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001734429284 1186651274 /nfs/dbraw/zinc/65/12/74/1186651274.db2.gz WPSZHPVHOMIOMV-CABCVRRESA-N 2 0 307.438 0.700 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCNC(=O)CCn2ccnc2)CC1 ZINC001752370121 1188418466 /nfs/dbraw/zinc/41/84/66/1188418466.db2.gz GUQUMNGKAPCUQL-UHFFFAOYSA-N 2 0 305.426 0.583 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001752958875 1188467776 /nfs/dbraw/zinc/46/77/76/1188467776.db2.gz RAGSCAUQEHMBTQ-AEFFLSMTSA-N 2 0 319.449 0.560 20 30 DCEDRP C=CCN1CC[C@H]([N@H+](CC)CCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001753095149 1188496456 /nfs/dbraw/zinc/49/64/56/1188496456.db2.gz YOLCGFWOFKTOAF-GJZGRUSLSA-N 2 0 322.453 0.163 20 30 DCEDRP C=CCN1CC[C@H]([N@H+](CC)CCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001753095148 1188497186 /nfs/dbraw/zinc/49/71/86/1188497186.db2.gz YOLCGFWOFKTOAF-CABCVRRESA-N 2 0 322.453 0.163 20 30 DCEDRP COCC#CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC001753160168 1188518592 /nfs/dbraw/zinc/51/85/92/1188518592.db2.gz UOLGSVOMOKILHO-HOTGVXAUSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001753340165 1188567907 /nfs/dbraw/zinc/56/79/07/1188567907.db2.gz ZAMPSWVHIKABLC-HOTGVXAUSA-N 2 0 307.438 0.416 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001753601512 1188622619 /nfs/dbraw/zinc/62/26/19/1188622619.db2.gz PQGWHJWODVSYSU-KFWWJZLASA-N 2 0 324.469 0.598 20 30 DCEDRP CC#CC[NH2+]C1CCN(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001754850919 1188948549 /nfs/dbraw/zinc/94/85/49/1188948549.db2.gz ZGURZQVAJXPHRA-UHFFFAOYSA-N 2 0 320.481 0.522 20 30 DCEDRP C=CCC[NH2+]CC1(O)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001755150649 1189037040 /nfs/dbraw/zinc/03/70/40/1189037040.db2.gz DYRPSKUURUCJEE-UHFFFAOYSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001755252552 1189064787 /nfs/dbraw/zinc/06/47/87/1189064787.db2.gz JHEBJNLTEADTQC-CHWSQXEVSA-N 2 0 310.442 0.113 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(CC#CCOC)C1 ZINC001755390681 1189100441 /nfs/dbraw/zinc/10/04/41/1189100441.db2.gz XIUYGOVLQARHIN-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[NH2+]CC(=C)C)CC1 ZINC001755795395 1189217822 /nfs/dbraw/zinc/21/78/22/1189217822.db2.gz FLONQQHMXOCGGT-INIZCTEOSA-N 2 0 307.438 0.317 20 30 DCEDRP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001755800369 1189221120 /nfs/dbraw/zinc/22/11/20/1189221120.db2.gz HLBJZKWETYALFZ-CVEARBPZSA-N 2 0 307.438 0.103 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C ZINC001755839911 1189232230 /nfs/dbraw/zinc/23/22/30/1189232230.db2.gz NVZARJIYVOEFQH-CQSZACIVSA-N 2 0 324.469 0.197 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001755865596 1189239626 /nfs/dbraw/zinc/23/96/26/1189239626.db2.gz JWUKQQMOONBMGQ-WLYUNCDWSA-N 2 0 324.469 0.596 20 30 DCEDRP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(OC2C[NH2+]C2)CC1 ZINC001577669431 1164759927 /nfs/dbraw/zinc/75/99/27/1164759927.db2.gz SFYCYYZRPOISGQ-CYBMUJFWSA-N 2 0 308.426 0.447 20 30 DCEDRP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001098461282 761885027 /nfs/dbraw/zinc/88/50/27/761885027.db2.gz ZVLPCRSTRVQTPN-HOTGVXAUSA-N 2 0 321.465 0.635 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001098561267 747340424 /nfs/dbraw/zinc/34/04/24/747340424.db2.gz YZJYNLCYSMLUIH-HNNXBMFYSA-N 2 0 307.438 0.247 20 30 DCEDRP C#CCC[N@@H+](CCO)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001098462377 762019646 /nfs/dbraw/zinc/01/96/46/762019646.db2.gz QWZDBLYYRKRONF-UHFFFAOYSA-N 2 0 321.465 0.637 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC001120504185 750665565 /nfs/dbraw/zinc/66/55/65/750665565.db2.gz ITHCHQMBRRIKCU-UHFFFAOYSA-N 2 0 323.485 0.749 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](C)O)[C@@H]2C)CC1 ZINC001089059140 750781783 /nfs/dbraw/zinc/78/17/83/750781783.db2.gz ATEAYHUMPCMTTM-FMKPAKJESA-N 2 0 307.438 0.291 20 30 DCEDRP COCC#CC[NH2+]CCNC(=O)c1ccn2c(C)cnc2c1 ZINC001127292866 751036658 /nfs/dbraw/zinc/03/66/58/751036658.db2.gz NSUALCWBODAVET-UHFFFAOYSA-N 2 0 300.362 0.612 20 30 DCEDRP C=CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001046033370 753437664 /nfs/dbraw/zinc/43/76/64/753437664.db2.gz VUEGPHQPHKZONO-IXDOHACOSA-N 2 0 320.481 0.731 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001046058712 753453411 /nfs/dbraw/zinc/45/34/11/753453411.db2.gz RLUYTDYDVUIHAN-QGZVFWFLSA-N 2 0 318.465 0.180 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001046063685 753457751 /nfs/dbraw/zinc/45/77/51/753457751.db2.gz UUHZBEVDCKEIIE-IRXDYDNUSA-N 2 0 320.481 0.568 20 30 DCEDRP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001047498363 754333376 /nfs/dbraw/zinc/33/33/76/754333376.db2.gz RYDMMLYKMNBLBJ-IKGGRYGDSA-N 2 0 321.465 0.635 20 30 DCEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228241 754578915 /nfs/dbraw/zinc/57/89/15/754578915.db2.gz JVQUUESZOJVXIT-CABCVRRESA-N 2 0 320.441 0.538 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CN(C)CCO1 ZINC001049392303 755247446 /nfs/dbraw/zinc/24/74/46/755247446.db2.gz XNWLBVBMMKJFCK-BZUAXINKSA-N 2 0 307.438 0.958 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)OC)C[C@H]2C)CC1 ZINC001080998190 756417899 /nfs/dbraw/zinc/41/78/99/756417899.db2.gz VYLHJJMIYBWAEE-BFYDXBDKSA-N 2 0 321.465 0.803 20 30 DCEDRP C#CC[NH2+][C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001054654013 756600149 /nfs/dbraw/zinc/60/01/49/756600149.db2.gz GBUPNJLSRWMDNO-HIFRSBDPSA-N 2 0 303.410 0.128 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001081884594 756836782 /nfs/dbraw/zinc/83/67/82/756836782.db2.gz FLHRGWIVVMGYMD-IXDOHACOSA-N 2 0 321.465 0.946 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](OC)C1 ZINC001081899937 756849935 /nfs/dbraw/zinc/84/99/35/756849935.db2.gz QVPLLVNDGYYCIZ-HZPDHXFCSA-N 2 0 312.373 0.787 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@@H](C)O)C2)CC1 ZINC001082941522 757337853 /nfs/dbraw/zinc/33/78/53/757337853.db2.gz VMRHGEBDGUEOSC-IIAWOOMASA-N 2 0 307.438 0.149 20 30 DCEDRP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC001090398759 757908114 /nfs/dbraw/zinc/90/81/14/757908114.db2.gz IFYQVWHILMQAIW-LSDHHAIUSA-N 2 0 300.362 0.685 20 30 DCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085279683 758796881 /nfs/dbraw/zinc/79/68/81/758796881.db2.gz XNRRSDQTDPWTLJ-DSZOFWSKSA-N 2 0 317.433 0.500 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731770 759245608 /nfs/dbraw/zinc/24/56/08/759245608.db2.gz KFLHJRXJCUOJRR-GARNVTTQSA-N 2 0 319.449 0.958 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2C[C@@H](C)OC)CC1 ZINC001085987046 759547597 /nfs/dbraw/zinc/54/75/97/759547597.db2.gz RXSSVKNQIOVKQH-WBVHZDCISA-N 2 0 321.465 0.899 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001070213248 761137922 /nfs/dbraw/zinc/13/79/22/761137922.db2.gz ILTBBOANVUXFGY-ILXRZTDVSA-N 2 0 320.441 0.392 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCO)C2)CC1 ZINC001086882143 768082089 /nfs/dbraw/zinc/08/20/89/768082089.db2.gz CAACYUHDGKORLN-GOEBONIOSA-N 2 0 307.438 0.198 20 30 DCEDRP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001099174303 762826306 /nfs/dbraw/zinc/82/63/06/762826306.db2.gz GYSPVWPZFRVCAM-HKUYNNGSSA-N 2 0 313.445 0.936 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099330697 762866398 /nfs/dbraw/zinc/86/63/98/762866398.db2.gz COALONZCLRJUCB-YNEHKIRRSA-N 2 0 317.355 0.940 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129422839 762935251 /nfs/dbraw/zinc/93/52/51/762935251.db2.gz MHWGCEQYCYLMSH-CABCVRRESA-N 2 0 322.453 0.093 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129422840 762936008 /nfs/dbraw/zinc/93/60/08/762936008.db2.gz MHWGCEQYCYLMSH-GJZGRUSLSA-N 2 0 322.453 0.093 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(OC)ns1 ZINC001129770535 763006984 /nfs/dbraw/zinc/00/69/84/763006984.db2.gz HOYIZSBCRJESQP-ZDUSSCGKSA-N 2 0 322.434 0.455 20 30 DCEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099871434 763089208 /nfs/dbraw/zinc/08/92/08/763089208.db2.gz DBHNFRUWGIOFNY-HUUCEWRRSA-N 2 0 309.454 0.988 20 30 DCEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099874183 763092410 /nfs/dbraw/zinc/09/24/10/763092410.db2.gz HFAGOQRYVDDPMW-LSDHHAIUSA-N 2 0 309.454 0.988 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001099938440 763143032 /nfs/dbraw/zinc/14/30/32/763143032.db2.gz WASNFCGTOLVUEP-HOTGVXAUSA-N 2 0 321.465 0.826 20 30 DCEDRP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130136949 763144159 /nfs/dbraw/zinc/14/41/59/763144159.db2.gz APTBHMCFFQNBEK-CABCVRRESA-N 2 0 320.441 0.536 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130303938 763223129 /nfs/dbraw/zinc/22/31/29/763223129.db2.gz OLWTVWQQTGJXHY-OAHLLOKOSA-N 2 0 322.453 0.377 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cnn(C)c1 ZINC001087009616 768117392 /nfs/dbraw/zinc/11/73/92/768117392.db2.gz POVQGCHRKGXJTO-VNQPRFMTSA-N 2 0 317.437 0.442 20 30 DCEDRP C=CCOCC[N@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100041596 763248425 /nfs/dbraw/zinc/24/84/25/763248425.db2.gz LKMCDCYKBLVCBC-LSDHHAIUSA-N 2 0 313.442 0.082 20 30 DCEDRP COCC#CC[NH2+]CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001206061793 763314833 /nfs/dbraw/zinc/31/48/33/763314833.db2.gz PPZSRPOUGDMJEM-UHFFFAOYSA-N 2 0 321.465 0.806 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](O)C1 ZINC001090489520 763419645 /nfs/dbraw/zinc/41/96/45/763419645.db2.gz NFSFSAIMPDUQRP-LSDHHAIUSA-N 2 0 307.438 0.436 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100319523 763486507 /nfs/dbraw/zinc/48/65/07/763486507.db2.gz QBYLCQYUNJRJKI-JCYILVPMSA-N 2 0 321.465 0.993 20 30 DCEDRP C#CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@@H+](C)CCC)C[C@H](C)O2 ZINC001131697623 763956900 /nfs/dbraw/zinc/95/69/00/763956900.db2.gz OBVLGQLLBVWLLX-RDJZCZTQSA-N 2 0 307.438 0.653 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579571 764712736 /nfs/dbraw/zinc/71/27/36/764712736.db2.gz FFGCOIHXNIMFDY-HZPDHXFCSA-N 2 0 307.438 0.416 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600614 764719773 /nfs/dbraw/zinc/71/97/73/764719773.db2.gz MWJGNLNTKFAHTK-HZPDHXFCSA-N 2 0 309.454 0.661 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001112198439 765472696 /nfs/dbraw/zinc/47/26/96/765472696.db2.gz VXISIRQYZOSDNT-VXGBXAGGSA-N 2 0 305.344 0.940 20 30 DCEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001115245206 765660499 /nfs/dbraw/zinc/66/04/99/765660499.db2.gz NMIVUOVNAMECSF-CAOSSQGBSA-N 2 0 307.438 0.577 20 30 DCEDRP COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298721 765873629 /nfs/dbraw/zinc/87/36/29/765873629.db2.gz OOTRVZVJUKUCCP-HUUCEWRRSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299051 765873693 /nfs/dbraw/zinc/87/36/93/765873693.db2.gz SUUYOZDNDHCDTI-KBPBESRZSA-N 2 0 324.469 0.503 20 30 DCEDRP O=C(NCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1N=CC=CC1=O ZINC001116467133 765873891 /nfs/dbraw/zinc/87/38/91/765873891.db2.gz SKTRNLVPVPIXOL-JJLJGCLUSA-N 2 0 304.394 0.729 20 30 DCEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001086763125 766093065 /nfs/dbraw/zinc/09/30/65/766093065.db2.gz SVHJURONOOJJQJ-CLEAANHHSA-N 2 0 319.449 0.910 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001119418712 766670898 /nfs/dbraw/zinc/67/08/98/766670898.db2.gz UFRLWGDZTJRAJF-UKRRQHHQSA-N 2 0 322.453 0.529 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171161574 766862869 /nfs/dbraw/zinc/86/28/69/766862869.db2.gz ORZKVCKLUYCACX-CABCVRRESA-N 2 0 324.469 0.505 20 30 DCEDRP COCC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001120834665 767248637 /nfs/dbraw/zinc/24/86/37/767248637.db2.gz KYWZJAZAAFBRFO-HVEGKCCWSA-N 2 0 319.449 0.747 20 30 DCEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001092911615 768415213 /nfs/dbraw/zinc/41/52/13/768415213.db2.gz VOUQVOJENQOOIX-BRWVUGGUSA-N 2 0 321.465 0.803 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001202990774 768503910 /nfs/dbraw/zinc/50/39/10/768503910.db2.gz CYRPWKUMSDKXLG-CQSZACIVSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CCC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001149855134 768884979 /nfs/dbraw/zinc/88/49/79/768884979.db2.gz VRPHSMMSEQOQDU-INIZCTEOSA-N 2 0 307.438 0.701 20 30 DCEDRP CC#CC[NH+]1CCCO[C@@H](CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001149936865 768910392 /nfs/dbraw/zinc/91/03/92/768910392.db2.gz PACOBBOXSCCPTA-HNNXBMFYSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C[N@@H+](C)CCC)C1=O ZINC001171763002 769370735 /nfs/dbraw/zinc/37/07/35/769370735.db2.gz PSMRFTFYCGYSQT-CQSZACIVSA-N 2 0 310.442 0.211 20 30 DCEDRP Cc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1C#N ZINC001235870258 769953202 /nfs/dbraw/zinc/95/32/02/769953202.db2.gz IXAJJAAYOJEYEA-UHFFFAOYSA-N 2 0 301.438 0.451 20 30 DCEDRP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176563346 770125707 /nfs/dbraw/zinc/12/57/07/770125707.db2.gz CRRSGJIWKDDMGG-HZPDHXFCSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176601658 770144229 /nfs/dbraw/zinc/14/42/29/770144229.db2.gz WVDHXJBCYHPROC-CVEARBPZSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001179304390 770983665 /nfs/dbraw/zinc/98/36/65/770983665.db2.gz ZNCUOZHIECHSNU-CBBWQLFWSA-N 2 0 322.453 0.350 20 30 DCEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C ZINC001181895803 771365813 /nfs/dbraw/zinc/36/58/13/771365813.db2.gz GFOYJEIBAOATSA-KCYZZUKISA-N 2 0 307.438 0.413 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001185072362 771862814 /nfs/dbraw/zinc/86/28/14/771862814.db2.gz GKGKONHUYUEGOB-HUUCEWRRSA-N 2 0 324.469 0.315 20 30 DCEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162871960 772427285 /nfs/dbraw/zinc/42/72/85/772427285.db2.gz BVBICTRZBLHFTE-CKDBGZEDSA-N 2 0 307.438 0.912 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001163297420 772500767 /nfs/dbraw/zinc/50/07/67/772500767.db2.gz LWBVVEVCWAWODW-UHFFFAOYSA-N 2 0 324.469 0.649 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001190946344 772696358 /nfs/dbraw/zinc/69/63/58/772696358.db2.gz JFANVBBCCNQYEY-HZPDHXFCSA-N 2 0 307.438 0.653 20 30 DCEDRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)CC#CCOC)C1 ZINC001191030222 772711833 /nfs/dbraw/zinc/71/18/33/772711833.db2.gz RYXUPVCSQIQPAW-HNNXBMFYSA-N 2 0 309.454 0.899 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165270851 772713738 /nfs/dbraw/zinc/71/37/38/772713738.db2.gz HZRYZFJDYHCZHB-ZDUSSCGKSA-N 2 0 310.442 0.115 20 30 DCEDRP COCC#CC[NH2+]CC1(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001165491834 772742919 /nfs/dbraw/zinc/74/29/19/772742919.db2.gz BWWFLPROCJAZKN-UHFFFAOYSA-N 2 0 321.465 0.997 20 30 DCEDRP COCC#CC[NH2+]CC1(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001166896876 772874480 /nfs/dbraw/zinc/87/44/80/772874480.db2.gz QEFFUZGHSHHTDE-UHFFFAOYSA-N 2 0 309.454 0.854 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001193447353 773061142 /nfs/dbraw/zinc/06/11/42/773061142.db2.gz OVRZXYVCLNRVAA-RRFJBIMHSA-N 2 0 315.433 0.794 20 30 DCEDRP COCC#CC[NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001206928670 773137388 /nfs/dbraw/zinc/13/73/88/773137388.db2.gz DWTDBMVCIZWOBU-UHFFFAOYSA-N 2 0 307.438 0.560 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001208334918 773435609 /nfs/dbraw/zinc/43/56/09/773435609.db2.gz OFJFDYAYYVKMOB-GDBMZVCRSA-N 2 0 322.453 0.209 20 30 DCEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195661017 773459736 /nfs/dbraw/zinc/45/97/36/773459736.db2.gz DNVNITWOZINJIE-RBSFLKMASA-N 2 0 309.454 0.844 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cnc(C)o2)CC1 ZINC001152330926 773729095 /nfs/dbraw/zinc/72/90/95/773729095.db2.gz XSMOUTIHRFCRPC-UHFFFAOYSA-N 2 0 304.394 0.534 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211089965 773768199 /nfs/dbraw/zinc/76/81/99/773768199.db2.gz DIPJAHFSYNMLAZ-CABCVRRESA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211089968 773768421 /nfs/dbraw/zinc/76/84/21/773768421.db2.gz DIPJAHFSYNMLAZ-LSDHHAIUSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211284568 773790177 /nfs/dbraw/zinc/79/01/77/773790177.db2.gz MZOOMSXPVZIZGP-LSDHHAIUSA-N 2 0 322.453 0.045 20 30 DCEDRP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197820004 773813071 /nfs/dbraw/zinc/81/30/71/773813071.db2.gz SLVNZOUIEWCHNA-HZPDHXFCSA-N 2 0 321.465 0.990 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216757583 774134405 /nfs/dbraw/zinc/13/44/05/774134405.db2.gz DIBXGXRHBOEVHL-RBSFLKMASA-N 2 0 322.453 0.209 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001199827347 774218569 /nfs/dbraw/zinc/21/85/69/774218569.db2.gz VFWBQTMMEXUJAN-UKRRQHHQSA-N 2 0 322.453 0.352 20 30 DCEDRP CO[C@H]1CC[NH2+][C@H](C(=O)Nc2sc3c(c2C#N)CC[NH2+]C3)C1 ZINC001218552455 774246211 /nfs/dbraw/zinc/24/62/11/774246211.db2.gz IZAVZCKNKCJNBR-CABZTGNLSA-N 2 0 320.418 0.971 20 30 DCEDRP CC(=O)Nc1ccc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cc1C#N ZINC001218916057 774326580 /nfs/dbraw/zinc/32/65/80/774326580.db2.gz YZALLCLWCWQCFF-CYBMUJFWSA-N 2 0 313.361 0.264 20 30 DCEDRP COc1cc(C#N)c(F)cc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001219109818 774374775 /nfs/dbraw/zinc/37/47/75/774374775.db2.gz CIIHNJNJCRTKAY-CQSZACIVSA-N 2 0 306.341 0.971 20 30 DCEDRP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001200658449 774392328 /nfs/dbraw/zinc/39/23/28/774392328.db2.gz NEXVCNKMQLEQIA-CVEARBPZSA-N 2 0 305.422 0.454 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCO1 ZINC001201244981 774470664 /nfs/dbraw/zinc/47/06/64/774470664.db2.gz BOEIIBKYBHKRHQ-ULQDDVLXSA-N 2 0 321.465 0.947 20 30 DCEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201870651 774569808 /nfs/dbraw/zinc/56/98/08/774569808.db2.gz BXIDGHYDURYMHG-HNNXBMFYSA-N 2 0 307.438 0.865 20 30 DCEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC001219856670 774630178 /nfs/dbraw/zinc/63/01/78/774630178.db2.gz WUCXIZVERQQSJU-APIJFGDWSA-N 2 0 300.362 0.051 20 30 DCEDRP CC(C)(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1ccc(C#N)cc1 ZINC001219990052 774664002 /nfs/dbraw/zinc/66/40/02/774664002.db2.gz XZJINUPERBSLHO-ZDUSSCGKSA-N 2 0 306.435 0.929 20 30 DCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N(CC[NH3+])c1cccnc1 ZINC001220261158 774748444 /nfs/dbraw/zinc/74/84/44/774748444.db2.gz SKSACWYHKPRWFB-INIZCTEOSA-N 2 0 309.373 0.815 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H](O)C1 ZINC001220572713 774847984 /nfs/dbraw/zinc/84/79/84/774847984.db2.gz HTURHDBQORBWIG-OWCLPIDISA-N 2 0 309.454 0.537 20 30 DCEDRP C#CC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220607334 774864763 /nfs/dbraw/zinc/86/47/63/774864763.db2.gz KBAPKFOQQBQFQV-RYUDHWBXSA-N 2 0 310.195 0.916 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001202531773 774886138 /nfs/dbraw/zinc/88/61/38/774886138.db2.gz OJBKIOBEMAPHFY-HIFRSBDPSA-N 2 0 324.469 0.598 20 30 DCEDRP N#Cc1cnc(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)s1 ZINC001220872345 774941187 /nfs/dbraw/zinc/94/11/87/774941187.db2.gz VCUBXJASVSVOOB-LLVKDONJSA-N 2 0 305.407 0.505 20 30 DCEDRP COCC#CC[NH+]1CCC(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001224261753 775551331 /nfs/dbraw/zinc/55/13/31/775551331.db2.gz ZMNNZIKHTAXRRP-UHFFFAOYSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH+]1CCC(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001225168321 775652611 /nfs/dbraw/zinc/65/26/11/775652611.db2.gz UAWBHRNKVHESAP-QGZVFWFLSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001225428256 775678136 /nfs/dbraw/zinc/67/81/36/775678136.db2.gz ZBKCTWAGNXRTIF-MRXNPFEDSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001227065589 775920374 /nfs/dbraw/zinc/92/03/74/775920374.db2.gz IAOHILRUDMLWOF-HZPDHXFCSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001317955565 945222719 /nfs/dbraw/zinc/22/27/19/945222719.db2.gz SUUIYTLIMZPSGT-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001266883959 939265100 /nfs/dbraw/zinc/26/51/00/939265100.db2.gz IHJFEHGHAFCVJF-HOTGVXAUSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001267372319 939438221 /nfs/dbraw/zinc/43/82/21/939438221.db2.gz LSCYWAVAYKYUEK-CABCVRRESA-N 2 0 324.469 0.598 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267606527 939562650 /nfs/dbraw/zinc/56/26/50/939562650.db2.gz FQXPVMRKRWVNCI-SOUVJXGZSA-N 2 0 324.469 0.598 20 30 DCEDRP C#CCC[NH+]1CCN(CCN(C)C(=O)CC[N@@H+](C)CC)CC1 ZINC001481472264 939886874 /nfs/dbraw/zinc/88/68/74/939886874.db2.gz JEWRJIQPDVTCNE-UHFFFAOYSA-N 2 0 308.470 0.428 20 30 DCEDRP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001268116418 939950819 /nfs/dbraw/zinc/95/08/19/939950819.db2.gz NOYOUOLLTFWLNG-CVEARBPZSA-N 2 0 309.454 0.708 20 30 DCEDRP C=CCNC(=O)CN(C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001268749232 940350579 /nfs/dbraw/zinc/35/05/79/940350579.db2.gz SVFMTKFPNYALEL-CQSZACIVSA-N 2 0 324.469 0.457 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001270650338 940953543 /nfs/dbraw/zinc/95/35/43/940953543.db2.gz SPRJNTVDYCPIEF-KRWDZBQOSA-N 2 0 309.454 0.949 20 30 DCEDRP CC[C@H](C(=O)NCC1([NH2+]CC#CCOC)CCCC1)[NH+](C)C ZINC001270756764 940983226 /nfs/dbraw/zinc/98/32/26/940983226.db2.gz HZCWPOKNYKUTRJ-OAHLLOKOSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001270842227 941009264 /nfs/dbraw/zinc/00/92/64/941009264.db2.gz XAQJZKHNGWZBGO-QGZVFWFLSA-N 2 0 322.453 0.213 20 30 DCEDRP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001270847737 941010757 /nfs/dbraw/zinc/01/07/57/941010757.db2.gz QGUCJOCKKWWOBO-WMZOPIPTSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001271128648 941278062 /nfs/dbraw/zinc/27/80/62/941278062.db2.gz GPCJIOUTWBYCCR-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001482661134 941612702 /nfs/dbraw/zinc/61/27/02/941612702.db2.gz CMWGAYDCACAVBB-DLBZAZTESA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001484121988 943157114 /nfs/dbraw/zinc/15/71/14/943157114.db2.gz NGUYOXVEAYDSTB-WMZOPIPTSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001484234529 943235185 /nfs/dbraw/zinc/23/51/85/943235185.db2.gz CFTIUXSEXQXIHY-YQQAZPJKSA-N 2 0 307.438 0.293 20 30 DCEDRP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001484236465 943238963 /nfs/dbraw/zinc/23/89/63/943238963.db2.gz PNDRJVLDKSQBPJ-SJLPKXTDSA-N 2 0 321.465 0.685 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001491055038 943728343 /nfs/dbraw/zinc/72/83/43/943728343.db2.gz JQSMNCNJMNFXIX-FQUUOJAGSA-N 2 0 310.442 0.254 20 30 DCEDRP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001485644302 944062000 /nfs/dbraw/zinc/06/20/00/944062000.db2.gz OVRSYTYMQHOXAV-ZBFHGGJFSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CCN1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001276586232 944223763 /nfs/dbraw/zinc/22/37/63/944223763.db2.gz FMIMNROOVMSGOQ-OAGGEKHMSA-N 2 0 321.465 0.803 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001215473889 944275351 /nfs/dbraw/zinc/27/53/51/944275351.db2.gz ICYURLYGRKCMML-BZUAXINKSA-N 2 0 309.454 0.659 20 30 DCEDRP C=CCN1C[C@@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001272887465 944302276 /nfs/dbraw/zinc/30/22/76/944302276.db2.gz FHBINLDWKCQWOQ-KRWDZBQOSA-N 2 0 307.438 0.818 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001277142113 944679195 /nfs/dbraw/zinc/67/91/95/944679195.db2.gz VMYPQVASRIAYPW-KGLIPLIRSA-N 2 0 322.453 0.400 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]CCCO)C2CC2)CC1 ZINC001317033500 944750234 /nfs/dbraw/zinc/75/02/34/944750234.db2.gz HPWXFXSHKLWMAN-INIZCTEOSA-N 2 0 307.438 0.198 20 30 DCEDRP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001317178597 944838484 /nfs/dbraw/zinc/83/84/84/944838484.db2.gz CEAVEXZJYGBOGQ-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CN(CC)CCO1 ZINC001317198280 944846907 /nfs/dbraw/zinc/84/69/07/944846907.db2.gz FAXKXRCROQWRQR-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246311274 945381185 /nfs/dbraw/zinc/38/11/85/945381185.db2.gz LDEMYWLBATXUAC-KGLIPLIRSA-N 2 0 311.426 0.324 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001319102309 945498418 /nfs/dbraw/zinc/49/84/18/945498418.db2.gz SLOQPMUJFUEJFO-CQSZACIVSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CCO1 ZINC001273277669 946414456 /nfs/dbraw/zinc/41/44/56/946414456.db2.gz WWFNXVZRNMEZKL-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001278860562 946494681 /nfs/dbraw/zinc/49/46/81/946494681.db2.gz ZUNMCNDLOZDCGM-OAHLLOKOSA-N 2 0 307.438 0.247 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001278946082 946641858 /nfs/dbraw/zinc/64/18/58/946641858.db2.gz UISOIYDPVMJWOG-GJZGRUSLSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001323860420 947233099 /nfs/dbraw/zinc/23/30/99/947233099.db2.gz RKYBGAGBEZJSOW-QGZVFWFLSA-N 2 0 322.453 0.165 20 30 DCEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001325099477 947652192 /nfs/dbraw/zinc/65/21/92/947652192.db2.gz XMBUATKSYRIJGZ-SFHVURJKSA-N 2 0 321.465 0.827 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)CCN2CCOCC2)CC1 ZINC001273457681 947749979 /nfs/dbraw/zinc/74/99/79/947749979.db2.gz QTRQQYOPDRLJFT-INIZCTEOSA-N 2 0 307.438 0.703 20 30 DCEDRP COCC#CC[N@H+]1C[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001325740624 947906944 /nfs/dbraw/zinc/90/69/44/947906944.db2.gz NTJMNSCGIQNRCH-IYBDPMFKSA-N 2 0 319.449 0.511 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCN(CC)C(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001273546337 947953039 /nfs/dbraw/zinc/95/30/39/947953039.db2.gz MBITYOJYFZDGJG-HUUCEWRRSA-N 2 0 322.453 0.306 20 30 DCEDRP C#CCCN1CC2(C1)CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)O2 ZINC001327365415 948479474 /nfs/dbraw/zinc/47/94/74/948479474.db2.gz SNDLZGZNZMGIAK-HZPDHXFCSA-N 2 0 319.449 0.701 20 30 DCEDRP C=CCCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001327607557 948570912 /nfs/dbraw/zinc/57/09/12/948570912.db2.gz ORWYTSSJLSPAQD-RDJZCZTQSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001264077985 948866777 /nfs/dbraw/zinc/86/67/77/948866777.db2.gz AKHDGAPPDIUZFU-HNNXBMFYSA-N 2 0 307.438 0.247 20 30 DCEDRP CC#CC[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001328529114 948941929 /nfs/dbraw/zinc/94/19/29/948941929.db2.gz FZKWFTQCRLANSU-MRXNPFEDSA-N 2 0 321.465 0.826 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001264437826 948977418 /nfs/dbraw/zinc/97/74/18/948977418.db2.gz JSJNQBWJHXRFEQ-BZUAXINKSA-N 2 0 309.454 0.707 20 30 DCEDRP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H](C(C)C)[NH+](C)C)n1 ZINC001489078721 949472402 /nfs/dbraw/zinc/47/24/02/949472402.db2.gz KRISEEFQSDQERQ-OAHLLOKOSA-N 2 0 321.425 0.660 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001265509162 949736744 /nfs/dbraw/zinc/73/67/44/949736744.db2.gz UUSJJAXAWSGRLJ-IHRRRGAJSA-N 2 0 310.442 0.254 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001265571060 949774306 /nfs/dbraw/zinc/77/43/06/949774306.db2.gz BGJNLNGTXOIMGR-FPCVCCKLSA-N 2 0 307.438 0.746 20 30 DCEDRP CC[NH+]1CCN(CCC(=O)NC2(C#N)CC[NH+](C)CC2)CC1 ZINC001330337917 950286693 /nfs/dbraw/zinc/28/66/93/950286693.db2.gz MJQUJSPFUNIQIS-UHFFFAOYSA-N 2 0 307.442 0.118 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C2([S@@](C)=O)CC[NH2+]CC2)CC1 ZINC001330592712 950531680 /nfs/dbraw/zinc/53/16/80/950531680.db2.gz FGBSNBUFNOGAGS-OAQYLSRUSA-N 2 0 313.467 0.254 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001490775306 951097064 /nfs/dbraw/zinc/09/70/64/951097064.db2.gz ARYNDZYMUOJLFY-QGZVFWFLSA-N 2 0 321.465 0.902 20 30 DCEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001331786308 951318713 /nfs/dbraw/zinc/31/87/13/951318713.db2.gz BNUWKGPYIAYHPS-CZUORRHYSA-N 2 0 313.417 0.289 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCOCC)[C@@H](C)C2)CC1 ZINC001274300584 951549172 /nfs/dbraw/zinc/54/91/72/951549172.db2.gz XRTQYSVLLIEMJH-RDJZCZTQSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC1(C)C ZINC001332437237 951644754 /nfs/dbraw/zinc/64/47/54/951644754.db2.gz LKPIFNQLMWRGFB-CQSZACIVSA-N 2 0 324.469 0.457 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001332607320 951719100 /nfs/dbraw/zinc/71/91/00/951719100.db2.gz SDOXCTVXNDZRCQ-SJORKVTESA-N 2 0 323.481 0.929 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]CC#CCOC)C1 ZINC001274887921 951868261 /nfs/dbraw/zinc/86/82/61/951868261.db2.gz FARNXHXUONKHSO-HZPDHXFCSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001333267347 951979089 /nfs/dbraw/zinc/97/90/89/951979089.db2.gz LTYUPERSJIZYMO-CVEARBPZSA-N 2 0 309.454 0.805 20 30 DCEDRP CC#CC[NH2+]CC1CC(NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001275250129 952030397 /nfs/dbraw/zinc/03/03/97/952030397.db2.gz DMPMNIFNOSHSAQ-UHFFFAOYSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CCNC(=O)CC[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC001335459802 952539232 /nfs/dbraw/zinc/53/92/32/952539232.db2.gz XKDZFTNFZRBPFB-UHFFFAOYSA-N 2 0 307.438 0.607 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001340876880 953201284 /nfs/dbraw/zinc/20/12/84/953201284.db2.gz RJEJCKUROUISFO-HUUCEWRRSA-N 2 0 322.453 0.481 20 30 DCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001343474300 953348759 /nfs/dbraw/zinc/34/87/59/953348759.db2.gz UVAFAOIYIMDVIV-KKUMJFAQSA-N 2 0 308.426 0.455 20 30 DCEDRP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001281964027 953435103 /nfs/dbraw/zinc/43/51/03/953435103.db2.gz BKUWRHCDNTXUSW-HNNXBMFYSA-N 2 0 307.438 0.653 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001283721521 954558061 /nfs/dbraw/zinc/55/80/61/954558061.db2.gz IONSPIDGHIYEJO-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CC1(C)C ZINC001284336840 955018710 /nfs/dbraw/zinc/01/87/10/955018710.db2.gz WBKSYKWMIMTSHG-ZIAGYGMSSA-N 2 0 324.469 0.455 20 30 DCEDRP C=CCCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001284516795 955150969 /nfs/dbraw/zinc/15/09/69/955150969.db2.gz OPNYTPPLHIOFDD-OAHLLOKOSA-N 2 0 309.454 0.800 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001480109732 955486524 /nfs/dbraw/zinc/48/65/24/955486524.db2.gz NLCGILVAVZIKGB-HOTGVXAUSA-N 2 0 307.438 0.700 20 30 DCEDRP C=CC[C@]1(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CCC[NH2+]1 ZINC001354696619 956478488 /nfs/dbraw/zinc/47/84/88/956478488.db2.gz QDFLNXOBWGVSMH-WMLDXEAASA-N 2 0 307.438 0.960 20 30 DCEDRP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001316750453 960310445 /nfs/dbraw/zinc/31/04/45/960310445.db2.gz RXEYDNQTJHTCGO-HOTGVXAUSA-N 2 0 307.438 0.389 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#CCOC)[C@@H]1C ZINC001316797889 960378523 /nfs/dbraw/zinc/37/85/23/960378523.db2.gz SJONVAYEIJWVHJ-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)CC#CCOC)CC[N@@H+]1C ZINC001316824735 960397826 /nfs/dbraw/zinc/39/78/26/960397826.db2.gz XPLRDZWDANCSLX-JKSUJKDBSA-N 2 0 309.454 0.805 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001392380262 991844953 /nfs/dbraw/zinc/84/49/53/991844953.db2.gz ABZQBRRCNLJNMW-ZDUSSCGKSA-N 2 0 315.845 0.682 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001394746516 994100224 /nfs/dbraw/zinc/10/02/24/994100224.db2.gz WTJRNYZUZCFULV-ZDUSSCGKSA-N 2 0 315.845 0.776 20 30 DCEDRP CC#CC[NH2+][C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001502747532 1016053557 /nfs/dbraw/zinc/05/35/57/1016053557.db2.gz FBFBAWBLEWATIY-HOCLYGCPSA-N 2 0 307.438 0.557 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001422723351 1010530083 /nfs/dbraw/zinc/53/00/83/1010530083.db2.gz OPKCIVWIKOTRBY-LBPRGKRZSA-N 2 0 303.834 0.944 20 30 DCEDRP C#CCC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001479653008 1017631101 /nfs/dbraw/zinc/63/11/01/1017631101.db2.gz ZLMVFGKBQQWFFG-CVEARBPZSA-N 2 0 307.438 0.389 20 30 DCEDRP CC#CC[NH2+]CC[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001497189398 1017954854 /nfs/dbraw/zinc/95/48/54/1017954854.db2.gz WNFGASGIQXXSLQ-CQSZACIVSA-N 2 0 305.426 0.566 20 30 DCEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CC12CC[NH+](CC#CCOC)CC2 ZINC001479987283 1018093381 /nfs/dbraw/zinc/09/33/81/1018093381.db2.gz YBYFDHUMBNWLEK-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001480020464 1018132678 /nfs/dbraw/zinc/13/26/78/1018132678.db2.gz SKSSKJACOFIMRZ-DLBZAZTESA-N 2 0 321.465 0.993 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001480167151 1018273640 /nfs/dbraw/zinc/27/36/40/1018273640.db2.gz JQSMNCNJMNFXIX-SYQHCUMBSA-N 2 0 310.442 0.254 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001500550941 1018491495 /nfs/dbraw/zinc/49/14/95/1018491495.db2.gz SFYUOQZRGKZNEC-WMZOPIPTSA-N 2 0 321.465 0.806 20 30 DCEDRP C[C@@H](C[NH2+]Cc1ccccc1C#N)NC(=O)[C@H]1CN(C)CCO1 ZINC001498025444 1018590998 /nfs/dbraw/zinc/59/09/98/1018590998.db2.gz GYTGAZDXWBIRRT-XJKSGUPXSA-N 2 0 316.405 0.483 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001480678485 1018768407 /nfs/dbraw/zinc/76/84/07/1018768407.db2.gz YKKOKLGWFLTUDA-MRXNPFEDSA-N 2 0 309.454 0.806 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001493224505 1019221880 /nfs/dbraw/zinc/22/18/80/1019221880.db2.gz YQDYOHNBTXKDPP-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001496481769 1019346239 /nfs/dbraw/zinc/34/62/39/1019346239.db2.gz OXVVEZAQXGCWPI-HUUCEWRRSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001493719756 1019658310 /nfs/dbraw/zinc/65/83/10/1019658310.db2.gz HBXHQFPYGVQEDH-HNNXBMFYSA-N 2 0 324.469 0.601 20 30 DCEDRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=[NH2+])Nc1ccccn1 ZINC000264291166 238194412 /nfs/dbraw/zinc/19/44/12/238194412.db2.gz PWRYKKBDILTWBE-ZDUSSCGKSA-N 2 0 318.425 0.751 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000491726037 533148131 /nfs/dbraw/zinc/14/81/31/533148131.db2.gz IMYGRHLKEFAOPT-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000057137490 395939410 /nfs/dbraw/zinc/93/94/10/395939410.db2.gz FBVHLWNOYVDEFF-QGZVFWFLSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000073133493 396143342 /nfs/dbraw/zinc/14/33/42/396143342.db2.gz BZMFIENALDXXMZ-UHFFFAOYSA-N 2 0 307.438 0.559 20 30 DCEDRP CN(CCC#N)C[C@H](O)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000596068597 396714004 /nfs/dbraw/zinc/71/40/04/396714004.db2.gz ZHVHQKJEBMHWMJ-QGZVFWFLSA-N 2 0 308.470 0.904 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000343744014 415704982 /nfs/dbraw/zinc/70/49/82/415704982.db2.gz XEMMXJMKMVDJJS-HNNXBMFYSA-N 2 0 322.453 0.306 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000355130486 415851129 /nfs/dbraw/zinc/85/11/29/415851129.db2.gz JSUSFQRXNATVDJ-AWEZNQCLSA-N 2 0 320.437 0.106 20 30 DCEDRP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)C1=O ZINC000337177995 415922586 /nfs/dbraw/zinc/92/25/86/415922586.db2.gz KJAOFQZNAQSQAJ-JKSUJKDBSA-N 2 0 306.454 0.485 20 30 DCEDRP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1=O ZINC000337177992 415922777 /nfs/dbraw/zinc/92/27/77/415922777.db2.gz KJAOFQZNAQSQAJ-CVEARBPZSA-N 2 0 306.454 0.485 20 30 DCEDRP C=CCN1CC[C@@H](N(C)CC[N@H+](C)C2CCN(C)CC2)C1=O ZINC000337190542 415924395 /nfs/dbraw/zinc/92/43/95/415924395.db2.gz SPENTSMZSOPQJJ-MRXNPFEDSA-N 2 0 308.470 0.731 20 30 DCEDRP C[NH+]=C(NCCn1cc(C)cn1)NC1CC[NH+](C2CC2)CC1 ZINC000131445854 415930327 /nfs/dbraw/zinc/93/03/27/415930327.db2.gz ADEUJPCDUJENIN-UHFFFAOYSA-N 2 0 304.442 0.983 20 30 DCEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)C(C)C ZINC000417062935 416382009 /nfs/dbraw/zinc/38/20/09/416382009.db2.gz MYJWUBRLUXXDMY-CVEARBPZSA-N 2 0 324.469 0.973 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000419728280 416407232 /nfs/dbraw/zinc/40/72/32/416407232.db2.gz MPHNGHBXIHGLSV-KBPBESRZSA-N 2 0 322.453 0.352 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC([NH3+])(CC)CC)CC1 ZINC000419735676 416407589 /nfs/dbraw/zinc/40/75/89/416407589.db2.gz WEBNQEPCURBCFM-UHFFFAOYSA-N 2 0 310.442 0.387 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000491647020 416609698 /nfs/dbraw/zinc/60/96/98/416609698.db2.gz VXWDXZBADZTYBD-UHFFFAOYSA-N 2 0 316.405 0.464 20 30 DCEDRP C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000491773455 416627734 /nfs/dbraw/zinc/62/77/34/416627734.db2.gz BDSZSISCAIRJFA-INIZCTEOSA-N 2 0 320.481 0.616 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](n3cc(C)cn3)C2)CC1 ZINC000491806164 416629815 /nfs/dbraw/zinc/62/98/15/416629815.db2.gz QMFXMCNGCRVHIL-MRXNPFEDSA-N 2 0 315.421 0.216 20 30 DCEDRP C=CC[C@@]1(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCC[NH2+]1 ZINC000662705824 417860598 /nfs/dbraw/zinc/86/05/98/417860598.db2.gz RGGOZRRKYYGTIG-PBHICJAKSA-N 2 0 322.453 0.388 20 30 DCEDRP C=CC[C@]1(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCC[NH2+]1 ZINC000662705826 417861447 /nfs/dbraw/zinc/86/14/47/417861447.db2.gz RGGOZRRKYYGTIG-WMLDXEAASA-N 2 0 322.453 0.388 20 30 DCEDRP C(#CC[N@@H+]1CC[C@@H]2COC[C@@H]2C1)C[NH+]1CC[C@H]2COC[C@H]2C1 ZINC000662037509 418376929 /nfs/dbraw/zinc/37/69/29/418376929.db2.gz UGKWLIMLUIPMJO-FZDBZEDMSA-N 2 0 304.434 0.926 20 30 DCEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261870241 278168018 /nfs/dbraw/zinc/16/80/18/278168018.db2.gz VFRTVYUWGCIPMS-RBSFLKMASA-N 2 0 323.485 0.355 20 30 DCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)CCC[NH3+])C(C)C ZINC000565962487 341543787 /nfs/dbraw/zinc/54/37/87/341543787.db2.gz RALALGDMUAKEEZ-OAHLLOKOSA-N 2 0 324.469 0.608 20 30 DCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(C#N)n1 ZINC000577391902 341907706 /nfs/dbraw/zinc/90/77/06/341907706.db2.gz BHALRAGYFMMTAB-UHFFFAOYSA-N 2 0 304.398 0.910 20 30 DCEDRP C[NH+]=C(NCc1sc(C)nc1C)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000261907558 526415180 /nfs/dbraw/zinc/41/51/80/526415180.db2.gz HEKBGYROXBMFQR-CYBMUJFWSA-N 2 0 322.482 0.425 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000354711373 526419644 /nfs/dbraw/zinc/41/96/44/526419644.db2.gz OWHZYNSPFAXIAN-AWEZNQCLSA-N 2 0 308.426 0.011 20 30 DCEDRP C=C[C@](C)(O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000667680801 546637365 /nfs/dbraw/zinc/63/73/65/546637365.db2.gz RJTSNMRWEMCISR-KRWDZBQOSA-N 2 0 318.421 0.647 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001672043956 1175070670 /nfs/dbraw/zinc/07/06/70/1175070670.db2.gz DSHCJIRJXXJWNJ-QGZVFWFLSA-N 2 0 309.454 0.992 20 30 DCEDRP C#CCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000981209234 661103661 /nfs/dbraw/zinc/10/36/61/661103661.db2.gz FQLSJMFIVBWQBB-HZPDHXFCSA-N 2 0 305.422 0.407 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CCO)CC1 ZINC000969156555 657513193 /nfs/dbraw/zinc/51/31/93/657513193.db2.gz WPMREFVRTTYMOH-QGZVFWFLSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCOC3)C2)CC1 ZINC001023127815 657539807 /nfs/dbraw/zinc/53/98/07/657539807.db2.gz DXMLAEHYIIDTRG-OIISXLGYSA-N 2 0 319.449 0.605 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001023448910 657874663 /nfs/dbraw/zinc/87/46/63/657874663.db2.gz BEIZIOPLGNONCS-GJZGRUSLSA-N 2 0 300.406 0.907 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC000939291551 665545753 /nfs/dbraw/zinc/54/57/53/665545753.db2.gz FSEADAXYXOCZRU-UKRRQHHQSA-N 2 0 305.426 0.681 20 30 DCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971969492 658107042 /nfs/dbraw/zinc/10/70/42/658107042.db2.gz NWLIPYCFQFYHNG-GYMHETDLSA-N 2 0 303.406 0.016 20 30 DCEDRP C#CCN1CCOC2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000949472448 658291969 /nfs/dbraw/zinc/29/19/69/658291969.db2.gz FYFJILFAHRSQES-MRXNPFEDSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CCN(C(=O)NC[C@H](C[NH+](C)C)OCC)C1CC[NH+](C)CC1 ZINC000926849314 659463856 /nfs/dbraw/zinc/46/38/56/659463856.db2.gz BJIRJAHFFXZFTM-MRXNPFEDSA-N 2 0 324.469 0.692 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000909367608 659505419 /nfs/dbraw/zinc/50/54/19/659505419.db2.gz NCXDLXPPINXKHQ-OAHLLOKOSA-N 2 0 322.453 0.307 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2C[C@@H](C)O)CC1 ZINC001028333350 661462630 /nfs/dbraw/zinc/46/26/30/661462630.db2.gz IDMHBQLEYZVASH-ZBFHGGJFSA-N 2 0 307.438 0.293 20 30 DCEDRP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028699390 661766498 /nfs/dbraw/zinc/76/64/98/661766498.db2.gz XTHJCCFCBMQZGP-HCEZTOJASA-N 2 0 305.422 0.474 20 30 DCEDRP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N1CCSC(C)(C)C1 ZINC000261963941 661933991 /nfs/dbraw/zinc/93/39/91/661933991.db2.gz PPTSLWFIYIIVKE-ZDUSSCGKSA-N 2 0 313.515 0.635 20 30 DCEDRP C#CC[N@@H+](C)C1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000985434550 662444117 /nfs/dbraw/zinc/44/41/17/662444117.db2.gz BOQXYSHVQXTDDU-UHFFFAOYSA-N 2 0 317.437 0.614 20 30 DCEDRP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903490673 663457944 /nfs/dbraw/zinc/45/79/44/663457944.db2.gz COEICCKRLWNCRM-VBQJREDUSA-N 2 0 321.421 0.399 20 30 DCEDRP C=CCN1CC[C@@H](N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1=O ZINC000903506528 663458026 /nfs/dbraw/zinc/45/80/26/663458026.db2.gz AJTKOJBBUCLMBJ-IXDOHACOSA-N 2 0 318.465 0.674 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H](C)COC)CC1 ZINC001032800577 665968093 /nfs/dbraw/zinc/96/80/93/665968093.db2.gz OFRKUFUUPNRIGC-XIRDDKMYSA-N 2 0 319.449 0.652 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000911235831 664009007 /nfs/dbraw/zinc/00/90/07/664009007.db2.gz ITAVXYFFFDWSNQ-UONOGXRCSA-N 2 0 322.453 0.196 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000919636710 665225040 /nfs/dbraw/zinc/22/50/40/665225040.db2.gz YLJAPPLDDOEKLX-OAHLLOKOSA-N 2 0 308.426 0.104 20 30 DCEDRP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032530259 665312899 /nfs/dbraw/zinc/31/28/99/665312899.db2.gz IZDMGSYFFHWNGE-BFKWJSRZSA-N 2 0 317.433 0.711 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000941544990 666018151 /nfs/dbraw/zinc/01/81/51/666018151.db2.gz GRTGIEMHHDQCCV-UHFFFAOYSA-N 2 0 320.481 0.733 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001003334524 666296364 /nfs/dbraw/zinc/29/63/64/666296364.db2.gz WONIIQJMBTWNQV-GULBITTBSA-N 2 0 303.406 0.063 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033083968 666497345 /nfs/dbraw/zinc/49/73/45/666497345.db2.gz CYXTUTCBXXLDCM-CQSZACIVSA-N 2 0 305.426 0.777 20 30 DCEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490428 666731009 /nfs/dbraw/zinc/73/10/09/666731009.db2.gz SDJVRBIBHARDHB-HNNXBMFYSA-N 2 0 305.426 0.777 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1(C)C ZINC000996068463 666736666 /nfs/dbraw/zinc/73/66/66/666736666.db2.gz GVVGVDIKHSXJCE-QRHJNKNDSA-N 2 0 319.449 0.862 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]C[C@@H](C)O)C(C)(C)C2)CC1 ZINC000996674827 666855430 /nfs/dbraw/zinc/85/54/30/666855430.db2.gz WZYGQUIKMUEYJD-ZBFHGGJFSA-N 2 0 321.465 0.539 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CC[N@@H+]3CCCC[C@H]13)C2 ZINC000884195689 667495000 /nfs/dbraw/zinc/49/50/00/667495000.db2.gz WGZPQVAXNMHVGV-WCCAFZKYSA-N 2 0 302.422 0.869 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CC[N@@H+]3CCCC[C@@H]13)C2 ZINC000884195686 667495037 /nfs/dbraw/zinc/49/50/37/667495037.db2.gz WGZPQVAXNMHVGV-CLPSQLOGSA-N 2 0 302.422 0.869 20 30 DCEDRP C#CCOCCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000755832034 668067665 /nfs/dbraw/zinc/06/76/65/668067665.db2.gz KUSQRSHMTNUSCM-INIZCTEOSA-N 2 0 309.454 0.901 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000876775634 668508243 /nfs/dbraw/zinc/50/82/43/668508243.db2.gz CCJJMRJQDNGXEO-OLZOCXBDSA-N 2 0 301.818 0.637 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877144555 668567333 /nfs/dbraw/zinc/56/73/33/668567333.db2.gz PJCKQABMOSCKTR-MCIONIFRSA-N 3 0 316.877 0.654 20 30 DCEDRP C#CCC1([NH2+]CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CCC1 ZINC000933304236 669481537 /nfs/dbraw/zinc/48/15/37/669481537.db2.gz IVPPNODHJLIMOQ-INIZCTEOSA-N 2 0 321.465 0.995 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N[C@]1(C)CCN(C(=O)C(=C)C[NH+](C)C)C1 ZINC000854504151 670578789 /nfs/dbraw/zinc/57/87/89/670578789.db2.gz UOBQWDKQDXODMQ-QGZVFWFLSA-N 2 0 322.453 0.329 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000855403436 670704623 /nfs/dbraw/zinc/70/46/23/670704623.db2.gz NKULMRZNLONUNB-KRWDZBQOSA-N 2 0 317.433 0.987 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)CC1 ZINC000816750768 670857947 /nfs/dbraw/zinc/85/79/47/670857947.db2.gz RNSFVILNVZXJCK-IRXDYDNUSA-N 2 0 319.449 0.653 20 30 DCEDRP C#C[C@@H]1COCCN1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000820087048 671164375 /nfs/dbraw/zinc/16/43/75/671164375.db2.gz PJABJNNOGJOWSY-LSDHHAIUSA-N 2 0 310.442 0.302 20 30 DCEDRP [NH2+]=C(NCCCN1CCOCC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000303897698 685207922 /nfs/dbraw/zinc/20/79/22/685207922.db2.gz QUNCXYBRRQGRQD-CQSZACIVSA-N 2 0 309.458 0.097 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)N1CC[NH+](C)CC1 ZINC000303981583 685209939 /nfs/dbraw/zinc/20/99/39/685209939.db2.gz PHEXJGWILQSQKX-LSDHHAIUSA-N 3 0 310.490 0.011 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1([NH+](C)C)CCOCC1 ZINC000304762902 685211584 /nfs/dbraw/zinc/21/15/84/685211584.db2.gz WDZGZHVTABTHCR-CQSZACIVSA-N 3 0 311.474 0.486 20 30 DCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1CC ZINC001037970177 693976425 /nfs/dbraw/zinc/97/64/25/693976425.db2.gz MORAXNJFSRMKIR-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC000958224179 687455515 /nfs/dbraw/zinc/45/55/15/687455515.db2.gz TXKKTMNSIHXAKJ-GDBMZVCRSA-N 2 0 314.389 0.933 20 30 DCEDRP C=CC[N@H+]1C[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[C@H](O)C1 ZINC000958717407 687872119 /nfs/dbraw/zinc/87/21/19/687872119.db2.gz QIGQRDFATPXUDS-IAGOWNOFSA-N 2 0 317.433 0.957 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCC)C[C@@H]2O)CC1 ZINC000958724131 687876620 /nfs/dbraw/zinc/87/66/20/687876620.db2.gz LWUNNILNZWTRIG-CVEARBPZSA-N 2 0 307.438 0.151 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C)CC1 ZINC000968682939 690365383 /nfs/dbraw/zinc/36/53/83/690365383.db2.gz WKNANCZBGUFZNR-DOTOQJQBSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014709165 692077888 /nfs/dbraw/zinc/07/78/88/692077888.db2.gz AVTZBOTXLXGXKR-DOTOQJQBSA-N 2 0 319.449 0.844 20 30 DCEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001019779342 693586248 /nfs/dbraw/zinc/58/62/48/693586248.db2.gz WXBLDUCZDJQFHJ-OCCSQVGLSA-N 2 0 315.845 0.898 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]C[C@H]3CCOC3)C2)CC1 ZINC001019816331 693596523 /nfs/dbraw/zinc/59/65/23/693596523.db2.gz XHQDDFBAFGRQMN-WBVHZDCISA-N 2 0 319.449 0.559 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073861309 694793606 /nfs/dbraw/zinc/79/36/06/694793606.db2.gz BKFMJILQDMORHR-OAHLLOKOSA-N 2 0 305.422 0.313 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CC=C)CCCO2)CC1 ZINC001073898924 694798637 /nfs/dbraw/zinc/79/86/37/694798637.db2.gz GQBRUGWQNRXOAB-KRWDZBQOSA-N 2 0 319.449 0.725 20 30 DCEDRP CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001571443923 1162759043 /nfs/dbraw/zinc/75/90/43/1162759043.db2.gz BCQZAGIWMHIRBN-DLBZAZTESA-N 2 0 317.433 0.769 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001571546722 1162804075 /nfs/dbraw/zinc/80/40/75/1162804075.db2.gz SPVRSEUFZMOKNN-HZPDHXFCSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001571565853 1162811883 /nfs/dbraw/zinc/81/18/83/1162811883.db2.gz HGQZKWMFVDQJPD-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1(C)C ZINC001571563404 1162812574 /nfs/dbraw/zinc/81/25/74/1162812574.db2.gz JITWNDQLGUWGSH-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[N@@H+](CCNC(=O)[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001691236350 1157617832 /nfs/dbraw/zinc/61/78/32/1157617832.db2.gz AWRNATAWPHKSCZ-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001692038728 1157630297 /nfs/dbraw/zinc/63/02/97/1157630297.db2.gz ADBKQXOBSKLLLB-INIZCTEOSA-N 2 0 309.454 0.637 20 30 DCEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001691385795 1157658926 /nfs/dbraw/zinc/65/89/26/1157658926.db2.gz BFDSDNVKJWYHTP-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CCNC(=O)C[NH2+]C1(C)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001755131560 1157921674 /nfs/dbraw/zinc/92/16/74/1157921674.db2.gz MMZVKXIONALCJY-UHFFFAOYSA-N 2 0 322.453 0.048 20 30 DCEDRP Cn1c(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)ccc1[C@H]1CCCC[NH2+]1 ZINC001648979066 1158265695 /nfs/dbraw/zinc/26/56/95/1158265695.db2.gz GVIYHVVBHNEQJF-JHJVBQTASA-N 2 0 301.394 0.681 20 30 DCEDRP CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC#CCOC)C1)[NH+](C)C ZINC001691630148 1158407004 /nfs/dbraw/zinc/40/70/04/1158407004.db2.gz HFFCDZWACCGIQJ-XHSDSOJGSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001688553662 1158643970 /nfs/dbraw/zinc/64/39/70/1158643970.db2.gz ASQDMHBAIHGHIU-KGLIPLIRSA-N 2 0 305.426 0.564 20 30 DCEDRP C=C(C)CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001566648469 1159844330 /nfs/dbraw/zinc/84/43/30/1159844330.db2.gz MFXGXJHNVXVLHE-INIZCTEOSA-N 2 0 308.470 0.781 20 30 DCEDRP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001566033333 1159950384 /nfs/dbraw/zinc/95/03/84/1159950384.db2.gz SGXAZMICRUDSGT-OAHLLOKOSA-N 2 0 309.454 0.942 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCN2CC[NH+](C(C)C)CC2)CC1 ZINC001566654144 1160114794 /nfs/dbraw/zinc/11/47/94/1160114794.db2.gz JCNYMZQGGXCQDZ-UHFFFAOYSA-N 2 0 320.481 0.474 20 30 DCEDRP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001566792045 1160153748 /nfs/dbraw/zinc/15/37/48/1160153748.db2.gz WYRCAAITNKYSAK-JYJNAYRXSA-N 2 0 307.438 0.768 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001566860389 1160170227 /nfs/dbraw/zinc/17/02/27/1160170227.db2.gz YADJUPOYTRPPDA-BARDWOONSA-N 2 0 322.453 0.256 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]C[C@H](CC)OC)CC1 ZINC001567082721 1160232774 /nfs/dbraw/zinc/23/27/74/1160232774.db2.gz VEZULEJGNJALFG-HOCLYGCPSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]C[C@H](C)OC)CC1 ZINC001567241059 1160282446 /nfs/dbraw/zinc/28/24/46/1160282446.db2.gz SNFAOGZKAYAZQN-GJZGRUSLSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1=O ZINC001567496869 1160396602 /nfs/dbraw/zinc/39/66/02/1160396602.db2.gz AEUUVZZVFYMSFR-KFWWJZLASA-N 2 0 322.453 0.162 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]C[C@H]2CCCCO2)CC1 ZINC001567611453 1160440894 /nfs/dbraw/zinc/44/08/94/1160440894.db2.gz HLEATKVKALPDLX-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001567709244 1160460478 /nfs/dbraw/zinc/46/04/78/1160460478.db2.gz KBAAKOJIXDILIB-IAGOWNOFSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001567767376 1160473743 /nfs/dbraw/zinc/47/37/43/1160473743.db2.gz SVVOPLHNCRLOIV-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]C[C@H]2CCCOC2)CC1 ZINC001569099287 1160941945 /nfs/dbraw/zinc/94/19/45/1160941945.db2.gz XWFZEDUMIDEHND-JKSUJKDBSA-N 2 0 321.465 0.853 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001569423938 1161056474 /nfs/dbraw/zinc/05/64/74/1161056474.db2.gz LSIAKTBCRRTHEE-UHFFFAOYSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001569878231 1161293131 /nfs/dbraw/zinc/29/31/31/1161293131.db2.gz RGDDXHZSEXDOEX-OWCLPIDISA-N 2 0 305.422 0.121 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001570354571 1161579103 /nfs/dbraw/zinc/57/91/03/1161579103.db2.gz OGNSZQLYRIWKHC-DZGCQCFKSA-N 2 0 322.453 0.067 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC001574603841 1163735257 /nfs/dbraw/zinc/73/52/57/1163735257.db2.gz GAVPPSZXLPDMNX-QGZVFWFLSA-N 2 0 310.401 0.816 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC001574673707 1163739204 /nfs/dbraw/zinc/73/92/04/1163739204.db2.gz OTWDDQYDEGYIAB-OFQRWUPVSA-N 2 0 304.438 0.771 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC001597123789 1168000056 /nfs/dbraw/zinc/00/00/56/1168000056.db2.gz XYJZFZXHVBTJSN-UHFFFAOYSA-N 2 0 303.410 0.890 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001662780313 1174240865 /nfs/dbraw/zinc/24/08/65/1174240865.db2.gz XSDNKDZUBKUXFA-KGLIPLIRSA-N 2 0 310.442 0.257 20 30 DCEDRP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001663620902 1174334467 /nfs/dbraw/zinc/33/44/67/1174334467.db2.gz RRKXWULCTCLQDJ-HUUCEWRRSA-N 2 0 322.453 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DCEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001689010589 1176674145 /nfs/dbraw/zinc/67/41/45/1176674145.db2.gz PTMVMYLGDSZKMW-LSDHHAIUSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001689139309 1176706046 /nfs/dbraw/zinc/70/60/46/1176706046.db2.gz KKRCVAVOVTWPHK-UHFFFAOYSA-N 2 0 319.409 0.558 20 30 DCEDRP C=CC[NH+]1CCN(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001690080984 1177164499 /nfs/dbraw/zinc/16/44/99/1177164499.db2.gz RSVPLRUQJCWLDO-UHFFFAOYSA-N 2 0 308.470 0.782 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CCO)CC1 ZINC001690487338 1177253100 /nfs/dbraw/zinc/25/31/00/1177253100.db2.gz PRXKIQACOBYBMS-MRXNPFEDSA-N 2 0 307.438 0.295 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@@H](C)CNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001690584851 1177275558 /nfs/dbraw/zinc/27/55/58/1177275558.db2.gz UTWUJJRFOMSBOT-DZGCQCFKSA-N 2 0 322.453 0.352 20 30 DCEDRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]CC#CCOC)C1 ZINC001690614196 1177281896 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BRPLOTSXZJEDQL-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001713987780 1181186540 /nfs/dbraw/zinc/18/65/40/1181186540.db2.gz BBJOBSGECYEXGD-XHSDSOJGSA-N 2 0 307.438 0.747 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001714043853 1181222332 /nfs/dbraw/zinc/22/23/32/1181222332.db2.gz CPZMRQSDBKJGPT-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001714048201 1181224842 /nfs/dbraw/zinc/22/48/42/1181224842.db2.gz LKOBZJNJOSVYCG-HNNXBMFYSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001714125508 1181255271 /nfs/dbraw/zinc/25/52/71/1181255271.db2.gz XAEKGPSOXKEZBC-CABCVRRESA-N 2 0 322.453 0.095 20 30 DCEDRP C#CCNC(=O)C[NH2+]CC1(NC(=O)[C@@H](CC)[NH+](C)C)CCCC1 ZINC001714148426 1181263767 /nfs/dbraw/zinc/26/37/67/1181263767.db2.gz LZCPWVLNQUHUOB-CQSZACIVSA-N 2 0 322.453 0.095 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001714610773 1181439715 /nfs/dbraw/zinc/43/97/15/1181439715.db2.gz IMDCRYGPHIDPDX-MRXNPFEDSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CCCC1 ZINC001715310538 1181768090 /nfs/dbraw/zinc/76/80/90/1181768090.db2.gz ORDWYWWKWCKIQR-MRXNPFEDSA-N 2 0 321.465 0.997 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001715432942 1181812105 /nfs/dbraw/zinc/81/21/05/1181812105.db2.gz VQOOCUQMUSAPBY-CABCVRRESA-N 2 0 324.469 0.457 20 30 DCEDRP COCC#CC[N@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001715520785 1181838245 /nfs/dbraw/zinc/83/82/45/1181838245.db2.gz QHMUAZQMKITPCK-MRXNPFEDSA-N 2 0 309.454 0.901 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CNCc2cc(C)on2)CC1 ZINC001716424733 1182384580 /nfs/dbraw/zinc/38/45/80/1182384580.db2.gz RPPORXUHOUTVFY-CYBMUJFWSA-N 2 0 318.421 0.923 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001716449125 1182393926 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CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC#CCOC)C2)CC[N@@H+]1C ZINC001724152431 1184387938 /nfs/dbraw/zinc/38/79/38/1184387938.db2.gz CWPYQKDUJAJLSU-JZXOWHBKSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001724423169 1184438753 /nfs/dbraw/zinc/43/87/53/1184438753.db2.gz WUZYWWDBPNJNBT-IRXDYDNUSA-N 2 0 305.422 0.049 20 30 DCEDRP C=CCOCC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001724629642 1184481646 /nfs/dbraw/zinc/48/16/46/1184481646.db2.gz VMLHPEZDYYDQQP-YESZJQIVSA-N 2 0 321.465 0.921 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)CCO1 ZINC001724816383 1184571334 /nfs/dbraw/zinc/57/13/34/1184571334.db2.gz JROCATMGEZTHTJ-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001724962828 1184635716 /nfs/dbraw/zinc/63/57/16/1184635716.db2.gz ZKYWAMOAGKIRMA-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001725049102 1184668314 /nfs/dbraw/zinc/66/83/14/1184668314.db2.gz MNWCZESIQDESMI-MRXNPFEDSA-N 2 0 317.437 0.614 20 30 DCEDRP COCC#CC[N@H+](C)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001725170950 1184706537 /nfs/dbraw/zinc/70/65/37/1184706537.db2.gz MLWKLFVNAYTWHL-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H]1C ZINC001725577407 1184893539 /nfs/dbraw/zinc/89/35/39/1184893539.db2.gz ZZYWXNMHUPTIKN-ZIAGYGMSSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001725723080 1184973081 /nfs/dbraw/zinc/97/30/81/1184973081.db2.gz LOXGPWKBEWERCQ-KRWDZBQOSA-N 2 0 321.465 0.493 20 30 DCEDRP C=CCCC[NH+]1CCN(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001731369895 1185303256 /nfs/dbraw/zinc/30/32/56/1185303256.db2.gz VRYSVANUAVCLJM-UHFFFAOYSA-N 2 0 320.481 0.782 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001731694138 1185447173 /nfs/dbraw/zinc/44/71/73/1185447173.db2.gz IBJBEHUOTYQSCZ-LSDHHAIUSA-N 2 0 322.453 0.095 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001731860091 1185536202 /nfs/dbraw/zinc/53/62/02/1185536202.db2.gz IEFRHCBABBWBNX-JKSUJKDBSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001731973620 1185618414 /nfs/dbraw/zinc/61/84/14/1185618414.db2.gz GYRTVJGOGURLEO-HUUCEWRRSA-N 2 0 324.469 0.457 20 30 DCEDRP CC#CC[NH2+]C/C=C/CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001732846631 1186008668 /nfs/dbraw/zinc/00/86/68/1186008668.db2.gz BZGCRHNGSACQMX-VOTSOKGWSA-N 2 0 303.410 0.344 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001732959153 1186081365 /nfs/dbraw/zinc/08/13/65/1186081365.db2.gz YXPPHGKCNOKGDC-ZIAGYGMSSA-N 2 0 322.453 0.352 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001732983111 1186090809 /nfs/dbraw/zinc/09/08/09/1186090809.db2.gz FVCAAMXBQOWPQU-ZIAGYGMSSA-N 2 0 310.442 0.257 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001733146300 1186163071 /nfs/dbraw/zinc/16/30/71/1186163071.db2.gz HLYGUDYMWXCBOG-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2(O)C[NH+](C[C@@H](C)CC)C2)CC1 ZINC001733511888 1186319425 /nfs/dbraw/zinc/31/94/25/1186319425.db2.gz ZBKWFNUAALNEIV-HNNXBMFYSA-N 2 0 321.465 0.541 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCO1 ZINC001733743459 1186427925 /nfs/dbraw/zinc/42/79/25/1186427925.db2.gz NQMHQIWUUGLCEF-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH+]1CCC(CO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001733919192 1186497410 /nfs/dbraw/zinc/49/74/10/1186497410.db2.gz VXFDXWKMUWDHNS-HNNXBMFYSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001734125070 1186554157 /nfs/dbraw/zinc/55/41/57/1186554157.db2.gz DNKAJCQKKTWBRF-CABCVRRESA-N 2 0 307.438 0.415 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[NH2+]CCC2CC2)CC1 ZINC001734538203 1186682923 /nfs/dbraw/zinc/68/29/23/1186682923.db2.gz RGVMUDWLMZRKGF-QGZVFWFLSA-N 2 0 321.465 0.541 20 30 DCEDRP COCC#CC[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001734554051 1186689257 /nfs/dbraw/zinc/68/92/57/1186689257.db2.gz ANJBTBYIQSYOQP-MRXNPFEDSA-N 2 0 309.454 0.757 20 30 DCEDRP C#CC[N@@H+](CCCNC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001752283321 1188410806 /nfs/dbraw/zinc/41/08/06/1188410806.db2.gz ORZUJGQCENQEDT-UHFFFAOYSA-N 2 0 307.438 0.701 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC#CCOC)C2)CC[N@@H+]1C ZINC001752632256 1188429940 /nfs/dbraw/zinc/42/99/40/1188429940.db2.gz BNYBMXFCTWRCGU-YHUYYLMFSA-N 2 0 307.438 0.603 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001752633447 1188430811 /nfs/dbraw/zinc/43/08/11/1188430811.db2.gz VHSBMHWNRNTASA-KJWHEZOQSA-N 2 0 322.453 0.254 20 30 DCEDRP C=CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001752927092 1188463465 /nfs/dbraw/zinc/46/34/65/1188463465.db2.gz LKDUFGPHTFLSBT-CABCVRRESA-N 2 0 322.453 0.069 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001752943726 1188465821 /nfs/dbraw/zinc/46/58/21/1188465821.db2.gz OTOHEFONVGBEPO-LSDHHAIUSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]C[C@H](C)OC)C2)CC1 ZINC001752963248 1188468825 /nfs/dbraw/zinc/46/88/25/1188468825.db2.gz LKYDLRSBDHPXAW-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C(C)C ZINC001753427505 1188591992 /nfs/dbraw/zinc/59/19/92/1188591992.db2.gz KBTGDLWFEUTUIF-KKUMJFAQSA-N 2 0 322.453 0.302 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001753899498 1188674852 /nfs/dbraw/zinc/67/48/52/1188674852.db2.gz LGASHNNGDGUCSQ-NVXWUHKLSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001754455371 1188856607 /nfs/dbraw/zinc/85/66/07/1188856607.db2.gz POMIPJZGWNUBJS-KRWDZBQOSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001754528614 1188875202 /nfs/dbraw/zinc/87/52/02/1188875202.db2.gz OHWLQROTSXPKPW-UHFFFAOYSA-N 2 0 303.410 0.320 20 30 DCEDRP C#CCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CCCO)CC1 ZINC001754643442 1188896523 /nfs/dbraw/zinc/89/65/23/1188896523.db2.gz YHMFSRYWWZUTFL-UHFFFAOYSA-N 2 0 307.438 0.391 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCOCC1 ZINC001754737880 1188914522 /nfs/dbraw/zinc/91/45/22/1188914522.db2.gz WCTNWBDYQVQWQB-UHFFFAOYSA-N 2 0 305.422 0.503 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001754821837 1188942004 /nfs/dbraw/zinc/94/20/04/1188942004.db2.gz YPRSWQQYGRJCCT-CVEARBPZSA-N 2 0 309.454 0.662 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CCCOC)C2)CC1 ZINC001755121193 1189030084 /nfs/dbraw/zinc/03/00/84/1189030084.db2.gz FRYMNOFTCQBROD-WBVHZDCISA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCC[NH2+]CC1(O)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001755154527 1189038719 /nfs/dbraw/zinc/03/87/19/1189038719.db2.gz RUKLSTBNGMWVCZ-INIZCTEOSA-N 2 0 321.465 0.847 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001755155699 1189039524 /nfs/dbraw/zinc/03/95/24/1189039524.db2.gz FFLALYUQUWAWCV-HOTGVXAUSA-N 2 0 321.465 0.826 20 30 DCEDRP C=CCOCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001755432275 1189110289 /nfs/dbraw/zinc/11/02/89/1189110289.db2.gz SLILQTJCKMHACX-OSYLJGHBSA-N 2 0 321.465 0.825 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100618661 747462838 /nfs/dbraw/zinc/46/28/38/747462838.db2.gz SFPIWRPXIDDKSG-UHFFFAOYSA-N 2 0 310.442 0.115 20 30 DCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001077281160 750313961 /nfs/dbraw/zinc/31/39/61/750313961.db2.gz YBMYNWNVASRFCM-OWCLPIDISA-N 2 0 309.454 0.844 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127317067 751093428 /nfs/dbraw/zinc/09/34/28/751093428.db2.gz HPUZYVQSCSOSCD-CQSZACIVSA-N 2 0 324.469 0.647 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@H]2O)CC1 ZINC001078227217 753122766 /nfs/dbraw/zinc/12/27/66/753122766.db2.gz OLVSCRZPPAVGOW-IAGOWNOFSA-N 2 0 319.449 0.293 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001046063797 753457414 /nfs/dbraw/zinc/45/74/14/753457414.db2.gz XWJZLHPEQUQTGI-CVEARBPZSA-N 2 0 306.454 0.178 20 30 DCEDRP C=CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046081842 753470520 /nfs/dbraw/zinc/47/05/20/753470520.db2.gz KOGVNDFXZFBCKB-HOTGVXAUSA-N 2 0 306.454 0.343 20 30 DCEDRP C#CCC[N@@H+]1C[C@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049134655 755141150 /nfs/dbraw/zinc/14/11/50/755141150.db2.gz AVEMFNMOAKYYMD-IYBDPMFKSA-N 2 0 319.449 0.511 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](C[C@@H](C)O)C[C@@H]3C2)CC1 ZINC001049235129 755197071 /nfs/dbraw/zinc/19/70/71/755197071.db2.gz LFZVLPAOBHABPI-OIISXLGYSA-N 2 0 319.449 0.103 20 30 DCEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080161389 756117972 /nfs/dbraw/zinc/11/79/72/756117972.db2.gz ZUWZASKRZXMFLA-MYPHYYIGSA-N 2 0 319.449 0.862 20 30 DCEDRP C#CC[NH2+][C@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001054893584 756667654 /nfs/dbraw/zinc/66/76/54/756667654.db2.gz JHGUISXAZGQYEY-CJNGLKHVSA-N 2 0 309.373 0.951 20 30 DCEDRP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H](OC)C1 ZINC001082052989 756908440 /nfs/dbraw/zinc/90/84/40/756908440.db2.gz SHHCVOXOGHVMOX-GVDBMIGSSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090392174 757352759 /nfs/dbraw/zinc/35/27/59/757352759.db2.gz QRUNPAAPNXSZQH-LSDHHAIUSA-N 2 0 307.438 0.742 20 30 DCEDRP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091676717 767914302 /nfs/dbraw/zinc/91/43/02/767914302.db2.gz DTOCOTWRAICAAH-RYRKJORJSA-N 2 0 301.434 0.742 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)COCC[NH+](C)C)C2 ZINC001108800620 761055137 /nfs/dbraw/zinc/05/51/37/761055137.db2.gz IQENEYFHAPXHJE-JYJNAYRXSA-N 2 0 307.438 0.557 20 30 DCEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001070328289 761170841 /nfs/dbraw/zinc/17/08/41/761170841.db2.gz VFPQHRFZRILJAB-CABCVRRESA-N 2 0 318.425 0.292 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)C[N@@H+](C)CCC ZINC001148638390 768027573 /nfs/dbraw/zinc/02/75/73/768027573.db2.gz GQIXOZYAOLFTSA-UHFFFAOYSA-N 2 0 312.458 0.459 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100140711 761685485 /nfs/dbraw/zinc/68/54/85/761685485.db2.gz AJBUQNTUGHRQSB-SJORKVTESA-N 2 0 321.465 0.827 20 30 DCEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001090437198 761693125 /nfs/dbraw/zinc/69/31/25/761693125.db2.gz ZLVVMWWLKXDAGW-CVEARBPZSA-N 2 0 312.373 0.523 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129421661 762933474 /nfs/dbraw/zinc/93/34/74/762933474.db2.gz BKWWVCHIGAABIM-CABCVRRESA-N 2 0 324.469 0.646 20 30 DCEDRP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099880056 763096442 /nfs/dbraw/zinc/09/64/42/763096442.db2.gz URGORNUFDKUORS-CVEARBPZSA-N 2 0 309.454 0.988 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130421798 763295036 /nfs/dbraw/zinc/29/50/36/763295036.db2.gz JRQDGWZLFHQFBG-UHFFFAOYSA-N 2 0 324.469 0.623 20 30 DCEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519262 763842975 /nfs/dbraw/zinc/84/29/75/763842975.db2.gz BVECTRALDZDOCU-BOLLXYOYSA-N 2 0 307.438 0.910 20 30 DCEDRP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)c1nccn12 ZINC001101641733 764216546 /nfs/dbraw/zinc/21/65/46/764216546.db2.gz YSIPHZVLPYXPMC-AWEZNQCLSA-N 2 0 317.437 0.983 20 30 DCEDRP COCC#CCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001132426153 764452766 /nfs/dbraw/zinc/45/27/66/764452766.db2.gz SMIVBXSRYJIPSR-HOTGVXAUSA-N 2 0 319.449 0.701 20 30 DCEDRP C#CCC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001098479193 764492578 /nfs/dbraw/zinc/49/25/78/764492578.db2.gz WRMYISIEEAGHKM-WBVHZDCISA-N 2 0 321.465 0.493 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312545 764591787 /nfs/dbraw/zinc/59/17/87/764591787.db2.gz CGMTYPCHOKCDIU-NVXWUHKLSA-N 2 0 321.465 0.662 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001132743112 764620399 /nfs/dbraw/zinc/62/03/99/764620399.db2.gz UVTBAVRIJHPHGO-HUUCEWRRSA-N 2 0 324.469 0.505 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C ZINC001133091287 764821479 /nfs/dbraw/zinc/82/14/79/764821479.db2.gz QBTJPMNXSFGPQI-CVEARBPZSA-N 2 0 309.454 0.662 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133870600 765185568 /nfs/dbraw/zinc/18/55/68/765185568.db2.gz UUDVVBDASLFBNI-LSDHHAIUSA-N 2 0 324.469 0.315 20 30 DCEDRP C=CCOCC[NH2+]CCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134020893 765289610 /nfs/dbraw/zinc/28/96/10/765289610.db2.gz JSFHQJLIQZBDNL-OAHLLOKOSA-N 2 0 313.442 0.396 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134759312 765658102 /nfs/dbraw/zinc/65/81/02/765658102.db2.gz LTOCQWQOEMKEDH-GJZGRUSLSA-N 2 0 324.469 0.647 20 30 DCEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001115245475 765660608 /nfs/dbraw/zinc/66/06/08/765660608.db2.gz RQDULRYFKUHQLP-CAOSSQGBSA-N 2 0 307.438 0.577 20 30 DCEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001092614696 768360178 /nfs/dbraw/zinc/36/01/78/768360178.db2.gz PTLGHKKTRSTKNV-HUUCEWRRSA-N 2 0 319.453 0.928 20 30 DCEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cnc2C)[C@H](O)C1 ZINC001090765846 766568238 /nfs/dbraw/zinc/56/82/38/766568238.db2.gz YPSYAKCGTFTVSX-UKRRQHHQSA-N 2 0 306.410 0.778 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC=C)C[C@H]2O)CC1 ZINC001090829481 766647034 /nfs/dbraw/zinc/64/70/34/766647034.db2.gz BTDBIKVFSXDSOS-JKSUJKDBSA-N 2 0 305.422 0.069 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCC)C[C@@H]2O)CC1 ZINC001090831949 766649339 /nfs/dbraw/zinc/64/93/39/766649339.db2.gz XNEVZTIKSPOTCD-SJORKVTESA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=C)C)C[C@H]2O)CC1 ZINC001090832008 766649629 /nfs/dbraw/zinc/64/96/29/766649629.db2.gz XSDXRKYAUMIYRF-IAGOWNOFSA-N 2 0 319.449 0.459 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171161578 766862474 /nfs/dbraw/zinc/86/24/74/766862474.db2.gz ORZKVCKLUYCACX-LSDHHAIUSA-N 2 0 324.469 0.505 20 30 DCEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001091151235 766961170 /nfs/dbraw/zinc/96/11/70/766961170.db2.gz RXLOYOHLIOZGJA-KUNBBXKYSA-N 2 0 319.449 0.910 20 30 DCEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001091151236 766961856 /nfs/dbraw/zinc/96/18/56/766961856.db2.gz RXLOYOHLIOZGJA-QFQXCOSMSA-N 2 0 319.449 0.910 20 30 DCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC#C)CC2)[C@H](C)C1 ZINC001093223140 768501169 /nfs/dbraw/zinc/50/11/69/768501169.db2.gz UIBLEXGDCOYBAR-NVXWUHKLSA-N 2 0 301.434 0.649 20 30 DCEDRP Cc1cc(=[NH+]CCNC(=O)C[NH+]2CCC(C)CC2)c(C#N)c[nH]1 ZINC001093826235 768738571 /nfs/dbraw/zinc/73/85/71/768738571.db2.gz QLLWCQPCEUZGDH-UHFFFAOYSA-N 2 0 315.421 0.944 20 30 DCEDRP N#Cc1cc(Cl)ccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869183 769953993 /nfs/dbraw/zinc/95/39/93/769953993.db2.gz BWKWHQISRPMFJI-UHFFFAOYSA-N 2 0 321.856 0.796 20 30 DCEDRP N#Cc1cccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1F ZINC001235876415 769958552 /nfs/dbraw/zinc/95/85/52/769958552.db2.gz YIUOZILRPRLGPU-UHFFFAOYSA-N 2 0 305.401 0.282 20 30 DCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001154012773 770040307 /nfs/dbraw/zinc/04/03/07/770040307.db2.gz OBYPXUJVUWPJES-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176999437 770287122 /nfs/dbraw/zinc/28/71/22/770287122.db2.gz WDFOZFKAFLRIOV-MRXNPFEDSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC12CCOCC2 ZINC001186552714 772059910 /nfs/dbraw/zinc/05/99/10/772059910.db2.gz KUSOCBKSDOLKJR-CVEARBPZSA-N 2 0 321.465 0.969 20 30 DCEDRP C[NH+]1CCC(C#N)(Nc2ccc(N3CC[NH2+]CC3)cn2)CC1 ZINC001162231458 772345222 /nfs/dbraw/zinc/34/52/22/772345222.db2.gz KHWPNJPMBFIJMW-UHFFFAOYSA-N 2 0 300.410 0.891 20 30 DCEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001164596508 772686857 /nfs/dbraw/zinc/68/68/57/772686857.db2.gz LZQBHSORMPREKU-CABCVRRESA-N 2 0 307.438 0.912 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001166852390 772870808 /nfs/dbraw/zinc/87/08/08/772870808.db2.gz QHCNYKUXJJUJKM-HNNXBMFYSA-N 2 0 324.469 0.623 20 30 DCEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001192788894 772959366 /nfs/dbraw/zinc/95/93/66/772959366.db2.gz QGEXPUJVYQXXHG-INIZCTEOSA-N 2 0 317.437 0.614 20 30 DCEDRP C#CC[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205510712 772997136 /nfs/dbraw/zinc/99/71/36/772997136.db2.gz CVIADZNQORTJJE-JKSUJKDBSA-N 2 0 319.449 0.511 20 30 DCEDRP COCC#CC[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001206872495 773116577 /nfs/dbraw/zinc/11/65/77/773116577.db2.gz GYRMQLVVWZKVSH-QGZVFWFLSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[NH2+]C[C@@H](C)O)CC2)CC1 ZINC001206949255 773145697 /nfs/dbraw/zinc/14/56/97/773145697.db2.gz WQYRMXLQEHRPRZ-OAHLLOKOSA-N 2 0 321.465 0.541 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001209641308 773628762 /nfs/dbraw/zinc/62/87/62/773628762.db2.gz IJJSNXNYKGYSFR-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001209659528 773631598 /nfs/dbraw/zinc/63/15/98/773631598.db2.gz FVYAYXACNOSKAR-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001210060170 773672144 /nfs/dbraw/zinc/67/21/44/773672144.db2.gz CJYMTVHMQHPXAJ-INIZCTEOSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001210060830 773672164 /nfs/dbraw/zinc/67/21/64/773672164.db2.gz KBZGUQJMIYVVJD-INIZCTEOSA-N 2 0 317.437 0.662 20 30 DCEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826030 773813575 /nfs/dbraw/zinc/81/35/75/773813575.db2.gz MZRSEIIVUDDRPK-RBSFLKMASA-N 2 0 313.442 0.081 20 30 DCEDRP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001198038043 773848742 /nfs/dbraw/zinc/84/87/42/773848742.db2.gz HNOCGURHZUTMQN-HUUCEWRRSA-N 2 0 313.442 0.082 20 30 DCEDRP CN1CC[NH2+]C[C@H]1C(=O)Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC001218554425 774245612 /nfs/dbraw/zinc/24/56/12/774245612.db2.gz YVQZBJOVHRMYLP-NSHDSACASA-N 2 0 305.407 0.108 20 30 DCEDRP C#Cc1cnc(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c(C#C)n1 ZINC001218658002 774274682 /nfs/dbraw/zinc/27/46/82/774274682.db2.gz YEKAQCBRNIRYJI-CQSZACIVSA-N 2 0 309.373 0.252 20 30 DCEDRP N#Cc1c(F)ccc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1F ZINC001218914819 774326127 /nfs/dbraw/zinc/32/61/27/774326127.db2.gz JFIXBWJHFCEYHZ-LBPRGKRZSA-N 2 0 323.347 0.525 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCCO1 ZINC001200887176 774425265 /nfs/dbraw/zinc/42/52/65/774425265.db2.gz JCEFFUOMNFFSAF-INIZCTEOSA-N 2 0 319.449 0.845 20 30 DCEDRP COCC#CC[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001201149588 774454965 /nfs/dbraw/zinc/45/49/65/774454965.db2.gz CTOVVLCHYPLLOU-INIZCTEOSA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@@H](O)C1 ZINC001219746584 774596760 /nfs/dbraw/zinc/59/67/60/774596760.db2.gz WOSWMJICYDJQSN-PMPSAXMXSA-N 2 0 309.454 0.988 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCCO[C@H](C[NH2+]CC=C)C2)CC1 ZINC001202142447 774606022 /nfs/dbraw/zinc/60/60/22/774606022.db2.gz WGZMNGRMFQDLJQ-QGZVFWFLSA-N 2 0 319.449 0.725 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001202504645 774772445 /nfs/dbraw/zinc/77/24/45/774772445.db2.gz VEDNMIHCLOWSAK-UKRRQHHQSA-N 2 0 322.453 0.067 20 30 DCEDRP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220359275 774782255 /nfs/dbraw/zinc/78/22/55/774782255.db2.gz HMBMRSKNWJNOAU-CABCVRRESA-N 2 0 309.454 0.846 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC001114465504 774884682 /nfs/dbraw/zinc/88/46/82/774884682.db2.gz HUBGNSWXPCPYMA-QXSJWSMHSA-N 2 0 305.422 0.167 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001114795215 776134905 /nfs/dbraw/zinc/13/49/05/776134905.db2.gz YEGNMMOYISBAOX-FXUDXRNXSA-N 2 0 307.438 0.269 20 30 DCEDRP C=CCN1C[C@]2(CC1=O)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001273030129 945209672 /nfs/dbraw/zinc/20/96/72/945209672.db2.gz LPLJOAKLMPRVMQ-QGZVFWFLSA-N 2 0 307.438 0.723 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001266415387 939110845 /nfs/dbraw/zinc/11/08/45/939110845.db2.gz UPOUPHBBYWJIDR-HUUCEWRRSA-N 2 0 322.453 0.257 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001266525693 939151773 /nfs/dbraw/zinc/15/17/73/939151773.db2.gz LNYINDJOYBIINS-CABCVRRESA-N 2 0 322.453 0.211 20 30 DCEDRP C#CCC[NH+]1CCC[C@](CO)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001279490305 939220520 /nfs/dbraw/zinc/22/05/20/939220520.db2.gz LXXFVYKPFYSYIC-KRWDZBQOSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001266967468 939292886 /nfs/dbraw/zinc/29/28/86/939292886.db2.gz GDSSOLJFVUTSBS-OLZOCXBDSA-N 2 0 310.442 0.113 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)NC(C)C ZINC001267132672 939354178 /nfs/dbraw/zinc/35/41/78/939354178.db2.gz RBNRWTVENOVLHR-GJZGRUSLSA-N 2 0 322.453 0.093 20 30 DCEDRP C#CCN1C[C@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001273100978 945251868 /nfs/dbraw/zinc/25/18/68/945251868.db2.gz JSQCNHNKWCRHRY-GOSISDBHSA-N 2 0 319.449 0.655 20 30 DCEDRP C=CC[NH+]1CCN(CCN(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001267574308 939519929 /nfs/dbraw/zinc/51/99/29/939519929.db2.gz BXVYKAULTQQXCR-UHFFFAOYSA-N 2 0 308.470 0.590 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001481055349 939542547 /nfs/dbraw/zinc/54/25/47/939542547.db2.gz DJTNMXCLWURHLJ-KBPBESRZSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001267606057 939561661 /nfs/dbraw/zinc/56/16/61/939561661.db2.gz MHKNMYNXYMUABV-INIZCTEOSA-N 2 0 306.454 0.180 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001481127004 939575274 /nfs/dbraw/zinc/57/52/74/939575274.db2.gz OKZLLOFACMSWDQ-LSDHHAIUSA-N 2 0 324.469 0.455 20 30 DCEDRP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267668794 939619147 /nfs/dbraw/zinc/61/91/47/939619147.db2.gz CEMNZUYYSNNPKX-LSDHHAIUSA-N 2 0 322.453 0.163 20 30 DCEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001267699095 939630647 /nfs/dbraw/zinc/63/06/47/939630647.db2.gz MEHMWJVKGUTQDP-HNNXBMFYSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CCC[C@H](C)O)CC1 ZINC001481319753 939745997 /nfs/dbraw/zinc/74/59/97/939745997.db2.gz MOAJBXMMKFLKAI-HNNXBMFYSA-N 2 0 309.454 0.541 20 30 DCEDRP COCC#CCN1CC(CNC(=O)CCCn2ccnc2C)C1 ZINC001318162063 945279207 /nfs/dbraw/zinc/27/92/07/945279207.db2.gz WHSXOHGYSXURMS-UHFFFAOYSA-N 2 0 318.421 0.670 20 30 DCEDRP CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC#CCOC)C1)[NH+](C)C ZINC001481489842 939900557 /nfs/dbraw/zinc/90/05/57/939900557.db2.gz ZZSBPMYTNOATEE-JKSUJKDBSA-N 2 0 309.454 0.757 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001268068350 939922786 /nfs/dbraw/zinc/92/27/86/939922786.db2.gz LJPKWOGCHMMSMX-KGLIPLIRSA-N 2 0 324.469 0.598 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001268072937 939924990 /nfs/dbraw/zinc/92/49/90/939924990.db2.gz RPYWAEMTQYVXBO-CQSZACIVSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001268307533 940046537 /nfs/dbraw/zinc/04/65/37/940046537.db2.gz HGGNUZSSEBZNGC-CVEARBPZSA-N 2 0 307.438 0.483 20 30 DCEDRP C=CCN1CC[C@H](N2CC[C@@H](NC(=O)C[N@@H+](C)CCC)C2)C1=O ZINC001481708451 940064910 /nfs/dbraw/zinc/06/49/10/940064910.db2.gz SDGRYQOSABLFLY-CABCVRRESA-N 2 0 322.453 0.306 20 30 DCEDRP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001268364133 940081954 /nfs/dbraw/zinc/08/19/54/940081954.db2.gz BELNJBOGABJHQA-LSDHHAIUSA-N 2 0 322.453 0.093 20 30 DCEDRP N#C[C@]1(NC[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)CC[NH2+]C1 ZINC001245980126 945305969 /nfs/dbraw/zinc/30/59/69/945305969.db2.gz GTDAZSKJJINXNF-RRFJBIMHSA-N 2 0 310.348 0.041 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC[C@H](C)O)C2)CC1 ZINC001269200540 940645228 /nfs/dbraw/zinc/64/52/28/940645228.db2.gz XZLIHTFXKFUDBZ-DOTOQJQBSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001270150378 940845777 /nfs/dbraw/zinc/84/57/77/940845777.db2.gz JBAKKHFFQKKNTL-OAHLLOKOSA-N 2 0 303.410 0.272 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001270436683 940901036 /nfs/dbraw/zinc/90/10/36/940901036.db2.gz QUFPJDROAWVNAD-KGLIPLIRSA-N 2 0 310.442 0.115 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N(C)CCN(C)Cc1ocnc1C ZINC001482603615 941582890 /nfs/dbraw/zinc/58/28/90/941582890.db2.gz LYMNLSMKUIUYFN-HNNXBMFYSA-N 2 0 318.421 0.971 20 30 DCEDRP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001482740704 941652176 /nfs/dbraw/zinc/65/21/76/941652176.db2.gz CBNFQAUVCJQPDJ-HZPDHXFCSA-N 2 0 318.421 0.465 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC#CCOC ZINC001496908224 942328712 /nfs/dbraw/zinc/32/87/12/942328712.db2.gz LZTWMPYKXQCACG-CVEARBPZSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1=O ZINC001127066288 942424097 /nfs/dbraw/zinc/42/40/97/942424097.db2.gz LENQKCYVRAHGMF-LSDHHAIUSA-N 2 0 322.453 0.352 20 30 DCEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001272381140 942725929 /nfs/dbraw/zinc/72/59/29/942725929.db2.gz QJQVSERFKXAXGB-IRXDYDNUSA-N 2 0 315.417 0.199 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCOCC1 ZINC001484181510 943176143 /nfs/dbraw/zinc/17/61/43/943176143.db2.gz DJGRAGPNURMMFE-JKSUJKDBSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCOCC1 ZINC001484190201 943184970 /nfs/dbraw/zinc/18/49/70/943184970.db2.gz GXFPXXGPSGKENN-HZPDHXFCSA-N 2 0 321.465 0.995 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001484489683 943422003 /nfs/dbraw/zinc/42/20/03/943422003.db2.gz ZKYPLLSBYLIAOS-UHFFFAOYSA-N 2 0 323.481 0.932 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@](CO)([NH2+]CCC)C2)CC1 ZINC001484854112 943600952 /nfs/dbraw/zinc/60/09/52/943600952.db2.gz CJBDMLHCFVEDQF-GOSISDBHSA-N 2 0 321.465 0.685 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001484857524 943603393 /nfs/dbraw/zinc/60/33/93/943603393.db2.gz YNLHASQYWGTIMV-QGZVFWFLSA-N 2 0 305.422 0.049 20 30 DCEDRP CC#CCN1CCO[C@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001485559226 943992781 /nfs/dbraw/zinc/99/27/81/943992781.db2.gz WICSINZSXOIYHS-QGZVFWFLSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@H]([C@@H](C)[NH2+]CC=C)C2)CC1 ZINC001485650151 944054413 /nfs/dbraw/zinc/05/44/13/944054413.db2.gz JPFSAOVPUBGRFE-WBVHZDCISA-N 2 0 319.449 0.723 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001485644141 944061628 /nfs/dbraw/zinc/06/16/28/944061628.db2.gz OHPONEFKIYZYFU-GOEBONIOSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC001276778490 944296240 /nfs/dbraw/zinc/29/62/40/944296240.db2.gz MSKYUGWEPKPOPV-CVEARBPZSA-N 2 0 319.449 0.701 20 30 DCEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001485997796 944472014 /nfs/dbraw/zinc/47/20/14/944472014.db2.gz RQYKHODUADNXSK-JKSUJKDBSA-N 2 0 321.465 0.731 20 30 DCEDRP C#CCCC[N@@H+]1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001276978695 944615144 /nfs/dbraw/zinc/61/51/44/944615144.db2.gz PUFAQXSWVAKIHK-LSDHHAIUSA-N 2 0 318.421 0.297 20 30 DCEDRP C#CC[NH2+][C@@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC001317020186 944741972 /nfs/dbraw/zinc/74/19/72/944741972.db2.gz VDKSRKULFNGTRR-HNNXBMFYSA-N 2 0 307.438 0.462 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001317119040 944806825 /nfs/dbraw/zinc/80/68/25/944806825.db2.gz GQQJKMFCFOOPRP-APIJFGDWSA-N 2 0 324.469 0.500 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001317119041 944806847 /nfs/dbraw/zinc/80/68/47/944806847.db2.gz GQQJKMFCFOOPRP-BYNSBNAKSA-N 2 0 324.469 0.500 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[N@H+](C)CC(=C)C)CC1 ZINC001486359249 944821524 /nfs/dbraw/zinc/82/15/24/944821524.db2.gz SODZHIDZSUBUDT-QGZVFWFLSA-N 2 0 321.465 0.659 20 30 DCEDRP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001317178590 944838571 /nfs/dbraw/zinc/83/85/71/944838571.db2.gz CEAVEXZJYGBOGQ-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001317260727 944883753 /nfs/dbraw/zinc/88/37/53/944883753.db2.gz VKBWJNILVFDDKY-UONOGXRCSA-N 2 0 322.453 0.400 20 30 DCEDRP C=CCCC[N@@H+]1C[C@@H]2C(C(=O)NC3CC[NH+](C)CC3)=NO[C@@H]2C1 ZINC001277779699 944974968 /nfs/dbraw/zinc/97/49/68/944974968.db2.gz ORKLSLDFOZEHKI-LSDHHAIUSA-N 2 0 320.437 0.850 20 30 DCEDRP C=CCOCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001277818582 944992847 /nfs/dbraw/zinc/99/28/47/944992847.db2.gz BDQHLOYSANFJOE-GOEBONIOSA-N 2 0 309.454 0.967 20 30 DCEDRP COCC#CC[NH2+]CC[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001318854909 945454262 /nfs/dbraw/zinc/45/42/62/945454262.db2.gz OSNNCZRJXJLXFM-QGZVFWFLSA-N 2 0 321.465 0.950 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)CCC[C@H](C)O)CC1 ZINC001320090633 945738908 /nfs/dbraw/zinc/73/89/08/945738908.db2.gz NPBMHYSPFRUFGY-INIZCTEOSA-N 2 0 323.481 0.883 20 30 DCEDRP COCC#CC[NH2+]CC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001320642759 945961416 /nfs/dbraw/zinc/96/14/16/945961416.db2.gz ADNCRIPJJAGISQ-INIZCTEOSA-N 2 0 309.454 0.997 20 30 DCEDRP C=C[C@](C)(O)C[NH2+]CC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001252580794 945968635 /nfs/dbraw/zinc/96/86/35/945968635.db2.gz UCBYALSHSAFZIF-KRWDZBQOSA-N 2 0 309.454 0.990 20 30 DCEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001278777358 946362180 /nfs/dbraw/zinc/36/21/80/946362180.db2.gz YRNBONUBCHVTQP-WBVHZDCISA-N 2 0 307.438 0.436 20 30 DCEDRP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001278860219 946490857 /nfs/dbraw/zinc/49/08/57/946490857.db2.gz RECYCJMNUKYXPJ-IRXDYDNUSA-N 2 0 321.465 0.778 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001323472248 947096201 /nfs/dbraw/zinc/09/62/01/947096201.db2.gz KWFOIPMNJKBYCC-CYBMUJFWSA-N 2 0 308.426 0.011 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H]2COCCN2C2CCCC2)CC1 ZINC001323519486 947113548 /nfs/dbraw/zinc/11/35/48/947113548.db2.gz NYTTWFZAAKRTCW-INIZCTEOSA-N 2 0 319.449 0.892 20 30 DCEDRP C#CC[N@@H+](CCOC)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001323747074 947188901 /nfs/dbraw/zinc/18/89/01/947188901.db2.gz WZKDXPBHOJDIKX-MRXNPFEDSA-N 2 0 309.454 0.899 20 30 DCEDRP C#CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCCO)CC1 ZINC001324432433 947425876 /nfs/dbraw/zinc/42/58/76/947425876.db2.gz VHVRXRRZMCXUGB-INIZCTEOSA-N 2 0 321.465 0.637 20 30 DCEDRP C=CCN1CC[C@]2(CC[N@@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001273728448 948050789 /nfs/dbraw/zinc/05/07/89/948050789.db2.gz NWMMDVDMMYSGNE-SFHVURJKSA-N 2 0 320.481 0.734 20 30 DCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC001326770016 948271624 /nfs/dbraw/zinc/27/16/24/948271624.db2.gz JASGIHAWKNOMCO-HNNXBMFYSA-N 2 0 308.426 0.578 20 30 DCEDRP CN1CCC([NH+]2CCC(NC(=O)[C@@H]([NH3+])CCCC#N)CC2)CC1 ZINC001326782737 948277074 /nfs/dbraw/zinc/27/70/74/948277074.db2.gz AFRXKTTYBVFHLF-INIZCTEOSA-N 2 0 321.469 0.682 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001326912840 948327493 /nfs/dbraw/zinc/32/74/93/948327493.db2.gz ABRVANNLORJGKO-OAHLLOKOSA-N 2 0 307.438 0.607 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001327569458 948555982 /nfs/dbraw/zinc/55/59/82/948555982.db2.gz OMWWJMWELKQVMR-MRXNPFEDSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001327577226 948558103 /nfs/dbraw/zinc/55/81/03/948558103.db2.gz LLPFYQLDSFOSEF-NVXWUHKLSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001327898641 948655736 /nfs/dbraw/zinc/65/57/36/948655736.db2.gz CQGNOVHGMVTTHY-CVEARBPZSA-N 2 0 321.465 0.947 20 30 DCEDRP C=C(C)C[NH2+]CC1(O)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001328173089 948731361 /nfs/dbraw/zinc/73/13/61/948731361.db2.gz YWPCLBJVOHUDBR-UHFFFAOYSA-N 2 0 309.454 0.990 20 30 DCEDRP C=C(C)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H](CC)[NH+](C)C)n1 ZINC001264027064 948840486 /nfs/dbraw/zinc/84/04/86/948840486.db2.gz UNGCHAPSBRRVDX-CYBMUJFWSA-N 2 0 321.425 0.804 20 30 DCEDRP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001264079888 948870908 /nfs/dbraw/zinc/87/09/08/948870908.db2.gz AUVGDJAZIYCNFP-INIZCTEOSA-N 2 0 319.449 0.391 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001264437827 948977615 /nfs/dbraw/zinc/97/76/15/948977615.db2.gz JSJNQBWJHXRFEQ-JYJNAYRXSA-N 2 0 309.454 0.707 20 30 DCEDRP C#CCNC(=O)[C@H](C)[N@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001265104489 949307426 /nfs/dbraw/zinc/30/74/26/949307426.db2.gz UOSNDIYLABHOOZ-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)[C@H]2C)C1=O ZINC001489288544 949667389 /nfs/dbraw/zinc/66/73/89/949667389.db2.gz HEOKSTVSRHESDR-ILXRZTDVSA-N 2 0 322.453 0.304 20 30 DCEDRP C#CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001330429124 950387778 /nfs/dbraw/zinc/38/77/78/950387778.db2.gz ZGSJUJGAYMXACH-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001490233309 950439817 /nfs/dbraw/zinc/43/98/17/950439817.db2.gz MAUJTSTVBGJQIN-ZIAGYGMSSA-N 2 0 310.442 0.209 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001331286795 951057739 /nfs/dbraw/zinc/05/77/39/951057739.db2.gz ADBNXRARNUYRRF-INIZCTEOSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001274255138 951516420 /nfs/dbraw/zinc/51/64/20/951516420.db2.gz YPNSVULQMPBZSR-PLNGDYQASA-N 2 0 307.438 0.773 20 30 DCEDRP C#CCC[NH2+]C1(C)CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001281530200 951530738 /nfs/dbraw/zinc/53/07/38/951530738.db2.gz HYBNGUNVNVYWCO-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001281637834 951571390 /nfs/dbraw/zinc/57/13/90/951571390.db2.gz YUOHDOWQLFFQHB-HNNXBMFYSA-N 2 0 307.438 0.295 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC#CCOC)C(C)(C)C1 ZINC001332437876 951647840 /nfs/dbraw/zinc/64/78/40/951647840.db2.gz OAPKISXGUYQPOV-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001332518036 951676937 /nfs/dbraw/zinc/67/69/37/951676937.db2.gz OPOYWTFXMUXWCW-ZDUSSCGKSA-N 2 0 309.435 0.465 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001274572268 951706886 /nfs/dbraw/zinc/70/68/86/951706886.db2.gz JTKDXHXWJSONJF-UHFFFAOYSA-N 2 0 309.454 0.685 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)C1=O ZINC001275273346 952041882 /nfs/dbraw/zinc/04/18/82/952041882.db2.gz BXRXKIPUXIAKKR-KKUMJFAQSA-N 2 0 322.453 0.352 20 30 DCEDRP C=CCNC(=O)CN(C)[C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001275929007 952533892 /nfs/dbraw/zinc/53/38/92/952533892.db2.gz WHGMWHDSZRVQIR-KGLIPLIRSA-N 2 0 310.442 0.067 20 30 DCEDRP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001283043545 953951288 /nfs/dbraw/zinc/95/12/88/953951288.db2.gz SXKWXWPWJGVSPL-HDJSIYSDSA-N 2 0 305.426 0.729 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001283693653 954538151 /nfs/dbraw/zinc/53/81/51/954538151.db2.gz ZKDPKOHFFXFNCH-OAHLLOKOSA-N 2 0 324.469 0.457 20 30 DCEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)c1sccc1C[NH+](C)C ZINC001283765857 954592327 /nfs/dbraw/zinc/59/23/27/954592327.db2.gz WWOYYXPJVMULTL-CYBMUJFWSA-N 2 0 309.435 0.513 20 30 DCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@@H]1C ZINC001283868594 954680601 /nfs/dbraw/zinc/68/06/01/954680601.db2.gz MJNCDBLZIAKMTB-HUUCEWRRSA-N 2 0 317.437 0.661 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCO)C2)CC1 ZINC001284243564 954958017 /nfs/dbraw/zinc/95/80/17/954958017.db2.gz HMNWOBAEVVIHQK-GOEBONIOSA-N 2 0 307.438 0.198 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001284460395 955110769 /nfs/dbraw/zinc/11/07/69/955110769.db2.gz RYVXTSFSCAQYJT-QGZVFWFLSA-N 2 0 317.433 0.794 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)CCCO)C2)CC1 ZINC001491965801 959452545 /nfs/dbraw/zinc/45/25/45/959452545.db2.gz UAPVJXHQDJHNEA-QGZVFWFLSA-N 2 0 321.465 0.637 20 30 DCEDRP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001316750457 960311486 /nfs/dbraw/zinc/31/14/86/960311486.db2.gz RXEYDNQTJHTCGO-JKSUJKDBSA-N 2 0 307.438 0.389 20 30 DCEDRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001369383182 964863632 /nfs/dbraw/zinc/86/36/32/964863632.db2.gz MOJNEXHNYHNZLU-HZPDHXFCSA-N 2 0 316.405 0.077 20 30 DCEDRP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001394652938 993972798 /nfs/dbraw/zinc/97/27/98/993972798.db2.gz MQHMHWMEOUTTHW-HOTGVXAUSA-N 2 0 318.421 0.465 20 30 DCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001502567594 1015974277 /nfs/dbraw/zinc/97/42/77/1015974277.db2.gz HPHPZCKJPGTANH-RDJZCZTQSA-N 2 0 309.454 0.988 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001507163828 1016045780 /nfs/dbraw/zinc/04/57/80/1016045780.db2.gz WUBGCQPCJIDFFY-OAHLLOKOSA-N 2 0 322.453 0.048 20 30 DCEDRP CC#CC[NH2+]CC1CC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001505536011 1016290521 /nfs/dbraw/zinc/29/05/21/1016290521.db2.gz IVCDUTSNSIZAQM-FHERZECASA-N 2 0 307.438 0.462 20 30 DCEDRP N#Cc1ccc(C[NH2+][C@@H](CO)CNC(=O)C[NH+]2CCCC2)cc1 ZINC001403749077 1002466298 /nfs/dbraw/zinc/46/62/98/1002466298.db2.gz OVTDBJDMLBSJSH-MRXNPFEDSA-N 2 0 316.405 0.221 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001407855106 1004902820 /nfs/dbraw/zinc/90/28/20/1004902820.db2.gz DFAIOXGUUJLWLD-ZIAGYGMSSA-N 2 0 315.845 0.898 20 30 DCEDRP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001479401769 1017540500 /nfs/dbraw/zinc/54/05/00/1017540500.db2.gz DGWPMQJTBGXUPF-KOMQPUFPSA-N 2 0 317.437 0.566 20 30 DCEDRP C#CC[N@@H+](CCOC)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001499539021 1017964661 /nfs/dbraw/zinc/96/46/61/1017964661.db2.gz WZKDXPBHOJDIKX-INIZCTEOSA-N 2 0 309.454 0.899 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NC/C=C/CNCc1ccn(C)n1 ZINC001497601270 1018264902 /nfs/dbraw/zinc/26/49/02/1018264902.db2.gz PUWNBIOBBFIZPK-APHBUQMISA-N 2 0 315.421 0.280 20 30 DCEDRP C=CCOCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001500401483 1018440026 /nfs/dbraw/zinc/44/00/26/1018440026.db2.gz FYDCRDCBUAQAGP-DOTOQJQBSA-N 2 0 309.454 0.969 20 30 DCEDRP C=C(Br)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497983785 1018561419 /nfs/dbraw/zinc/56/14/19/1018561419.db2.gz MAHGXXBHTOSCNR-MNOVXSKESA-N 2 0 304.232 0.941 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CCCC1 ZINC001495962047 1018912213 /nfs/dbraw/zinc/91/22/13/1018912213.db2.gz CKHRQPISEUFBPP-OAHLLOKOSA-N 2 0 307.438 0.607 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCO1 ZINC001502044115 1019652815 /nfs/dbraw/zinc/65/28/15/1019652815.db2.gz TWJQUCMFNBHGLE-OLZOCXBDSA-N 2 0 301.818 0.650 20 30 DCEDRP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001502101740 1019718344 /nfs/dbraw/zinc/71/83/44/1019718344.db2.gz IDDVOCCMXKDZSH-QGZVFWFLSA-N 2 0 320.481 0.568 20 30 DCEDRP C=CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001494092471 1019979148 /nfs/dbraw/zinc/97/91/48/1019979148.db2.gz OFJZGRIJCCAVTI-DLBZAZTESA-N 2 0 322.497 0.979 20 30 DCEDRP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000491619415 533104303 /nfs/dbraw/zinc/10/43/03/533104303.db2.gz AYCZEJQZKFETBV-OAHLLOKOSA-N 2 0 310.442 0.352 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000601317425 397053315 /nfs/dbraw/zinc/05/33/15/397053315.db2.gz LFOCSXKSZAULJV-HNNXBMFYSA-N 2 0 309.458 0.182 20 30 DCEDRP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736839 397436351 /nfs/dbraw/zinc/43/63/51/397436351.db2.gz MUVQAWDDVMTROG-MJBXVCDLSA-N 2 0 324.425 0.217 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000355310315 415859836 /nfs/dbraw/zinc/85/98/36/415859836.db2.gz DGLRRJCWIQOZBK-CYBMUJFWSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000347063313 416211265 /nfs/dbraw/zinc/21/12/65/416211265.db2.gz DMGQTFBLUHDTKR-HNNXBMFYSA-N 2 0 310.442 0.657 20 30 DCEDRP CC[NH+](CC)CCCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264059057 416338892 /nfs/dbraw/zinc/33/88/92/416338892.db2.gz CEJPKMZDXYMPGY-UHFFFAOYSA-N 2 0 319.457 0.645 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C[NH3+])CCCC)CC1 ZINC000419731913 416407174 /nfs/dbraw/zinc/40/71/74/416407174.db2.gz RUJDXWGJDBRNJX-AWEZNQCLSA-N 2 0 310.442 0.387 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@@H+](C)[C@H]2C[C@@H](OC)C23CCC3)CC1 ZINC000491327547 416595507 /nfs/dbraw/zinc/59/55/07/416595507.db2.gz WIKZFGFKUZDVHP-JKSUJKDBSA-N 2 0 319.449 0.653 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000491674672 416613552 /nfs/dbraw/zinc/61/35/52/416613552.db2.gz XOKTUFGZDLFVGZ-DLBZAZTESA-N 2 0 314.433 0.996 20 30 DCEDRP C[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](C)[C@@H](CO)C2)C[C@@H]1CO ZINC000621372446 417284004 /nfs/dbraw/zinc/28/40/04/417284004.db2.gz VVLWXLNEHLPWND-XMTFNYHQSA-N 2 0 308.466 0.890 20 30 DCEDRP C=CCCn1cc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)nn1 ZINC000657438862 417857137 /nfs/dbraw/zinc/85/71/37/417857137.db2.gz PWEAIRUMHJUYQA-OAHLLOKOSA-N 2 0 306.458 0.970 20 30 DCEDRP C=CCN1CC[C@H]([N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1=O ZINC000652349561 417889276 /nfs/dbraw/zinc/88/92/76/417889276.db2.gz SNMPVNRBVGYLMF-XUWVNRHRSA-N 2 0 307.438 0.992 20 30 DCEDRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)CN(C)CCC#N)CCCO1 ZINC000583079770 337236744 /nfs/dbraw/zinc/23/67/44/337236744.db2.gz KYFRUQHMTGBKAE-CVEARBPZSA-N 2 0 312.458 0.283 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001569856243 1161286287 /nfs/dbraw/zinc/28/62/87/1161286287.db2.gz RVSAUEKDYMJYBM-HOTGVXAUSA-N 2 0 307.438 0.416 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001570290831 1161544463 /nfs/dbraw/zinc/54/44/63/1161544463.db2.gz FGIHFOGQQQCJNY-GOSISDBHSA-N 2 0 323.481 0.931 20 30 DCEDRP COc1ccccc1CNC(=[NH2+])NCCN1CCC[N@H+](C)CC1 ZINC000170907048 534075191 /nfs/dbraw/zinc/07/51/91/534075191.db2.gz XKYZPLBIAKREPS-UHFFFAOYSA-N 2 0 319.453 0.737 20 30 DCEDRP C[NH+]=C(NCC(C)(C)[NH+](C)C)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261767432 526348901 /nfs/dbraw/zinc/34/89/01/526348901.db2.gz NQJRRBSICWAGAQ-CQSZACIVSA-N 2 0 322.457 0.709 20 30 DCEDRP C[NH+]=C(NCC1([NH+](C)C)CCCC1)N1CCO[C@H](COC)C1 ZINC000261642233 526350528 /nfs/dbraw/zinc/35/05/28/526350528.db2.gz AHUZPQZVSRNLMG-AWEZNQCLSA-N 2 0 312.458 0.783 20 30 DCEDRP C[NH+]=C(NCCN1CCC[N@H+](C)CC1)NC[C@H]1CCCS1 ZINC000261963390 526356410 /nfs/dbraw/zinc/35/64/10/526356410.db2.gz KUORGQAXRGXLMV-CQSZACIVSA-N 2 0 313.515 0.685 20 30 DCEDRP C[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261946679 526391998 /nfs/dbraw/zinc/39/19/98/526391998.db2.gz GBFZSCFMZKVUJM-ZWNOBZJWSA-N 2 0 305.430 0.271 20 30 DCEDRP C=CCN1CC[C@H]([NH+]2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000373844566 526506180 /nfs/dbraw/zinc/50/61/80/526506180.db2.gz ZRBLVGDQHYXIFB-INIZCTEOSA-N 2 0 307.438 0.818 20 30 DCEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=[NH2+])N2CCSCC2)C1 ZINC000170907996 528015078 /nfs/dbraw/zinc/01/50/78/528015078.db2.gz RWMGRNLKGHEQCD-CYBMUJFWSA-N 2 0 300.472 0.707 20 30 DCEDRP CCCNC(=[NH2+])NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000264079953 528162286 /nfs/dbraw/zinc/16/22/86/528162286.db2.gz HAIKAKLFCMPQJR-UHFFFAOYSA-N 2 0 305.426 0.792 20 30 DCEDRP CC[NH+](CC)[C@@H]1CCN(C(NC[C@]2(O)CCSC2)=[NH+]C)C1 ZINC000262447162 528247771 /nfs/dbraw/zinc/24/77/71/528247771.db2.gz VLDWUQJVCRIUBQ-UKRRQHHQSA-N 2 0 314.499 0.846 20 30 DCEDRP CCNC(=[NH2+])NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000267416793 528942516 /nfs/dbraw/zinc/94/25/16/528942516.db2.gz JKGAIEKPWVRXEY-HNNXBMFYSA-N 2 0 317.437 0.808 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cccc(C(N)=O)c1 ZINC000264311778 529100670 /nfs/dbraw/zinc/10/06/70/529100670.db2.gz VCAOCLMXZQJIEL-HNNXBMFYSA-N 2 0 317.437 0.717 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[NH+](CC)CC)CC1 ZINC000343002319 546128579 /nfs/dbraw/zinc/12/85/79/546128579.db2.gz BJFDFYQBIZNJRK-CQSZACIVSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(CC)[C@H]2CC[N@H+](C)C2)CC1 ZINC000668835854 546856980 /nfs/dbraw/zinc/85/69/80/546856980.db2.gz KZURMNMHYDQBRR-HNNXBMFYSA-N 2 0 322.453 0.306 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000669464938 546974781 /nfs/dbraw/zinc/97/47/81/546974781.db2.gz LWGSNLKMVXEJPJ-UKRRQHHQSA-N 2 0 310.442 0.785 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001667743314 1174706613 /nfs/dbraw/zinc/70/66/13/1174706613.db2.gz FJGAAXPWVNTHSQ-HZPDHXFCSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001669368668 1174922265 /nfs/dbraw/zinc/92/22/65/1174922265.db2.gz GDCOTGRLVGKMHR-KGLIPLIRSA-N 2 0 322.453 0.093 20 30 DCEDRP COCC#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001673434147 1175202351 /nfs/dbraw/zinc/20/23/51/1175202351.db2.gz GNWLJMHJUJDPKI-HZPDHXFCSA-N 2 0 309.454 0.757 20 30 DCEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001027611032 660525242 /nfs/dbraw/zinc/52/52/42/660525242.db2.gz PCLLOVIYBSJKLF-MRXNPFEDSA-N 2 0 317.437 0.614 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)CCO)C2)CC1 ZINC001027693550 660626133 /nfs/dbraw/zinc/62/61/33/660626133.db2.gz FICVJRZWTOVMNE-INIZCTEOSA-N 2 0 307.438 0.247 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN(CC)CCO3)[C@@H]2C1 ZINC000979071039 660658184 /nfs/dbraw/zinc/65/81/84/660658184.db2.gz KEENDGPGETWWAN-LVQVYYBASA-N 2 0 305.422 0.024 20 30 DCEDRP C#CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000981645881 661189223 /nfs/dbraw/zinc/18/92/23/661189223.db2.gz GSABAADYNJUMRR-PQUAAJSLSA-N 2 0 317.433 0.407 20 30 DCEDRP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC000981784718 661216262 /nfs/dbraw/zinc/21/62/62/661216262.db2.gz PTAOWHVWRYWTHW-CVEARBPZSA-N 2 0 319.449 0.960 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC001022222220 657571195 /nfs/dbraw/zinc/57/11/95/657571195.db2.gz VSSOLHOKSQRFCT-YVSFHVDLSA-N 2 0 319.449 0.890 20 30 DCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000972522056 657574442 /nfs/dbraw/zinc/57/44/42/657574442.db2.gz GDFMCYFDWIHYQG-OAHLLOKOSA-N 2 0 303.410 0.224 20 30 DCEDRP C=CCN1CCO[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000972535190 657646926 /nfs/dbraw/zinc/64/69/26/657646926.db2.gz RUMTYIDJNOJFHH-QGZVFWFLSA-N 2 0 307.438 0.818 20 30 DCEDRP C[NH+]=C(NCc1nnc(C)n1C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000261977418 657863820 /nfs/dbraw/zinc/86/38/20/657863820.db2.gz NZYDRPUAMLWPRK-AWEZNQCLSA-N 2 0 319.457 0.759 20 30 DCEDRP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001023500422 657935221 /nfs/dbraw/zinc/93/52/21/657935221.db2.gz UFGVSOAWMZSXCI-CTMQZQKCSA-N 2 0 319.449 0.864 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](CCCO)C2)CC1 ZINC000970919722 658081313 /nfs/dbraw/zinc/08/13/13/658081313.db2.gz FSVQQBMJWQPBOC-CQSZACIVSA-N 2 0 307.438 0.151 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)C[N@H+](CC)CCO3)CC1 ZINC000972686641 658242767 /nfs/dbraw/zinc/24/27/67/658242767.db2.gz AYPYKVDEOTYQJL-SFHVURJKSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000999145695 665585325 /nfs/dbraw/zinc/58/53/25/665585325.db2.gz PJYTWJDBFYWJGJ-RDVIWEACSA-N 2 0 303.406 0.062 20 30 DCEDRP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC000972295142 658533142 /nfs/dbraw/zinc/53/31/42/658533142.db2.gz QYTSNOQKSSPSEA-WBVHZDCISA-N 2 0 307.438 0.960 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2CCC([NH2+]C[C@@H](C)O)CC2)CC1 ZINC001026609256 659413536 /nfs/dbraw/zinc/41/35/36/659413536.db2.gz DAYXFBXKYUBNCX-ODIFPOPNSA-N 2 0 321.465 0.729 20 30 DCEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001027464814 659546112 /nfs/dbraw/zinc/54/61/12/659546112.db2.gz QQSGLZKXVXIYNC-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC001019774874 659613307 /nfs/dbraw/zinc/61/33/07/659613307.db2.gz LTFOEGIEURRRLP-LSDHHAIUSA-N 2 0 320.437 0.060 20 30 DCEDRP C=CC[NH+]1CC(CNC(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC001031876013 665723094 /nfs/dbraw/zinc/72/30/94/665723094.db2.gz IEZFKYBODUEGNF-MRXNPFEDSA-N 2 0 307.438 0.721 20 30 DCEDRP CC#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958174020 661295523 /nfs/dbraw/zinc/29/55/23/661295523.db2.gz BKAJXUFPYVNSRG-CVEARBPZSA-N 2 0 319.449 0.295 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001028547528 661603427 /nfs/dbraw/zinc/60/34/27/661603427.db2.gz XLGLPIRPCHIUBJ-HNNXBMFYSA-N 2 0 317.437 0.520 20 30 DCEDRP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698229 661764726 /nfs/dbraw/zinc/76/47/26/661764726.db2.gz DLHAUUHKUYBMRE-VUGNNNGISA-N 2 0 319.449 0.864 20 30 DCEDRP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001028757784 661808633 /nfs/dbraw/zinc/80/86/33/661808633.db2.gz JFFXJTKQPGGEQP-CVEARBPZSA-N 2 0 307.438 0.557 20 30 DCEDRP CC#CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001000716698 665921018 /nfs/dbraw/zinc/92/10/18/665921018.db2.gz YQXKPYKWVOXUNJ-IRXDYDNUSA-N 2 0 317.433 0.621 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000900726926 663272781 /nfs/dbraw/zinc/27/27/81/663272781.db2.gz XZUGSSZVGRNXKJ-MRXNPFEDSA-N 2 0 308.470 0.733 20 30 DCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000911704520 664103747 /nfs/dbraw/zinc/10/37/47/664103747.db2.gz FLHFRJCWLOFTKV-GJZGRUSLSA-N 2 0 322.453 0.340 20 30 DCEDRP CC[NH+](CC)CCN1c2ccccc2C(=NNC(N)=[NH2+])C1=O ZINC000916659213 665081983 /nfs/dbraw/zinc/08/19/83/665081983.db2.gz OSQGUBNTOKCWJF-UHFFFAOYSA-N 2 0 302.382 0.562 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCO)[C@@H]2C)CC1 ZINC000994495741 665116512 /nfs/dbraw/zinc/11/65/12/665116512.db2.gz GRYVWCOGUYXZAS-NVXWUHKLSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCN(C3C[NH+](CC)C3)CC2)CC1 ZINC000941677079 666039637 /nfs/dbraw/zinc/03/96/37/666039637.db2.gz JXRRXQSPDVVYQM-UHFFFAOYSA-N 2 0 318.465 0.180 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000941668002 666040931 /nfs/dbraw/zinc/04/09/31/666040931.db2.gz APDDJBFMGSBVND-UHFFFAOYSA-N 2 0 306.454 0.487 20 30 DCEDRP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001001756724 666098812 /nfs/dbraw/zinc/09/88/12/666098812.db2.gz IZFPQCPZNDJUJL-KRWDZBQOSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](C[C@@H](CC)OC)C2)CC1 ZINC001032207295 666444657 /nfs/dbraw/zinc/44/46/57/666444657.db2.gz LLXGHBSFTHKNHF-QGZVFWFLSA-N 2 0 321.465 0.805 20 30 DCEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)CC1(C)C ZINC000995591699 666506089 /nfs/dbraw/zinc/50/60/89/666506089.db2.gz UFCCXUSFRJWRKV-CHWSQXEVSA-N 2 0 315.845 0.896 20 30 DCEDRP C#CCN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033142088 666559634 /nfs/dbraw/zinc/55/96/34/666559634.db2.gz PYKGXVNQXQSILU-DLBZAZTESA-N 2 0 319.449 0.796 20 30 DCEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1(C)C ZINC000996069665 666737179 /nfs/dbraw/zinc/73/71/79/666737179.db2.gz KLHMMWUNYRVABR-DGSCNEQVSA-N 2 0 317.433 0.309 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C[C@H](C)O)C2)CC1 ZINC001033687498 666795717 /nfs/dbraw/zinc/79/57/17/666795717.db2.gz HTEWAYAKQOOAHN-GOEBONIOSA-N 2 0 307.438 0.245 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCCN2CCC[N@@H+](C)CC2)CC1 ZINC000733893378 666827023 /nfs/dbraw/zinc/82/70/23/666827023.db2.gz RFVFDZJTSXSSLT-UHFFFAOYSA-N 2 0 320.481 0.475 20 30 DCEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001005740708 667166027 /nfs/dbraw/zinc/16/60/27/667166027.db2.gz GIIYBDCIWAJCKA-HQVVEAJESA-N 2 0 317.433 0.406 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C1)C2 ZINC000884248045 667508941 /nfs/dbraw/zinc/50/89/41/667508941.db2.gz KFQSNMXYLUBEAC-LBLUPFGHSA-N 2 0 302.422 0.712 20 30 DCEDRP C=CCC[C@H](O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000923397466 667525227 /nfs/dbraw/zinc/52/52/27/667525227.db2.gz CACTZGHAIHTOSW-ZNMIVQPWSA-N 2 0 309.410 0.571 20 30 DCEDRP C[NH+](C)C[C@@H]1CN(C(=O)[C@]2(C#N)CCCOC2)C[C@H]1C[NH+](C)C ZINC000870024695 667699332 /nfs/dbraw/zinc/69/93/32/667699332.db2.gz FYYHWZJIORCDNR-INMHGKMJSA-N 2 0 322.453 0.505 20 30 DCEDRP C#CCN(C(=O)c1ccnn1CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000886574749 667778025 /nfs/dbraw/zinc/77/80/25/667778025.db2.gz ROFZCORPONWYFA-UHFFFAOYSA-N 2 0 317.437 0.614 20 30 DCEDRP CC1(C)[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925603133 668334696 /nfs/dbraw/zinc/33/46/96/668334696.db2.gz IAMXNKKSBOIBSW-UCUZKNNWSA-N 2 0 318.421 0.879 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000764542572 668452873 /nfs/dbraw/zinc/45/28/73/668452873.db2.gz WWFWYGKLWSGDRX-UHFFFAOYSA-N 2 0 304.394 0.903 20 30 DCEDRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876801406 668513954 /nfs/dbraw/zinc/51/39/54/668513954.db2.gz BWYIRFSTNPCIDJ-RYUDHWBXSA-N 2 0 319.434 0.760 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000876866503 668523645 /nfs/dbraw/zinc/52/36/45/668523645.db2.gz HCXPFIOZJMQNJT-UPJWGTAASA-N 2 0 301.818 0.811 20 30 DCEDRP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000877133057 668565226 /nfs/dbraw/zinc/56/52/26/668565226.db2.gz VFYIDKWTKLUARI-HNNXBMFYSA-N 2 0 310.442 0.824 20 30 DCEDRP C=CCOCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267709550 1157931360 /nfs/dbraw/zinc/93/13/60/1157931360.db2.gz XHUSJJIKSDQKEF-HOTGVXAUSA-N 2 0 309.454 0.921 20 30 DCEDRP C#CC[N@H+]1CC[C@H]2CN(C(=O)COC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036856467 670223369 /nfs/dbraw/zinc/22/33/69/670223369.db2.gz RVDWZHYGIYHCFY-DOTOQJQBSA-N 2 0 319.449 0.653 20 30 DCEDRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852870266 671181036 /nfs/dbraw/zinc/18/10/36/671181036.db2.gz QWNIYVPQAGBWGZ-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852896609 671189382 /nfs/dbraw/zinc/18/93/82/671189382.db2.gz FYJQIDSIIDUICI-IXDOHACOSA-N 2 0 319.449 0.877 20 30 DCEDRP CC(C)[C@@H](CNC(=[NH2+])N1CCSCC1)N1CC[NH+](C)CC1 ZINC000303793250 685207228 /nfs/dbraw/zinc/20/72/28/685207228.db2.gz ZFEFQSSROHHFJW-CQSZACIVSA-N 2 0 313.515 0.622 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1nnc2ccccn21 ZINC000303792808 685207320 /nfs/dbraw/zinc/20/73/20/685207320.db2.gz YTHSZUXINXQUGT-CYBMUJFWSA-N 2 0 315.425 0.660 20 30 DCEDRP C=C(C)CNC(=[NH2+])NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000303908878 685208602 /nfs/dbraw/zinc/20/86/02/685208602.db2.gz XWPTWNWIVXZBDL-UHFFFAOYSA-N 2 0 302.426 0.814 20 30 DCEDRP C[NH+]=C(NCCN1CCOCC1)NCC[N@H+](C)C1CCCC1 ZINC000304762935 685212186 /nfs/dbraw/zinc/21/21/86/685212186.db2.gz WFNUKUPXOHERQR-UHFFFAOYSA-N 2 0 311.474 0.358 20 30 DCEDRP C=CCC[N@H+]1CC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001038255976 694028113 /nfs/dbraw/zinc/02/81/13/694028113.db2.gz ACDGVLWRKBKJGA-AWEZNQCLSA-N 2 0 305.426 0.825 20 30 DCEDRP C=CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958176445 687407249 /nfs/dbraw/zinc/40/72/49/687407249.db2.gz SYZJUAXLZBEQDW-JKSUJKDBSA-N 2 0 321.465 0.847 20 30 DCEDRP C=CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958262111 687490215 /nfs/dbraw/zinc/49/02/15/687490215.db2.gz GXRXYDWLICCGCE-GOEBONIOSA-N 2 0 314.389 0.933 20 30 DCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000961342320 688597690 /nfs/dbraw/zinc/59/76/90/688597690.db2.gz LZEFJWFGSLQTHW-HZMVEIRTSA-N 2 0 301.434 0.931 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2[C@@H](C)COC)CC1 ZINC001039042254 694283987 /nfs/dbraw/zinc/28/39/87/694283987.db2.gz OKAAQDPVPFOPSZ-GOEBONIOSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCN1CCOCC1 ZINC001039452119 694366588 /nfs/dbraw/zinc/36/65/88/694366588.db2.gz HMZOMUMVHQOJKB-SJORKVTESA-N 2 0 319.449 0.797 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001009627389 691077466 /nfs/dbraw/zinc/07/74/66/691077466.db2.gz LNMMJVSKOFKDIX-MRXNPFEDSA-N 2 0 307.438 0.295 20 30 DCEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014457386 692023811 /nfs/dbraw/zinc/02/38/11/692023811.db2.gz GYHDOCLXBMVJJU-CQSZACIVSA-N 2 0 305.426 0.825 20 30 DCEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001016627075 692734832 /nfs/dbraw/zinc/73/48/32/692734832.db2.gz IYUQZXCUKPOTBF-CVEARBPZSA-N 2 0 301.434 0.932 20 30 DCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001073433985 694726513 /nfs/dbraw/zinc/72/65/13/694726513.db2.gz YQQLIQUBFXXMBP-MRXNPFEDSA-N 2 0 319.449 0.512 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001571462629 1162769263 /nfs/dbraw/zinc/76/92/63/1162769263.db2.gz HHDJQSUJPWZDKC-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001571606747 1162856308 /nfs/dbraw/zinc/85/63/08/1162856308.db2.gz UQMKQCORBVIYSR-HOTGVXAUSA-N 2 0 309.454 0.635 20 30 DCEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001772513886 1157399409 /nfs/dbraw/zinc/39/94/09/1157399409.db2.gz PXWLKVQZXNODAX-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[N@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001672035106 1157436365 /nfs/dbraw/zinc/43/63/65/1157436365.db2.gz UAPXXEXFEDYEMK-QGZVFWFLSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@@H+](C)C[C@H](C)O)C2)CC1 ZINC001691997535 1157565910 /nfs/dbraw/zinc/56/59/10/1157565910.db2.gz DMYBFVVOALLQFU-JKSUJKDBSA-N 2 0 321.465 0.493 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001691370552 1157655478 /nfs/dbraw/zinc/65/54/78/1157655478.db2.gz WBBPSLPHLKHHIF-CABCVRRESA-N 2 0 324.469 0.457 20 30 DCEDRP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001565992000 1159940957 /nfs/dbraw/zinc/94/09/57/1159940957.db2.gz AGPDQYOEUOQSMC-NSHDSACASA-N 2 0 305.382 0.026 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001566654072 1160114169 /nfs/dbraw/zinc/11/41/69/1160114169.db2.gz GPHIYTHESUJXJR-KRWDZBQOSA-N 2 0 320.481 0.618 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001567155908 1160258949 /nfs/dbraw/zinc/25/89/49/1160258949.db2.gz ZVQHWDHGBOUKOO-MRXNPFEDSA-N 2 0 301.434 0.793 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001567611545 1160440576 /nfs/dbraw/zinc/44/05/76/1160440576.db2.gz LNYYCEHVUZWYBE-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC#CCOC ZINC001568277372 1160619454 /nfs/dbraw/zinc/61/94/54/1160619454.db2.gz WUJTZQYRBVUOIJ-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[NH2+]C/C=C\CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001568969972 1160904137 /nfs/dbraw/zinc/90/41/37/1160904137.db2.gz RTGBYAFJLROGNT-KSLSASGISA-N 2 0 307.438 0.771 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C1 ZINC001569522864 1161086429 /nfs/dbraw/zinc/08/64/29/1161086429.db2.gz OXFKKOULIRTOEE-LSDHHAIUSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001569693723 1161197410 /nfs/dbraw/zinc/19/74/10/1161197410.db2.gz JQHBYLNKLGAOSP-RDJZCZTQSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CCNC(=O)[C@H](C)[N@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001570216806 1161496850 /nfs/dbraw/zinc/49/68/50/1161496850.db2.gz KRPZRLLCJXZHRS-HNNXBMFYSA-N 2 0 322.453 0.000 20 30 DCEDRP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1C[N@H+](C[C@H](O)CC1(C#N)CCC1)C2 ZINC001578842634 1165137937 /nfs/dbraw/zinc/13/79/37/1165137937.db2.gz QSEBCZMHNBKYIM-UMPJEAMMSA-N 2 0 321.421 0.644 20 30 DCEDRP C=C(CO)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001583807334 1166287700 /nfs/dbraw/zinc/28/77/00/1166287700.db2.gz AHNZGXJEBGVUCP-UHFFFAOYSA-N 2 0 304.394 0.258 20 30 DCEDRP COCC#CC[NH+]1CCC(C)(NC(=O)CCC[NH+](C)C)CC1 ZINC001671423526 1171844289 /nfs/dbraw/zinc/84/42/89/1171844289.db2.gz PWQGPWTYOZJCMM-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC001646522416 1172413122 /nfs/dbraw/zinc/41/31/22/1172413122.db2.gz OWSYJPFWUCNASF-OAHLLOKOSA-N 2 0 324.469 0.869 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001656232221 1173855364 /nfs/dbraw/zinc/85/53/64/1173855364.db2.gz UVHUDOHIYIKXAU-SHTZXODSSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CCO1 ZINC001673306738 1174018579 /nfs/dbraw/zinc/01/85/79/1174018579.db2.gz ZPKDLKZGQHTAPA-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001663620901 1174334835 /nfs/dbraw/zinc/33/48/35/1174334835.db2.gz RRKXWULCTCLQDJ-GJZGRUSLSA-N 2 0 322.453 0.163 20 30 DCEDRP CCC[N@@H+](CC#CCOC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001663683684 1174342415 /nfs/dbraw/zinc/34/24/15/1174342415.db2.gz BFGVKQKRFLWSRS-INIZCTEOSA-N 2 0 309.454 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001663942496 1174374854 /nfs/dbraw/zinc/37/48/54/1174374854.db2.gz WOWILXLFECWFDA-UONOGXRCSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CCNC(=O)C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001664492258 1174435862 /nfs/dbraw/zinc/43/58/62/1174435862.db2.gz NSQMQZXOWUMIGC-HNNXBMFYSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC001664760188 1174455395 /nfs/dbraw/zinc/45/53/95/1174455395.db2.gz NICIFCULHHIPPV-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001664850055 1174466863 /nfs/dbraw/zinc/46/68/63/1174466863.db2.gz WJCNBQILTIBYII-IAGOWNOFSA-N 2 0 321.465 0.758 20 30 DCEDRP C#CCC[NH+]1CC[C@@](O)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001672002874 1175059624 /nfs/dbraw/zinc/05/96/24/1175059624.db2.gz AHZZJCAQDVVOQC-NVXWUHKLSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CCC[N@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001672043981 1175069800 /nfs/dbraw/zinc/06/98/00/1175069800.db2.gz DZRRZMVSKCUICQ-KRWDZBQOSA-N 2 0 309.454 0.992 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CCO1 ZINC001673341907 1175193693 /nfs/dbraw/zinc/19/36/93/1175193693.db2.gz HXIBHKDFZDERQK-SJORKVTESA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001674320045 1175269033 /nfs/dbraw/zinc/26/90/33/1175269033.db2.gz ZACSGBKWJFUDSY-UHFFFAOYSA-N 2 0 307.438 0.295 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001676267311 1175432342 /nfs/dbraw/zinc/43/23/42/1175432342.db2.gz BQYSMFJOHIWZSJ-WBVHZDCISA-N 2 0 321.465 0.805 20 30 DCEDRP CC(C)OCC[NH+]1CCC(NC(=O)NCC#CC[NH+](C)C)CC1 ZINC001679920443 1175764301 /nfs/dbraw/zinc/76/43/01/1175764301.db2.gz ZIQYWDGDWZOHFF-UHFFFAOYSA-N 2 0 324.469 0.740 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001688950413 1176663043 /nfs/dbraw/zinc/66/30/43/1176663043.db2.gz ICGVVKLGLABSKL-XQLPTFJDSA-N 2 0 322.453 0.113 20 30 DCEDRP C=C(C)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001689137561 1176704569 /nfs/dbraw/zinc/70/45/69/1176704569.db2.gz VJCUPRGEBXMTRF-CYBMUJFWSA-N 2 0 319.409 0.558 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](CCC)CCO)C1 ZINC001689204204 1176739891 /nfs/dbraw/zinc/73/98/91/1176739891.db2.gz GXCMYUGVMNJDDR-SJORKVTESA-N 2 0 321.465 0.779 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001690155578 1177182894 /nfs/dbraw/zinc/18/28/94/1177182894.db2.gz DRLPQBSTTZEWIK-IAGOWNOFSA-N 2 0 321.465 0.995 20 30 DCEDRP CC[C@@H](C(=O)NC1CCC([NH2+]CC#CCOC)CC1)[NH+](C)C ZINC001690540383 1177264575 /nfs/dbraw/zinc/26/45/75/1177264575.db2.gz LLFHXIOOZIYJAO-GPANFISMSA-N 2 0 309.454 0.993 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001690665011 1177299385 /nfs/dbraw/zinc/29/93/85/1177299385.db2.gz RXQVTDNUQANKMP-JKSUJKDBSA-N 2 0 305.422 0.169 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001690708043 1177308356 /nfs/dbraw/zinc/30/83/56/1177308356.db2.gz IKGLZBKTLNGNFP-OWCLPIDISA-N 2 0 307.438 0.415 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCC1 ZINC001698801228 1177664968 /nfs/dbraw/zinc/66/49/68/1177664968.db2.gz JMLVTZDOQZKQSZ-CQSZACIVSA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCOCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699442012 1178139027 /nfs/dbraw/zinc/13/90/27/1178139027.db2.gz NQWJMEDWCMNBLD-HOCLYGCPSA-N 2 0 309.454 0.967 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001699669757 1178246210 /nfs/dbraw/zinc/24/62/10/1178246210.db2.gz KVYRGGVCGPEUAO-KBPBESRZSA-N 2 0 322.453 0.257 20 30 DCEDRP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)CC[NH+](C)C)C2)CC1 ZINC001699774554 1178284334 /nfs/dbraw/zinc/28/43/34/1178284334.db2.gz CESUDHRVDTZISC-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP C=C(C)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001699898491 1178349272 /nfs/dbraw/zinc/34/92/72/1178349272.db2.gz OBYOFCJSZIEWRS-DOTOQJQBSA-N 2 0 309.454 0.988 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)CCCC[NH+](C)C)C1 ZINC001700008828 1178428700 /nfs/dbraw/zinc/42/87/00/1178428700.db2.gz YGIXQFYTVGVTJO-QGZVFWFLSA-N 2 0 309.454 0.685 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001700203875 1178529455 /nfs/dbraw/zinc/52/94/55/1178529455.db2.gz VDBMLSODSLRKIR-LSDHHAIUSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001700236822 1178545896 /nfs/dbraw/zinc/54/58/96/1178545896.db2.gz QWVZKKCFUSBKOI-RDJZCZTQSA-N 2 0 307.438 0.437 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001700279321 1178564659 /nfs/dbraw/zinc/56/46/59/1178564659.db2.gz UYHUOZYYVXOACQ-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001700300740 1178572268 /nfs/dbraw/zinc/57/22/68/1178572268.db2.gz COXQDNVCFZTXNC-HZPDHXFCSA-N 2 0 319.449 0.580 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001707023707 1180400661 /nfs/dbraw/zinc/40/06/61/1180400661.db2.gz UMVQFWNHZGRJMI-RBSFLKMASA-N 2 0 322.453 0.067 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001707083223 1180413571 /nfs/dbraw/zinc/41/35/71/1180413571.db2.gz QBYLCQYUNJRJKI-ULQDDVLXSA-N 2 0 321.465 0.993 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001713077035 1180670131 /nfs/dbraw/zinc/67/01/31/1180670131.db2.gz NXHQSBAARRZJOW-QGZVFWFLSA-N 2 0 320.481 0.618 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001713291001 1180754089 /nfs/dbraw/zinc/75/40/89/1180754089.db2.gz SVRJTDKWEOKYDB-UHFFFAOYSA-N 2 0 310.442 0.257 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001713597849 1180955842 /nfs/dbraw/zinc/95/58/42/1180955842.db2.gz IEIXNTRLTLSNLN-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001713597847 1180955875 /nfs/dbraw/zinc/95/58/75/1180955875.db2.gz IEIXNTRLTLSNLN-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP CCC[N@H+](C)CC(=O)NCC[C@H]1CC[NH+](CC#CCOC)C1 ZINC001713737864 1181036852 /nfs/dbraw/zinc/03/68/52/1181036852.db2.gz NYDGMMAQPQFPPO-INIZCTEOSA-N 2 0 309.454 0.806 20 30 DCEDRP CC#CC[NH2+][C@@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC001713868949 1181121434 /nfs/dbraw/zinc/12/14/34/1181121434.db2.gz RSEJHEYBQSNPBV-INIZCTEOSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001714278657 1181304861 /nfs/dbraw/zinc/30/48/61/1181304861.db2.gz NEDHIGFESXBDKO-HUUCEWRRSA-N 2 0 322.453 0.093 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001714345641 1181328419 /nfs/dbraw/zinc/32/84/19/1181328419.db2.gz GDZFZDVDFKZVHA-RRFJBIMHSA-N 2 0 322.453 0.352 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001714610771 1181439819 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301.434 0.791 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)CCO1 ZINC001717172138 1182708656 /nfs/dbraw/zinc/70/86/56/1182708656.db2.gz FZCOTKIDZYQGNC-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001717253487 1182750690 /nfs/dbraw/zinc/75/06/90/1182750690.db2.gz AXABLRMSPBFZMV-WBVHZDCISA-N 2 0 309.454 0.990 20 30 DCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001717323804 1182782130 /nfs/dbraw/zinc/78/21/30/1182782130.db2.gz PBFGNQPGIBUNPY-UHFFFAOYSA-N 2 0 309.454 0.847 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001717415748 1182827724 /nfs/dbraw/zinc/82/77/24/1182827724.db2.gz LIFDFXULJQYJOO-KGLIPLIRSA-N 2 0 322.453 0.400 20 30 DCEDRP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001717938828 1183078112 /nfs/dbraw/zinc/07/81/12/1183078112.db2.gz TWRUXAKIVGXVPR-HZPDHXFCSA-N 2 0 309.454 0.634 20 30 DCEDRP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001724221620 1184402996 /nfs/dbraw/zinc/40/29/96/1184402996.db2.gz AFQWCOVLTVUGSF-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC#CCOC)C1 ZINC001724602211 1184470320 /nfs/dbraw/zinc/47/03/20/1184470320.db2.gz JZYGZGFWYTYMEN-JKSUJKDBSA-N 2 0 309.454 0.662 20 30 DCEDRP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001724830507 1184581347 /nfs/dbraw/zinc/58/13/47/1184581347.db2.gz IKUBZJIDXVVHKA-QGZVFWFLSA-N 2 0 320.481 0.570 20 30 DCEDRP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001724906388 1184613910 /nfs/dbraw/zinc/61/39/10/1184613910.db2.gz WXBPIFIOPRTNHL-SJLPKXTDSA-N 2 0 321.465 0.847 20 30 DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001724908330 1184615399 /nfs/dbraw/zinc/61/53/99/1184615399.db2.gz FRRDWADTCWYGMG-WBVHZDCISA-N 2 0 307.438 0.295 20 30 DCEDRP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001725326765 1184770337 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322.453 0.352 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001733982042 1186514507 /nfs/dbraw/zinc/51/45/07/1186514507.db2.gz CBNACOHSTYIAQW-ZIAGYGMSSA-N 2 0 322.453 0.093 20 30 DCEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001734012087 1186521193 /nfs/dbraw/zinc/52/11/93/1186521193.db2.gz CIOXACQQVALODY-GTPINHCMSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001734479589 1186663457 /nfs/dbraw/zinc/66/34/57/1186663457.db2.gz XKBNVYPALAKINX-JKSUJKDBSA-N 2 0 321.465 0.853 20 30 DCEDRP C=CC[NH+]1CCN(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001752374399 1188419119 /nfs/dbraw/zinc/41/91/19/1188419119.db2.gz HKXMUUCIFQWWBI-UHFFFAOYSA-N 2 0 308.470 0.638 20 30 DCEDRP COCC#CC[N@H+](C)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001753367309 1188574038 /nfs/dbraw/zinc/57/40/38/1188574038.db2.gz FVPNUVAAMXFVLF-UHFFFAOYSA-N 2 0 321.465 0.902 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001753933382 1188688849 /nfs/dbraw/zinc/68/88/49/1188688849.db2.gz KIQXXMIOLNCEMP-IAGOWNOFSA-N 2 0 317.433 0.769 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]C[C@@H]2CCOC2)CC1 ZINC001754416450 1188850327 /nfs/dbraw/zinc/85/03/27/1188850327.db2.gz OQDBKCFTEFLONF-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CC[N@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001754752864 1188921226 /nfs/dbraw/zinc/92/12/26/1188921226.db2.gz RWMMGIUEJUTAPU-QGZVFWFLSA-N 2 0 307.438 0.601 20 30 DCEDRP C=CCC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001754767654 1188930005 /nfs/dbraw/zinc/93/00/05/1188930005.db2.gz UUEXOAFRUBRAQT-ZBFHGGJFSA-N 2 0 321.465 0.846 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001754897646 1188968368 /nfs/dbraw/zinc/96/83/68/1188968368.db2.gz BCQATGLZUVWAFP-INIZCTEOSA-N 2 0 309.454 0.541 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001755033832 1189001485 /nfs/dbraw/zinc/00/14/85/1189001485.db2.gz FYGQBYGZEAHJJJ-HUUCEWRRSA-N 2 0 322.453 0.211 20 30 DCEDRP C=C(C)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001755177971 1189046872 /nfs/dbraw/zinc/04/68/72/1189046872.db2.gz KRZFJSVLSRTGLL-HUUCEWRRSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001755441947 1189113524 /nfs/dbraw/zinc/11/35/24/1189113524.db2.gz LVLLAMXSDWKLBN-GOEBONIOSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[NH2+]CCCC)CC1 ZINC001755795703 1189218414 /nfs/dbraw/zinc/21/84/14/1189218414.db2.gz IVXGMBPUBFGISG-INIZCTEOSA-N 2 0 309.454 0.541 20 30 DCEDRP C[N@@H+]1CCO[C@@H]2CN(c3ncc4c(c3C#N)CCC[NH2+]C4)C[C@H]21 ZINC001164670354 719370513 /nfs/dbraw/zinc/37/05/13/719370513.db2.gz UQMUXCIZHMFSMF-HZPDHXFCSA-N 2 0 313.405 0.508 20 30 DCEDRP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001077553951 751457953 /nfs/dbraw/zinc/45/79/53/751457953.db2.gz WFCBXBKFVTXJOP-BZUAXINKSA-N 2 0 307.438 0.293 20 30 DCEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981033 751706842 /nfs/dbraw/zinc/70/68/42/751706842.db2.gz FFSHGZOZIXCDCS-BZUAXINKSA-N 2 0 309.454 0.825 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001203413569 747845490 /nfs/dbraw/zinc/84/54/90/747845490.db2.gz ATZXRFVACLZWLI-UHFFFAOYSA-N 2 0 324.469 0.601 20 30 DCEDRP C=CCC[NH2+]Cc1cn(C2CN(C(=O)C[NH+](CC)CC)C2)nn1 ZINC001105344375 748323516 /nfs/dbraw/zinc/32/35/16/748323516.db2.gz ZWABLFWLDGDFOJ-UHFFFAOYSA-N 2 0 320.441 0.669 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]C[C@@H](C)O)C2)CC1 ZINC001086558321 761912907 /nfs/dbraw/zinc/91/29/07/761912907.db2.gz BTIGVMSVTOQYQP-IIAWOOMASA-N 2 0 307.438 0.197 20 30 DCEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1CC ZINC001087757474 749041237 /nfs/dbraw/zinc/04/12/37/749041237.db2.gz WSMIAOFSDPYCGB-JKSUJKDBSA-N 2 0 317.437 0.661 20 30 DCEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083475146 749984753 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DCEDRP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047553479 754387140 /nfs/dbraw/zinc/38/71/40/754387140.db2.gz IBLHPIZWBNNMLE-HOTGVXAUSA-N 2 0 309.454 0.798 20 30 DCEDRP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048824218 754962570 /nfs/dbraw/zinc/96/25/70/754962570.db2.gz VMLOOBFXWIMUQE-BBWFWOEESA-N 2 0 301.434 0.742 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081670425 756750318 /nfs/dbraw/zinc/75/03/18/756750318.db2.gz SDHQUGYKJWXYJD-BZUAXINKSA-N 2 0 305.422 0.167 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081672615 756751282 /nfs/dbraw/zinc/75/12/82/756751282.db2.gz CJBGGWCVQANZNT-ARFHVFGLSA-N 2 0 307.438 0.720 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001082291306 757006576 /nfs/dbraw/zinc/00/65/76/757006576.db2.gz LLPMXXBAAISPDE-IAGOWNOFSA-N 2 0 321.465 0.946 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC(C)C)C[C@@H]2O)CC1 ZINC001084087957 757667762 /nfs/dbraw/zinc/66/77/62/757667762.db2.gz JUMVJLKMVUHCSQ-SJORKVTESA-N 2 0 321.465 0.539 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](C)O)CC1 ZINC001098462903 762677600 /nfs/dbraw/zinc/67/76/00/762677600.db2.gz UMHWMOCFXOYSEW-DZUCGIPZSA-N 2 0 319.449 0.434 20 30 DCEDRP C=C(C)C[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117590 759191554 /nfs/dbraw/zinc/19/15/54/759191554.db2.gz UQHLRAYNTXYEOC-SJORKVTESA-N 2 0 320.481 0.733 20 30 DCEDRP CC[N@H+](C)C(C)(C)C(=O)N1CC2(C1)CC[NH+](CC#CCOC)C2 ZINC001147835342 767855543 /nfs/dbraw/zinc/85/55/43/767855543.db2.gz FOCGMVYNZUSNAO-UHFFFAOYSA-N 2 0 321.465 0.901 20 30 DCEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCc2cncn2C)[C@H](O)C1 ZINC001100094627 760246148 /nfs/dbraw/zinc/24/61/48/760246148.db2.gz PQQCMKNMQHQHRP-HZPDHXFCSA-N 2 0 320.437 0.870 20 30 DCEDRP C=C(C)C[NH+](CCO)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001098450006 760301388 /nfs/dbraw/zinc/30/13/88/760301388.db2.gz ZDUOHAYMQFAHJG-MRXNPFEDSA-N 2 0 309.454 0.942 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001148292848 767960452 /nfs/dbraw/zinc/96/04/52/767960452.db2.gz WFTDGKPURJATBM-MRXNPFEDSA-N 2 0 319.449 0.512 20 30 DCEDRP C=CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001070435232 761236376 /nfs/dbraw/zinc/23/63/76/761236376.db2.gz AFEPOKCUCDYEQD-KGLIPLIRSA-N 2 0 317.437 0.953 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(C)(C)CC ZINC001129770379 763007223 /nfs/dbraw/zinc/00/72/23/763007223.db2.gz FGOYSYDVDKVUDF-AWEZNQCLSA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971656 763177523 /nfs/dbraw/zinc/17/75/23/763177523.db2.gz KUMXYGXKDDXLSI-GJZGRUSLSA-N 2 0 309.454 0.846 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100127583 763335429 /nfs/dbraw/zinc/33/54/29/763335429.db2.gz XEAMLCLGRGQALU-HOTGVXAUSA-N 2 0 307.438 0.437 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001100418653 763565547 /nfs/dbraw/zinc/56/55/47/763565547.db2.gz DRHRNTVPRYQIDB-OFLPRAFFSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C1(C[NH+](C)C)CC1)C[C@@H](C)O2 ZINC001131677844 763944545 /nfs/dbraw/zinc/94/45/45/763944545.db2.gz PTELQDDYHHQION-QAPCUYQASA-N 2 0 319.449 0.653 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845978 765180426 /nfs/dbraw/zinc/18/04/26/765180426.db2.gz QZLYXZPFXVXMNM-HNNXBMFYSA-N 2 0 324.469 0.459 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)CCn1ccnc1C(C)C ZINC001134723722 765644476 /nfs/dbraw/zinc/64/44/76/765644476.db2.gz TVISWUZKGMVOHO-UHFFFAOYSA-N 2 0 321.425 0.405 20 30 DCEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135652011 766023377 /nfs/dbraw/zinc/02/33/77/766023377.db2.gz SZNCOEKHPKQMRY-CABCVRRESA-N 2 0 319.453 0.955 20 30 DCEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001086785025 766119447 /nfs/dbraw/zinc/11/94/47/766119447.db2.gz GJTBEBCBONFALZ-ARFHVFGLSA-N 2 0 307.438 0.603 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135992781 766199809 /nfs/dbraw/zinc/19/98/09/766199809.db2.gz VELKQRXDQNBZMU-GJZGRUSLSA-N 2 0 324.469 0.341 20 30 DCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001118322683 766288696 /nfs/dbraw/zinc/28/86/96/766288696.db2.gz NGHDOGOEJSSWPQ-HUUCEWRRSA-N 2 0 308.426 0.578 20 30 DCEDRP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090572631 766327684 /nfs/dbraw/zinc/32/76/84/766327684.db2.gz HFGVNQIWTDCMSL-HUUCEWRRSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC001090693753 766484131 /nfs/dbraw/zinc/48/41/31/766484131.db2.gz VDRNSUKAYKYLQZ-IAGOWNOFSA-N 2 0 321.465 0.682 20 30 DCEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001098493125 766712894 /nfs/dbraw/zinc/71/28/94/766712894.db2.gz VMRDDVINRAPTPJ-UHFFFAOYSA-N 2 0 321.465 0.637 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)COCC[NH+](C)C)CCCCC1 ZINC001120004807 766881317 /nfs/dbraw/zinc/88/13/17/766881317.db2.gz HSXNAULGWYOWCC-UHFFFAOYSA-N 2 0 309.454 0.997 20 30 DCEDRP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]CC#CC[NH+](C)C)cc1 ZINC001120584172 767086701 /nfs/dbraw/zinc/08/67/01/767086701.db2.gz YVOZSVCWSRMJKU-MRXNPFEDSA-N 2 0 319.405 0.539 20 30 DCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1)C(C)C ZINC001121909663 767664536 /nfs/dbraw/zinc/66/45/36/767664536.db2.gz YFFJIRGNWLWIBE-BFYDXBDKSA-N 2 0 309.454 0.914 20 30 DCEDRP COCC#CC[NH2+]CCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001147411017 767743522 /nfs/dbraw/zinc/74/35/22/767743522.db2.gz YALNPLXGPMGWTJ-GOSISDBHSA-N 2 0 317.433 0.819 20 30 DCEDRP C=C(C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001142509688 768647915 /nfs/dbraw/zinc/64/79/15/768647915.db2.gz IBIPUOMBWHZUCI-UHFFFAOYSA-N 2 0 322.453 0.259 20 30 DCEDRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001151048734 769245347 /nfs/dbraw/zinc/24/53/47/769245347.db2.gz FDZSZNIDRRXWTQ-HNNXBMFYSA-N 2 0 303.381 0.835 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001171508408 769312049 /nfs/dbraw/zinc/31/20/49/769312049.db2.gz DGYTZCJBVMGIFL-HUUCEWRRSA-N 2 0 324.469 0.341 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001152479355 769572371 /nfs/dbraw/zinc/57/23/71/769572371.db2.gz FTQJTXLGXSMXSC-MRXNPFEDSA-N 2 0 324.469 0.505 20 30 DCEDRP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1ncc[nH]1 ZINC001175872903 769984539 /nfs/dbraw/zinc/98/45/39/769984539.db2.gz IFQAXEUUFRDLOI-CQSZACIVSA-N 2 0 306.410 0.867 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176022554 770003552 /nfs/dbraw/zinc/00/35/52/770003552.db2.gz BQFDLBIXHVRVJC-HNNXBMFYSA-N 2 0 324.469 0.342 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176309457 770082540 /nfs/dbraw/zinc/08/25/40/770082540.db2.gz SZMITASBAMARNI-UHFFFAOYSA-N 2 0 324.469 0.651 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176574107 770128878 /nfs/dbraw/zinc/12/88/78/770128878.db2.gz RCJVSCYJRJAVKI-OAHLLOKOSA-N 2 0 322.453 0.096 20 30 DCEDRP CC#CC[NH+]1CCCO[C@@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001150626803 770179131 /nfs/dbraw/zinc/17/91/31/770179131.db2.gz ZBPTUMJPVDUISY-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C[NH+](C)C[C@H]1COCCN1c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001154961093 770353205 /nfs/dbraw/zinc/35/32/05/770353205.db2.gz KAPWHDBAIVPGCU-AWEZNQCLSA-N 2 0 315.421 0.756 20 30 DCEDRP N#Cc1c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)ncc2c1CCC[NH2+]C2 ZINC001155479957 770516460 /nfs/dbraw/zinc/51/64/60/770516460.db2.gz KGPNFOOMPIIYGA-DAXOMENPSA-N 2 0 313.405 0.635 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001179856696 771026384 /nfs/dbraw/zinc/02/63/84/771026384.db2.gz HZGWEEBQSPUMLO-KBPBESRZSA-N 2 0 310.442 0.209 20 30 DCEDRP N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC001158306175 771756670 /nfs/dbraw/zinc/75/66/70/771756670.db2.gz OWOZLQNKYKRJSS-XFKAJCMBSA-N 2 0 324.428 0.899 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001185501539 771922743 /nfs/dbraw/zinc/92/27/43/771922743.db2.gz GLBGVPRQOYNRSA-HZPDHXFCSA-N 2 0 309.454 0.662 20 30 DCEDRP C#CC[C@H]([NH3+])C(=O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159548399 771926622 /nfs/dbraw/zinc/92/66/22/771926622.db2.gz ACCMYEPBGDLCAR-AWEZNQCLSA-N 2 0 315.421 0.608 20 30 DCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001185743545 771951885 /nfs/dbraw/zinc/95/18/85/771951885.db2.gz VZJOMAUWRXYNFB-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H](C2CC2)[NH+](C)C)C1=O ZINC001159932751 771979817 /nfs/dbraw/zinc/97/98/17/771979817.db2.gz USLHPXRUYDDGTG-CABCVRRESA-N 2 0 322.453 0.209 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001186497124 772047609 /nfs/dbraw/zinc/04/76/09/772047609.db2.gz XNOHOATVPGTLOI-UONOGXRCSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC12CCOCC2 ZINC001186553958 772054281 /nfs/dbraw/zinc/05/42/81/772054281.db2.gz YUTPAHRRRUBNIN-HOTGVXAUSA-N 2 0 319.449 0.416 20 30 DCEDRP N#Cc1ccc(N2CCCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2)nc1 ZINC001160602664 772076900 /nfs/dbraw/zinc/07/69/00/772076900.db2.gz IYOFQSLFUJSUPP-AWEZNQCLSA-N 2 0 316.409 0.058 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2CCCC[N@H+]2C)C1=O ZINC001161042079 772156447 /nfs/dbraw/zinc/15/64/47/772156447.db2.gz NTUPPWLMPRRVCC-HUUCEWRRSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001188118461 772268512 /nfs/dbraw/zinc/26/85/12/772268512.db2.gz WAVCOQPNPAFFDS-OAHLLOKOSA-N 2 0 322.453 0.355 20 30 DCEDRP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)(COC)CC1 ZINC001162603879 772396459 /nfs/dbraw/zinc/39/64/59/772396459.db2.gz AUOCPGDPFASPJH-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203699913 772448464 /nfs/dbraw/zinc/44/84/64/772448464.db2.gz WYPZUJJWSMQDHU-UONOGXRCSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001190221639 772602995 /nfs/dbraw/zinc/60/29/95/772602995.db2.gz IOIBBSGXBFPMGO-HNNXBMFYSA-N 2 0 317.437 0.614 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001164449310 772660218 /nfs/dbraw/zinc/66/02/18/772660218.db2.gz HKPADVIUODLLAC-HNNXBMFYSA-N 2 0 324.469 0.507 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203349365 772905043 /nfs/dbraw/zinc/90/50/43/772905043.db2.gz IHMQOLUCIFZMTE-KBPBESRZSA-N 2 0 322.453 0.257 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+][C@@H](C)COC)CC2)CC1 ZINC001203888513 772928594 /nfs/dbraw/zinc/92/85/94/772928594.db2.gz NGXXHIMVYOFKCL-HNNXBMFYSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192948009 772977292 /nfs/dbraw/zinc/97/72/92/772977292.db2.gz NKXZPSWROHKCJD-CABCVRRESA-N 2 0 324.469 0.552 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001206073885 773044573 /nfs/dbraw/zinc/04/45/73/773044573.db2.gz HKHXEGNMJHKGME-UHFFFAOYSA-N 2 0 324.469 0.459 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193462793 773066708 /nfs/dbraw/zinc/06/67/08/773066708.db2.gz PULNXJQBOWUCPS-CVEARBPZSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207705998 773277871 /nfs/dbraw/zinc/27/78/71/773277871.db2.gz MOKJODYDVWEMPO-HUUCEWRRSA-N 2 0 307.438 0.415 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001208328531 773433974 /nfs/dbraw/zinc/43/39/74/773433974.db2.gz DYVPXMZZEZZFKX-CQSZACIVSA-N 2 0 322.453 0.354 20 30 DCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001208639390 773509044 /nfs/dbraw/zinc/50/90/44/773509044.db2.gz QHUWJSBFSJFFHI-LPMVOBIJSA-N 2 0 317.433 0.454 20 30 DCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210338817 773699482 /nfs/dbraw/zinc/69/94/82/773699482.db2.gz JWQUPUMIAXNWCN-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210685746 773730381 /nfs/dbraw/zinc/73/03/81/773730381.db2.gz YIVLNCOBXVIEAO-HNNXBMFYSA-N 2 0 305.422 0.313 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210750634 773734514 /nfs/dbraw/zinc/73/45/14/773734514.db2.gz GHGNEBKQJRFMCJ-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210812400 773741452 /nfs/dbraw/zinc/74/14/52/773741452.db2.gz ZHIGZKDFGIIPER-HUUCEWRRSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197819900 773812730 /nfs/dbraw/zinc/81/27/30/773812730.db2.gz QBISHRAFAYUZEQ-RBSFLKMASA-N 2 0 307.438 0.598 20 30 DCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214856253 774019323 /nfs/dbraw/zinc/01/93/23/774019323.db2.gz ZGCVZSCWSDKIAY-FVQBIDKESA-N 2 0 309.454 0.966 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001215990246 774097366 /nfs/dbraw/zinc/09/73/66/774097366.db2.gz YDLBEVCYYQDCAM-QLFBSQMISA-N 2 0 324.469 0.455 20 30 DCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC#C)CC2)C[C@H]1C ZINC001216837826 774141619 /nfs/dbraw/zinc/14/16/19/774141619.db2.gz UBRJKGUPPCLEGH-NVXWUHKLSA-N 2 0 301.434 0.791 20 30 DCEDRP N#Cc1cc2cccnc2nc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218544531 774242979 /nfs/dbraw/zinc/24/29/79/774242979.db2.gz VQBCCMCWLAQLEE-NSHDSACASA-N 2 0 316.390 0.459 20 30 DCEDRP N#Cc1cc2cccnc2nc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218544025 774243003 /nfs/dbraw/zinc/24/30/03/774243003.db2.gz BLHFDTUXCXWXJG-ZDUSSCGKSA-N 2 0 310.361 0.767 20 30 DCEDRP COC(=O)c1scc(C#N)c1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218604757 774260764 /nfs/dbraw/zinc/26/07/64/774260764.db2.gz HOLDMBDCGKJEDL-SNVBAGLBSA-N 2 0 322.390 0.672 20 30 DCEDRP N#Cc1cc(N)c(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])cc1C#N ZINC001218988231 774342772 /nfs/dbraw/zinc/34/27/72/774342772.db2.gz XBKKABSOGJKHSF-LBPRGKRZSA-N 2 0 300.366 0.797 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CCCO1 ZINC001200687956 774389662 /nfs/dbraw/zinc/38/96/62/774389662.db2.gz IMWSCDUSYZJRNC-DLBZAZTESA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201862445 774559660 /nfs/dbraw/zinc/55/96/60/774559660.db2.gz BCKLMOMFOZAOAD-HNNXBMFYSA-N 2 0 313.442 0.348 20 30 DCEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001219866813 774631885 /nfs/dbraw/zinc/63/18/85/774631885.db2.gz AERZJAZDBJYFHW-CVEARBPZSA-N 2 0 321.465 0.990 20 30 DCEDRP N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001220149974 774709840 /nfs/dbraw/zinc/70/98/40/774709840.db2.gz LKSDVIZBUBRVMM-OMNBBPDLSA-N 2 0 312.417 0.932 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114404802 774841178 /nfs/dbraw/zinc/84/11/78/774841178.db2.gz HSAYILMJFMYBBV-FICVDOATSA-N 2 0 305.422 0.167 20 30 DCEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001220868224 774940351 /nfs/dbraw/zinc/94/03/51/774940351.db2.gz FFGRVIHYPAZFME-IKGGRYGDSA-N 2 0 320.481 0.827 20 30 DCEDRP C#CCCN1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091081 774993433 /nfs/dbraw/zinc/99/34/33/774993433.db2.gz AYFIXQFINHUDLY-OWCLPIDISA-N 2 0 307.438 0.291 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223430512 775490786 /nfs/dbraw/zinc/49/07/86/775490786.db2.gz MGLLENWLYREMBK-CVEARBPZSA-N 2 0 307.438 0.511 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001229692899 776213924 /nfs/dbraw/zinc/21/39/24/776213924.db2.gz MKXNKWRNCUTCJP-GVDBMIGSSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCOC)CC1 ZINC001230251770 776269459 /nfs/dbraw/zinc/26/94/59/776269459.db2.gz IDMIHINOPGRULX-IAGOWNOFSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001230613463 776352567 /nfs/dbraw/zinc/35/25/67/776352567.db2.gz ODCGYFCLZZSKIH-KRWDZBQOSA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1ccnc1 ZINC001114899588 776377156 /nfs/dbraw/zinc/37/71/56/776377156.db2.gz VAMMYMFDINVJFE-AIANPOQGSA-N 2 0 316.405 0.530 20 30 DCEDRP C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001278201332 945178192 /nfs/dbraw/zinc/17/81/92/945178192.db2.gz FDPYBAATUDDJFA-JKSUJKDBSA-N 2 0 309.454 0.587 20 30 DCEDRP COCC#CC[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001266347939 939086747 /nfs/dbraw/zinc/08/67/47/939086747.db2.gz TXKDVKAHSPBJNW-JKSUJKDBSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001266347938 939086771 /nfs/dbraw/zinc/08/67/71/939086771.db2.gz TXKDVKAHSPBJNW-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001266439578 939118561 /nfs/dbraw/zinc/11/85/61/939118561.db2.gz RLRBONGOEMVCRX-GDBMZVCRSA-N 2 0 307.438 0.462 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266546333 939159101 /nfs/dbraw/zinc/15/91/01/939159101.db2.gz TXJXWOYHQOCYBN-GJZGRUSLSA-N 2 0 322.453 0.069 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001267272876 939411498 /nfs/dbraw/zinc/41/14/98/939411498.db2.gz ACPPABIUQHNIBU-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001267453455 939459573 /nfs/dbraw/zinc/45/95/73/939459573.db2.gz CMRWQUJMVXIKRO-HOTGVXAUSA-N 2 0 307.438 0.653 20 30 DCEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001267699096 939630523 /nfs/dbraw/zinc/63/05/23/939630523.db2.gz MEHMWJVKGUTQDP-OAHLLOKOSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CCC[NH+]1CCN(CCN(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001481471459 939885505 /nfs/dbraw/zinc/88/55/05/939885505.db2.gz RQKGKUZMPBSORF-UHFFFAOYSA-N 2 0 320.481 0.428 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]C[C@@H]2CCOC2)CC1 ZINC001268427443 940118585 /nfs/dbraw/zinc/11/85/85/940118585.db2.gz XKERKRNKRVTHIS-CVEARBPZSA-N 2 0 321.465 0.853 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C2(CNC(=O)[C@H]3CCC[N@H+]3C)CC2)C1=O ZINC001269388136 940697550 /nfs/dbraw/zinc/69/75/50/940697550.db2.gz GOHGLVGUBDVGQY-UONOGXRCSA-N 2 0 320.437 0.106 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001270778112 940986862 /nfs/dbraw/zinc/98/68/62/940986862.db2.gz YCCVYAFLSLYNGG-OAHLLOKOSA-N 2 0 307.438 0.749 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCOCC1 ZINC001271065686 941250830 /nfs/dbraw/zinc/25/08/30/941250830.db2.gz ZICPULFWLAEHQX-UHFFFAOYSA-N 2 0 307.438 0.607 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001482476355 941307694 /nfs/dbraw/zinc/30/76/94/941307694.db2.gz RYUXDBKDXLJODM-CABCVRRESA-N 2 0 324.469 0.457 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)C[N@H+](C)C1CCC1)C(C)C ZINC001482531599 941460373 /nfs/dbraw/zinc/46/03/73/941460373.db2.gz AZUOTWFLBVAPJC-MRXNPFEDSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCC[N@H+]1CCC[C@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001271987670 941501289 /nfs/dbraw/zinc/50/12/89/941501289.db2.gz KENVFAQKNOJGLW-KRWDZBQOSA-N 2 0 307.438 0.601 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001482781190 941662457 /nfs/dbraw/zinc/66/24/57/941662457.db2.gz HBBQVBTWDIXMBI-CYBMUJFWSA-N 2 0 303.834 0.538 20 30 DCEDRP C#CCC[NH2+]CCN(CCO)C(=O)c1ccc2c[nH+]cn2c1C ZINC001272202574 941808503 /nfs/dbraw/zinc/80/85/03/941808503.db2.gz SMGYNLHWAUSOBI-UHFFFAOYSA-N 2 0 314.389 0.690 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077443936 942458344 /nfs/dbraw/zinc/45/83/44/942458344.db2.gz CXEDJMQJLHJAOW-ZACQAIPSSA-N 2 0 321.465 0.988 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001484690396 943511920 /nfs/dbraw/zinc/51/19/20/943511920.db2.gz FLRZSGWICAXUGG-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001484983306 943643429 /nfs/dbraw/zinc/64/34/29/943643429.db2.gz VRXGRWQUFVZOOR-CVEARBPZSA-N 2 0 319.449 0.701 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001490958165 943688322 /nfs/dbraw/zinc/68/83/22/943688322.db2.gz PXUZHLZASPFOEO-BRWVUGGUSA-N 2 0 321.465 0.993 20 30 DCEDRP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001485715616 944094421 /nfs/dbraw/zinc/09/44/21/944094421.db2.gz CIRKBXOHKIKPMG-CHWSQXEVSA-N 2 0 303.834 0.944 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001485814173 944161568 /nfs/dbraw/zinc/16/15/68/944161568.db2.gz QCRQDJNSXAZBJA-KRWDZBQOSA-N 2 0 321.465 0.947 20 30 DCEDRP Cn1cc(C[N@@H+]2CCC3(CN(CC[NH+](C)C)C3)C2)cc1C#N ZINC001276463158 944180397 /nfs/dbraw/zinc/18/03/97/944180397.db2.gz CEXNOKALVSFGRP-UHFFFAOYSA-N 2 0 301.438 0.966 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CC2CC(C)C2)CC1 ZINC001486065956 944527738 /nfs/dbraw/zinc/52/77/38/944527738.db2.gz LLECFORDIHVYHR-VMBOVVBDSA-N 2 0 321.465 0.444 20 30 DCEDRP C#CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)C[N@@H+](C)CCC)CC2 ZINC001276928157 944597778 /nfs/dbraw/zinc/59/77/78/944597778.db2.gz JPELCEPULKYXNG-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001277080042 944654493 /nfs/dbraw/zinc/65/44/93/944654493.db2.gz ONFLKXYCIFWLHH-OAHLLOKOSA-N 2 0 307.438 0.749 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001317125989 944811635 /nfs/dbraw/zinc/81/16/35/944811635.db2.gz HMIUIPMDQXQDMQ-MCIONIFRSA-N 2 0 308.426 0.010 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001317416292 944961244 /nfs/dbraw/zinc/96/12/44/944961244.db2.gz TWBQWVHXCDWLPF-CABCVRRESA-N 2 0 322.453 0.095 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001277819713 944992681 /nfs/dbraw/zinc/99/26/81/944992681.db2.gz QAPWMTLLLKIJOV-HZPDHXFCSA-N 2 0 309.454 0.946 20 30 DCEDRP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246312986 945381236 /nfs/dbraw/zinc/38/12/36/945381236.db2.gz QDAUCZHJBJYQMN-OLZOCXBDSA-N 2 0 313.467 0.650 20 30 DCEDRP CCOC(=O)[C@@H]1C[N@@H+]([C@H]2CCN[C@H](C#N)C2)CCC12C[NH2+]C2 ZINC001247008242 945539570 /nfs/dbraw/zinc/53/95/70/945539570.db2.gz MUNLIWWMIUKYRN-IHRRRGAJSA-N 2 0 306.410 0.105 20 30 DCEDRP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCCC1 ZINC001319385235 945573704 /nfs/dbraw/zinc/57/37/04/945573704.db2.gz IVFBENFUVVDLHX-AWEZNQCLSA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001319526794 945611258 /nfs/dbraw/zinc/61/12/58/945611258.db2.gz ZBSBVSZAESKOKT-UONOGXRCSA-N 2 0 324.469 0.455 20 30 DCEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC#CCOC)C1 ZINC001278608358 945683413 /nfs/dbraw/zinc/68/34/13/945683413.db2.gz LADMAEUCAHNAFP-JKSUJKDBSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CCOC[C@H](O)C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC001251894329 945810649 /nfs/dbraw/zinc/81/06/49/945810649.db2.gz RQAPXCFFFOKGPW-MRXNPFEDSA-N 2 0 306.406 0.727 20 30 DCEDRP C=CCOC[C@H](O)CNc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001252458031 945937856 /nfs/dbraw/zinc/93/78/56/945937856.db2.gz DNDJAPMOHSPWQB-CQSZACIVSA-N 2 0 306.410 0.809 20 30 DCEDRP C=C[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001253576987 946131222 /nfs/dbraw/zinc/13/12/22/946131222.db2.gz JMQDTIWRZBECAI-KZNAEPCWSA-N 2 0 323.481 0.794 20 30 DCEDRP C#CC[N@H+]1CC[C@](O)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001278828824 946453242 /nfs/dbraw/zinc/45/32/42/946453242.db2.gz QVPCYRWUNPIIPO-KRWDZBQOSA-N 2 0 307.438 0.439 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001322544012 946716920 /nfs/dbraw/zinc/71/69/20/946716920.db2.gz RTVQYPSDTUMRBA-AWEZNQCLSA-N 2 0 322.453 0.047 20 30 DCEDRP CC#CCN(CCNC(=O)[C@H]1CCCC[N@H+]1CC)CCOC ZINC001279056377 946773588 /nfs/dbraw/zinc/77/35/88/946773588.db2.gz ZVVUSNQBFNDXER-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001323541569 947119232 /nfs/dbraw/zinc/11/92/32/947119232.db2.gz JNBXDJUSKRVDLR-ZIAGYGMSSA-N 2 0 322.453 0.257 20 30 DCEDRP CCCCCCCC[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC001262554203 947726669 /nfs/dbraw/zinc/72/66/69/947726669.db2.gz WAMUHOXXSSXOMR-AWEZNQCLSA-N 2 0 312.458 0.612 20 30 DCEDRP CC#CC[NH2+]C1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001325784754 947922441 /nfs/dbraw/zinc/92/24/41/947922441.db2.gz XDGBKGXPXRYFLT-MRXNPFEDSA-N 2 0 306.454 0.274 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001326436357 948162726 /nfs/dbraw/zinc/16/27/26/948162726.db2.gz CLJOLSQHEJFPAW-MRXNPFEDSA-N 2 0 309.454 0.805 20 30 DCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC001326589083 948206797 /nfs/dbraw/zinc/20/67/97/948206797.db2.gz NOMRCFGMNBZNSE-LXTVHRRPSA-N 2 0 308.426 0.895 20 30 DCEDRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC#CCOC)[NH+](C)C ZINC001326760081 948270839 /nfs/dbraw/zinc/27/08/39/948270839.db2.gz DYILOMIGQOJYSX-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001327148942 948407140 /nfs/dbraw/zinc/40/71/40/948407140.db2.gz WORBHDDHNLLAJA-CQSZACIVSA-N 2 0 310.442 0.211 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001327607590 948569845 /nfs/dbraw/zinc/56/98/45/948569845.db2.gz PPDKLSTVGRFDAQ-GOSISDBHSA-N 2 0 321.465 0.829 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]CC#CCOC)CC1 ZINC001328038610 948696334 /nfs/dbraw/zinc/69/63/34/948696334.db2.gz KONJGVHTENLFDP-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP C=C(C)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[NH+]2CCCC2)n1 ZINC001264027928 948840739 /nfs/dbraw/zinc/84/07/39/948840739.db2.gz CBVAKUFSIMEANB-UHFFFAOYSA-N 2 0 319.409 0.560 20 30 DCEDRP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC#CCOC ZINC001264067769 948858562 /nfs/dbraw/zinc/85/85/62/948858562.db2.gz QKFHYRAGOAAPIR-IXDOHACOSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001328795268 949101088 /nfs/dbraw/zinc/10/10/88/949101088.db2.gz AKUZOSHJMBXIHE-INIZCTEOSA-N 2 0 307.438 0.655 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001488804662 949200037 /nfs/dbraw/zinc/20/00/37/949200037.db2.gz MLQPYAHHGYRDMS-LUKYLMHMSA-N 2 0 321.465 0.993 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001488794536 949244153 /nfs/dbraw/zinc/24/41/53/949244153.db2.gz UDICOHPEXKPLMB-KFWWJZLASA-N 2 0 322.453 0.257 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265491785 949724598 /nfs/dbraw/zinc/72/45/98/949724598.db2.gz CKOQRQAXPSILHF-IHRRRGAJSA-N 2 0 322.453 0.256 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001265544306 949758472 /nfs/dbraw/zinc/75/84/72/949758472.db2.gz HFWBCCNXPNQAPU-YVSFHVDLSA-N 2 0 319.449 0.890 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001265597519 949804090 /nfs/dbraw/zinc/80/40/90/949804090.db2.gz ZWOLTBIIFLOHFD-HOTGVXAUSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001265685868 949873360 /nfs/dbraw/zinc/87/33/60/949873360.db2.gz FOKWEQCHVZBNIN-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001266182518 950450375 /nfs/dbraw/zinc/45/03/75/950450375.db2.gz JSKNSLAKVUFQOB-UONOGXRCSA-N 2 0 322.453 0.257 20 30 DCEDRP CN1CC[NH+](C2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)CC1 ZINC001330640986 950567158 /nfs/dbraw/zinc/56/71/58/950567158.db2.gz OYTOVVULCSCEMY-UHFFFAOYSA-N 2 0 318.465 0.228 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001490469817 950710495 /nfs/dbraw/zinc/71/04/95/950710495.db2.gz JZRVDTPKYAPHQK-KRWDZBQOSA-N 2 0 320.481 0.618 20 30 DCEDRP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001280095972 950770785 /nfs/dbraw/zinc/77/07/85/950770785.db2.gz SKSVVXJVHNVAHI-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001281612817 951563957 /nfs/dbraw/zinc/56/39/57/951563957.db2.gz JELKPJCZYUEZRO-MRXNPFEDSA-N 2 0 321.465 0.827 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001281675567 951597104 /nfs/dbraw/zinc/59/71/04/951597104.db2.gz MLBARDASHVOFCW-LSDHHAIUSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001332605123 951718943 /nfs/dbraw/zinc/71/89/43/951718943.db2.gz HCTBHDXPNXOALU-MRXNPFEDSA-N 2 0 303.406 0.404 20 30 DCEDRP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001332649156 951744033 /nfs/dbraw/zinc/74/40/33/951744033.db2.gz ZDZZTPQIKQWDHG-HNNXBMFYSA-N 2 0 307.438 0.389 20 30 DCEDRP COCC#CC[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001333139801 951931444 /nfs/dbraw/zinc/93/14/44/951931444.db2.gz BXRBENHEDIVWGG-GPANFISMSA-N 2 0 309.454 0.801 20 30 DCEDRP C=C(Cl)C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001333207175 951959164 /nfs/dbraw/zinc/95/91/64/951959164.db2.gz QULQTIHEPBZUFG-ZDUSSCGKSA-N 2 0 303.834 0.898 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)C[C@H]2CCOC2)CC1 ZINC001275729802 952411677 /nfs/dbraw/zinc/41/16/77/952411677.db2.gz PHYZFTDJMNIHEJ-JKSUJKDBSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001336894217 952781491 /nfs/dbraw/zinc/78/14/91/952781491.db2.gz MNJXLHFQKPOAND-NWDGAFQWSA-N 2 0 320.359 0.863 20 30 DCEDRP C#CC[NH2+]CCCOC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001276170787 952964976 /nfs/dbraw/zinc/96/49/76/952964976.db2.gz OMMILHFXQIIDAE-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001341189885 953216034 /nfs/dbraw/zinc/21/60/34/953216034.db2.gz CTABJUOXMROWAU-ZDUSSCGKSA-N 2 0 302.850 0.648 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)NCCCCCN1CC[NH2+]CC1 ZINC001342598813 953297536 /nfs/dbraw/zinc/29/75/36/953297536.db2.gz XRWHBXRKPJMRRY-UHFFFAOYSA-N 2 0 306.454 0.181 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001282203530 953522641 /nfs/dbraw/zinc/52/26/41/953522641.db2.gz OMNYOKWBJHRESM-GJZGRUSLSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[C@H]([NH2+]CCO)C(C)C)CC1 ZINC001282573295 953627741 /nfs/dbraw/zinc/62/77/41/953627741.db2.gz HILHHPJGVRXXJV-KRWDZBQOSA-N 2 0 323.481 0.787 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC001345631286 953695181 /nfs/dbraw/zinc/69/51/81/953695181.db2.gz BGFWLBAOSLRBRO-OAHLLOKOSA-N 2 0 323.485 0.572 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001283897988 954707137 /nfs/dbraw/zinc/70/71/37/954707137.db2.gz HDCLSPYKFQTHBJ-GDBMZVCRSA-N 2 0 307.438 0.557 20 30 DCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCC[NH+]1CCC(O)CC1)C2 ZINC001349815935 954894087 /nfs/dbraw/zinc/89/40/87/954894087.db2.gz MAPLDKNCHHXJSG-UUCFBXCCSA-N 2 0 320.437 0.089 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001284446200 955102196 /nfs/dbraw/zinc/10/21/96/955102196.db2.gz COCSJXHUOWZXJG-HOTGVXAUSA-N 2 0 309.454 0.683 20 30 DCEDRP C=CC[C@@]1(C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CCC[NH2+]1 ZINC001354696621 956479558 /nfs/dbraw/zinc/47/95/58/956479558.db2.gz QDFLNXOBWGVSMH-YOEHRIQHSA-N 2 0 307.438 0.960 20 30 DCEDRP CC#CC[N@H+](C)CCOCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001316765278 960320618 /nfs/dbraw/zinc/32/06/18/960320618.db2.gz MYKKLJGAKZIDIB-INIZCTEOSA-N 2 0 309.454 0.758 20 30 DCEDRP C#CCC[NH+]1CCN(CCCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001316958745 960327264 /nfs/dbraw/zinc/32/72/64/960327264.db2.gz IHUDSQHDVLGMAD-KRWDZBQOSA-N 2 0 320.481 0.618 20 30 DCEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001371380638 966946977 /nfs/dbraw/zinc/94/69/77/966946977.db2.gz SCFRQRAEDOSAKS-GFCCVEGCSA-N 2 0 313.833 0.905 20 30 DCEDRP C=C(Cl)CN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001449188060 1014280291 /nfs/dbraw/zinc/28/02/91/1014280291.db2.gz JJZHNGLITZRELR-MGPQQGTHSA-N 2 0 317.861 0.830 20 30 DCEDRP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001507031761 1015903939 /nfs/dbraw/zinc/90/39/39/1015903939.db2.gz XOBSVSWVNTXVLA-KRWDZBQOSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001502869399 1016110065 /nfs/dbraw/zinc/11/00/65/1016110065.db2.gz ODWXYBBORQVLRO-OAHLLOKOSA-N 2 0 307.438 0.436 20 30 DCEDRP C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001507207151 1016124421 /nfs/dbraw/zinc/12/44/21/1016124421.db2.gz HBMWOEQJDGUKNO-HOCLYGCPSA-N 2 0 307.438 0.483 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001507411581 1016310410 /nfs/dbraw/zinc/31/04/10/1016310410.db2.gz ROYGGGXHICCJGO-CVEARBPZSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCOC)C2)CC1 ZINC001507427823 1016321135 /nfs/dbraw/zinc/32/11/35/1016321135.db2.gz LQUOYORDLLNRHO-DOTOQJQBSA-N 2 0 321.465 0.853 20 30 DCEDRP CN(C[C@@H](O)C[NH2+]Cc1cccc(C#N)c1)C(=O)CC[NH+](C)C ZINC001507502131 1016426226 /nfs/dbraw/zinc/42/62/26/1016426226.db2.gz GTJRLVJSFUPOMJ-INIZCTEOSA-N 2 0 318.421 0.419 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001420176557 1001978161 /nfs/dbraw/zinc/97/81/61/1001978161.db2.gz UPNHXIXFCPLUIE-GFCCVEGCSA-N 2 0 305.850 0.784 20 30 DCEDRP C#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001508178225 1016686877 /nfs/dbraw/zinc/68/68/77/1016686877.db2.gz KMYWTJFWXPGSDD-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1C#N ZINC001439022720 1006373374 /nfs/dbraw/zinc/37/33/74/1006373374.db2.gz FPKZQYYSQFXGCN-HNNXBMFYSA-N 2 0 304.394 0.077 20 30 DCEDRP CC#CC[NH2+]CCCOC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001506494559 1017322224 /nfs/dbraw/zinc/32/22/24/1017322224.db2.gz PWJWMTPMVYSCSM-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC001499855483 1018106593 /nfs/dbraw/zinc/10/65/93/1018106593.db2.gz WKBVHEDGURCJKL-HOTGVXAUSA-N 2 0 319.449 0.701 20 30 DCEDRP C=CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001500169309 1018269328 /nfs/dbraw/zinc/26/93/28/1018269328.db2.gz ITXKZNAFFUMLHL-INIZCTEOSA-N 2 0 308.470 0.731 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@](C)(C[NH2+]CCOC)C2)CC1 ZINC001500404266 1018439882 /nfs/dbraw/zinc/43/98/82/1018439882.db2.gz BPKGTAUAIJCIOR-SFHVURJKSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001480476263 1018570551 /nfs/dbraw/zinc/57/05/51/1018570551.db2.gz XGTMORCFDYUNPV-CHWSQXEVSA-N 2 0 310.442 0.256 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H](C)CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001480809122 1018933831 /nfs/dbraw/zinc/93/38/31/1018933831.db2.gz RUMSQKJTXVLFBX-HUUCEWRRSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]C[C@H]2CCOC2)CC1 ZINC001496238600 1019186258 /nfs/dbraw/zinc/18/62/58/1019186258.db2.gz MDNTYKHLHWYFAI-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001493238690 1019234769 /nfs/dbraw/zinc/23/47/69/1019234769.db2.gz CZEZNHUAABOAMB-KGLIPLIRSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001501634674 1019345261 /nfs/dbraw/zinc/34/52/61/1019345261.db2.gz IVIVVACRGHWXFS-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001498769036 1019411944 /nfs/dbraw/zinc/41/19/44/1019411944.db2.gz GUDOQPLTZRYSTN-HNNXBMFYSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCNC(=O)NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595901642 396679660 /nfs/dbraw/zinc/67/96/60/396679660.db2.gz ZLBQVFFSTCDYIK-AWEZNQCLSA-N 2 0 308.426 0.710 20 30 DCEDRP [NH2+]=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCOCC1 ZINC000104173499 415623612 /nfs/dbraw/zinc/62/36/12/415623612.db2.gz DBZXXUBLNQRYCW-UHFFFAOYSA-N 2 0 312.483 0.995 20 30 DCEDRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329379747 416166912 /nfs/dbraw/zinc/16/69/12/416166912.db2.gz PNEVERAPTOZKIP-HNNXBMFYSA-N 2 0 309.458 0.363 20 30 DCEDRP C[C@@H](NC(=O)N1CCC([N@H+](C)CCO)CC1)C1=CC[NH+](C)CC1 ZINC000330084808 416196406 /nfs/dbraw/zinc/19/64/06/416196406.db2.gz REOFMYMUOQJTTR-CQSZACIVSA-N 2 0 324.469 0.939 20 30 DCEDRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC000329329301 416163392 /nfs/dbraw/zinc/16/33/92/416163392.db2.gz YINCZVPXXCPYQD-HIFRSBDPSA-N 2 0 310.442 0.861 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000184408250 416253046 /nfs/dbraw/zinc/25/30/46/416253046.db2.gz GYAORTVVUYLWHV-MRXNPFEDSA-N 2 0 320.481 0.474 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000419728281 416407099 /nfs/dbraw/zinc/40/70/99/416407099.db2.gz MPHNGHBXIHGLSV-OKILXGFUSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC1 ZINC000491349008 416596648 /nfs/dbraw/zinc/59/66/48/416596648.db2.gz GCIGOIJMCOBABX-UHFFFAOYSA-N 2 0 322.497 0.674 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@@H+]2CCSC[C@H]2C2CCC2)CC1 ZINC000491505239 416603897 /nfs/dbraw/zinc/60/38/97/416603897.db2.gz KTOAUFFBICPUGH-INIZCTEOSA-N 2 0 321.490 0.981 20 30 DCEDRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424154720 416617559 /nfs/dbraw/zinc/61/75/59/416617559.db2.gz LTUULTHHNOOUJG-UONOGXRCSA-N 2 0 323.441 0.066 20 30 DCEDRP C#CC[NH+](C)CCCNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000491741461 416621758 /nfs/dbraw/zinc/62/17/58/416621758.db2.gz IMNINTKMVJVBJA-HUUCEWRRSA-N 2 0 310.442 0.038 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H](COC)CC2)CC1 ZINC000491750677 416624134 /nfs/dbraw/zinc/62/41/34/416624134.db2.gz WXKGRLZDEZOLKO-INIZCTEOSA-N 2 0 307.438 0.512 20 30 DCEDRP C=C[C@H](CO)[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000662168128 418386229 /nfs/dbraw/zinc/38/62/29/418386229.db2.gz UWFILAPKBMMEDZ-UAGQMJEPSA-N 2 0 317.433 0.902 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(NC[C@@]1(O)CCSC1)=[NH+]C ZINC000262432708 276170616 /nfs/dbraw/zinc/17/06/16/276170616.db2.gz SRGISINKELQNAT-OCCSQVGLSA-N 2 0 300.472 0.504 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000491475139 333104181 /nfs/dbraw/zinc/10/41/81/333104181.db2.gz UBGIKXLZBGTXOU-INIZCTEOSA-N 2 0 307.438 0.295 20 30 DCEDRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]([NH3+])CCCC#N)nc2)CC1 ZINC000563061031 333226575 /nfs/dbraw/zinc/22/65/75/333226575.db2.gz VDYJNWVKZVAKIH-CQSZACIVSA-N 2 0 316.409 0.793 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC000352903111 336375516 /nfs/dbraw/zinc/37/55/16/336375516.db2.gz YCVZBIVBWQZMTF-HUUCEWRRSA-N 2 0 324.469 0.733 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)OC(C)(C)C ZINC000303778039 340346144 /nfs/dbraw/zinc/34/61/44/340346144.db2.gz JHGBTABSAFOIPS-GFCCVEGCSA-N 2 0 313.446 0.900 20 30 DCEDRP C=CCOCC[NH+]1CC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001567409417 1160356009 /nfs/dbraw/zinc/35/60/09/1160356009.db2.gz HIGOMNWISPUGQB-HZPDHXFCSA-N 2 0 309.454 0.969 20 30 DCEDRP C[C@H]1C[NH+]=C(NCCN2CC[NH+](Cc3ccccc3)CC2)N1 ZINC000262686269 533990500 /nfs/dbraw/zinc/99/05/00/533990500.db2.gz YNXIOUBYSJZPFL-HNNXBMFYSA-N 2 0 301.438 0.742 20 30 DCEDRP C[NH+]=C(NCCNC(=O)C1CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262438529 526359305 /nfs/dbraw/zinc/35/93/05/526359305.db2.gz GXHIKAJLYUYQKD-OAHLLOKOSA-N 2 0 321.469 0.648 20 30 DCEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000175577012 526371346 /nfs/dbraw/zinc/37/13/46/526371346.db2.gz MZAYHYDLJSHTLP-KBPBESRZSA-N 2 0 304.442 0.737 20 30 DCEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCO[C@H](COC)C1 ZINC000261764447 526371483 /nfs/dbraw/zinc/37/14/83/526371483.db2.gz DFUXHLOGAIWQJL-ZFWWWQNUSA-N 2 0 310.442 0.393 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C(=O)NC)c1 ZINC000264090623 529100551 /nfs/dbraw/zinc/10/05/51/529100551.db2.gz KVYOIJSOFJUNLJ-HNNXBMFYSA-N 2 0 317.437 0.935 20 30 DCEDRP C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001672496725 1175117848 /nfs/dbraw/zinc/11/78/48/1175117848.db2.gz YCMDWLONLBMOTH-QGZVFWFLSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N2CCOCC2)C1 ZINC000980454772 660945553 /nfs/dbraw/zinc/94/55/53/660945553.db2.gz YVXSJLCINMIURG-CVEARBPZSA-N 2 0 305.422 0.263 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001028093523 661153075 /nfs/dbraw/zinc/15/30/75/661153075.db2.gz MRKGKZFVFUGWGC-JKSUJKDBSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000981772014 661214202 /nfs/dbraw/zinc/21/42/02/661214202.db2.gz JOIQQMYRBJHRAW-MRXNPFEDSA-N 2 0 301.434 0.886 20 30 DCEDRP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC000949244451 657490321 /nfs/dbraw/zinc/49/03/21/657490321.db2.gz HTBOAWYYBIHDDU-MRXNPFEDSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001023499753 657934937 /nfs/dbraw/zinc/93/49/37/657934937.db2.gz GIJKMXXEOWXXBG-UERKLNTKSA-N 2 0 317.433 0.311 20 30 DCEDRP CC#CCN1CCO[C@@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000972638896 658140677 /nfs/dbraw/zinc/14/06/77/658140677.db2.gz OPSZIUYEHOQIKQ-WMZOPIPTSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC001025781817 659556414 /nfs/dbraw/zinc/55/64/14/659556414.db2.gz RRMRSXJJSSJIAC-DMRKSPOLSA-N 2 0 301.434 0.931 20 30 DCEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001028333176 661462201 /nfs/dbraw/zinc/46/22/01/661462201.db2.gz FHGKWGYKYXJVNW-KRWDZBQOSA-N 2 0 301.434 0.936 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001028643495 661716315 /nfs/dbraw/zinc/71/63/15/661716315.db2.gz OVLPZKFGUPNOQW-GJZGRUSLSA-N 2 0 300.406 0.907 20 30 DCEDRP C[NH+]=C(NCC1(O)CCC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000262775412 662576496 /nfs/dbraw/zinc/57/64/96/662576496.db2.gz JBUVYSAHJUZWGP-CQSZACIVSA-N 2 0 324.469 0.567 20 30 DCEDRP CN(C)C(=[NH+]CC1(N2CCOCC2)CC[NH+](C)CC1)N(C)C ZINC000263090504 662629226 /nfs/dbraw/zinc/62/92/26/662629226.db2.gz ITDKQZIJDXDFRB-UHFFFAOYSA-N 2 0 311.474 0.262 20 30 DCEDRP Cc1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1C#N ZINC000905578984 663566597 /nfs/dbraw/zinc/56/65/97/663566597.db2.gz GQQXFRCCVHESQO-KRWDZBQOSA-N 2 0 302.422 0.565 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000941345359 665978459 /nfs/dbraw/zinc/97/84/59/665978459.db2.gz SPMIIZZIVNLPIC-MRXNPFEDSA-N 2 0 306.454 0.485 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCO)[C@H]2C)CC1 ZINC000994498679 665116784 /nfs/dbraw/zinc/11/67/84/665116784.db2.gz NTMVIQAFAYWBFG-HOCLYGCPSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCO)[C@@H]2C)CC1 ZINC000994498681 665116792 /nfs/dbraw/zinc/11/67/92/665116792.db2.gz NTMVIQAFAYWBFG-ZBFHGGJFSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CCN(C(=O)N[C@@H]1CC[N@@H+](CCOC)C1)C1CC[NH+](C)CC1 ZINC000919633685 665224718 /nfs/dbraw/zinc/22/47/18/665224718.db2.gz CHBIHOLIHXHGRP-OAHLLOKOSA-N 2 0 322.453 0.446 20 30 DCEDRP C#CCC[NH+]1CC(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001032043623 666213210 /nfs/dbraw/zinc/21/32/10/666213210.db2.gz KCQCYLJLXYZTCM-UHFFFAOYSA-N 2 0 303.410 0.130 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033278516 666659102 /nfs/dbraw/zinc/65/91/02/666659102.db2.gz POMVKSJNHABXKA-NDUQDZPOSA-N 2 0 317.433 0.406 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CCCO)C2)CC1 ZINC001033683415 666794635 /nfs/dbraw/zinc/79/46/35/666794635.db2.gz HAXGWEPNWRCALK-INIZCTEOSA-N 2 0 307.438 0.247 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1(C)C ZINC000996624976 666840034 /nfs/dbraw/zinc/84/00/34/666840034.db2.gz QJTBAVUZYHRQEI-HUUCEWRRSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC000997430622 667291528 /nfs/dbraw/zinc/29/15/28/667291528.db2.gz FOJWBJPLTQPJTF-ZBFHGGJFSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC001036034831 667421814 /nfs/dbraw/zinc/42/18/14/667421814.db2.gz CNESKRUANQGKLQ-LSDHHAIUSA-N 2 0 317.437 0.518 20 30 DCEDRP C=CCCN(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867552109 667466456 /nfs/dbraw/zinc/46/64/56/667466456.db2.gz ZLWSESCTJRUTEH-HUUCEWRRSA-N 2 0 324.469 0.219 20 30 DCEDRP CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@H]1C[NH+]2CCC1CC2 ZINC000884453089 667547902 /nfs/dbraw/zinc/54/79/02/667547902.db2.gz GDUYMSCUGGVGBT-DGNOSDGRSA-N 2 0 302.422 0.678 20 30 DCEDRP C#CCC[NH+]1CCC(NC(=O)CN2CC[NH+](CC)CC2)CC1 ZINC000747404430 667902313 /nfs/dbraw/zinc/90/23/13/667902313.db2.gz KGSOPUWMCFLUDP-UHFFFAOYSA-N 2 0 306.454 0.228 20 30 DCEDRP C[NH+]=C(NCCCC[NH+]1CCN(C)CC1)NCc1ccco1 ZINC000103338401 667950697 /nfs/dbraw/zinc/95/06/97/667950697.db2.gz AYRYCQGQPRFZEQ-UHFFFAOYSA-N 2 0 307.442 0.972 20 30 DCEDRP C#CCN1CCC[C@@H](NC(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000890362631 668119800 /nfs/dbraw/zinc/11/98/00/668119800.db2.gz FXBMQZSOYINFLV-OAGGEKHMSA-N 2 0 320.437 0.246 20 30 DCEDRP CC1(C)[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925603131 668334081 /nfs/dbraw/zinc/33/40/81/668334081.db2.gz IAMXNKKSBOIBSW-NLFTUWIRSA-N 2 0 318.421 0.879 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000876775636 668507668 /nfs/dbraw/zinc/50/76/68/668507668.db2.gz CCJJMRJQDNGXEO-STQMWFEESA-N 2 0 301.818 0.637 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)CCN2CC[NH+](CC)CC2)CC1 ZINC000928655253 668612422 /nfs/dbraw/zinc/61/24/22/668612422.db2.gz NZUQRDBIZQIISE-UHFFFAOYSA-N 2 0 306.454 0.228 20 30 DCEDRP C#CCNC(=O)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771817680 668753693 /nfs/dbraw/zinc/75/36/93/668753693.db2.gz CNRJXPNYHOPQPF-UHFFFAOYSA-N 2 0 314.433 0.668 20 30 DCEDRP CCC[NH+]1CCC([NH2+]CCNC(=O)C2N=CC=CC2=O)CC1 ZINC000775408277 668862165 /nfs/dbraw/zinc/86/21/65/668862165.db2.gz IXYOPXOEBHKFPA-FOCLMDBBSA-N 2 0 306.410 0.977 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000948070567 670053305 /nfs/dbraw/zinc/05/33/05/670053305.db2.gz QRJAEHBRBZAGKG-HOCLYGCPSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CCC[NH+]1CCOC2(CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000949320668 670312403 /nfs/dbraw/zinc/31/24/03/670312403.db2.gz RFYJANDWKFIZKU-MRXNPFEDSA-N 2 0 319.449 0.797 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000855403437 670704757 /nfs/dbraw/zinc/70/47/57/670704757.db2.gz NKULMRZNLONUNB-QGZVFWFLSA-N 2 0 317.433 0.987 20 30 DCEDRP C[NH+](C)C[C@@H]1CN(Cn2cccc(C#N)c2=O)C[C@H]1C[NH+](C)C ZINC000872636940 685395225 /nfs/dbraw/zinc/39/52/25/685395225.db2.gz RKTVLYIUPIKURG-HZPDHXFCSA-N 2 0 317.437 0.349 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC000958214372 687446471 /nfs/dbraw/zinc/44/64/71/687446471.db2.gz GNSVWRBWFPGBQA-HUUCEWRRSA-N 2 0 305.422 0.047 20 30 DCEDRP C#CC[N@H+]1C[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[C@H](O)C1 ZINC000958717102 687871524 /nfs/dbraw/zinc/87/15/24/687871524.db2.gz PFBHXVWDNCGBAN-IAGOWNOFSA-N 2 0 315.417 0.404 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CC(C)C)C[C@@H]2O)CC1 ZINC000958723225 687875847 /nfs/dbraw/zinc/87/58/47/687875847.db2.gz DPPBRMGCJYPISC-IRXDYDNUSA-N 2 0 321.465 0.397 20 30 DCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC000960527421 688405639 /nfs/dbraw/zinc/40/56/39/688405639.db2.gz RIIRZIFFNRSIKG-ZSHCYNCHSA-N 2 0 301.434 0.932 20 30 DCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc(C)[nH]c2C1 ZINC000960653484 688432232 /nfs/dbraw/zinc/43/22/32/688432232.db2.gz ZRVSRFCUBVSNDI-WVZRYYJFSA-N 2 0 312.417 0.893 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2C[C@@H]2CCOC2)CC1 ZINC001039042879 694283959 /nfs/dbraw/zinc/28/39/59/694283959.db2.gz YJZKOBOYIAZNND-DOTOQJQBSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2C[C@@H](C)OC)CC1 ZINC001039042219 694284365 /nfs/dbraw/zinc/28/43/65/694284365.db2.gz NRBUNUFIMRDLMT-GDBMZVCRSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)COC)C2)CC1 ZINC001016330908 692654658 /nfs/dbraw/zinc/65/46/58/692654658.db2.gz HRMIXQKKJMVJOH-GOEBONIOSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760439 694661110 /nfs/dbraw/zinc/66/11/10/694661110.db2.gz AXFUFTNHMLDLLJ-CVEARBPZSA-N 2 0 319.449 0.960 20 30 DCEDRP C=CC[N@H+]1CCC2(CN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)C1 ZINC001073050050 694698809 /nfs/dbraw/zinc/69/88/09/694698809.db2.gz HLJQQCKZGBVGDS-UHFFFAOYSA-N 2 0 317.437 0.779 20 30 DCEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001075804007 694978045 /nfs/dbraw/zinc/97/80/45/694978045.db2.gz PISAFMKZZYOKMA-GOEBONIOSA-N 2 0 317.437 0.777 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001570418734 1162509730 /nfs/dbraw/zinc/50/97/30/1162509730.db2.gz AEYWLTLBXAUIJK-UHFFFAOYSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001570718344 1162599256 /nfs/dbraw/zinc/59/92/56/1162599256.db2.gz UMSCFPAZQMFUAP-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001571398963 1162731640 /nfs/dbraw/zinc/73/16/40/1162731640.db2.gz HUMQCDWXFFWXQD-HNNXBMFYSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC#CC)C[C@H]2C)CC1 ZINC001571492383 1162781719 /nfs/dbraw/zinc/78/17/19/1162781719.db2.gz CPPDFBIOYMQUPS-NVXWUHKLSA-N 2 0 301.434 0.934 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001571546720 1162805100 /nfs/dbraw/zinc/80/51/00/1162805100.db2.gz SPVRSEUFZMOKNN-CVEARBPZSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[NH2+]C[C@@H](C)CC)CC1 ZINC001571597012 1162839685 /nfs/dbraw/zinc/83/96/85/1162839685.db2.gz DINPMGCKIVCONE-DOTOQJQBSA-N 2 0 323.481 0.787 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001671297565 1157442231 /nfs/dbraw/zinc/44/22/31/1157442231.db2.gz CUSZRGYVVACMKX-RBSFLKMASA-N 2 0 322.453 0.209 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]C[C@H](C)O)C(C)(C)C)CC1 ZINC001571637648 1162869424 /nfs/dbraw/zinc/86/94/24/1162869424.db2.gz AJQPAFKCQXRLCC-GOEBONIOSA-N 2 0 323.481 0.833 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001755008263 1157905293 /nfs/dbraw/zinc/90/52/93/1157905293.db2.gz MUHDLJDSJYELFA-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001752310350 1157909292 /nfs/dbraw/zinc/90/92/92/1157909292.db2.gz LNOMTMVDRMWJBP-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001752812856 1158249441 /nfs/dbraw/zinc/24/94/41/1158249441.db2.gz RQLOWHVBRSYCKE-HZPDHXFCSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CCOC2CCC2)CC1 ZINC001691623530 1158362647 /nfs/dbraw/zinc/36/26/47/1158362647.db2.gz ZXBYIJAOTOGHMU-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001566653045 1159845524 /nfs/dbraw/zinc/84/55/24/1159845524.db2.gz AATRIPLEHCWTBX-UHFFFAOYSA-N 2 0 320.481 0.475 20 30 DCEDRP CC#CCN1CC[NH+](CCCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001566643748 1160108212 /nfs/dbraw/zinc/10/82/12/1160108212.db2.gz SLOANEQHUNXVJE-UHFFFAOYSA-N 2 0 320.481 0.475 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001566724386 1160137297 /nfs/dbraw/zinc/13/72/97/1160137297.db2.gz HQLVFRBVSWCMCE-ZBFHGGJFSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]C[C@@H](C)OC)CC1 ZINC001567241061 1160282498 /nfs/dbraw/zinc/28/24/98/1160282498.db2.gz SNFAOGZKAYAZQN-LSDHHAIUSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CCn2cccn2)CC1 ZINC001567324478 1160312017 /nfs/dbraw/zinc/31/20/17/1160312017.db2.gz PTTQTJIOWSVWHN-UHFFFAOYSA-N 2 0 317.437 0.276 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]C[C@@H]2CCOC2)CC1 ZINC001567611863 1160440973 /nfs/dbraw/zinc/44/09/73/1160440973.db2.gz XOUXHZKOPBOELO-HNNXBMFYSA-N 2 0 307.438 0.416 20 30 DCEDRP COCC#CC[N@H+](C)CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001568506982 1160663264 /nfs/dbraw/zinc/66/32/64/1160663264.db2.gz YYILRBNUBVYDCV-UHFFFAOYSA-N 2 0 309.454 0.902 20 30 DCEDRP C=CCNC(=O)CN(C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001569117866 1160950393 /nfs/dbraw/zinc/95/03/93/1160950393.db2.gz JYDKCLCNSCADAT-BFHYXJOUSA-N 2 0 310.442 0.065 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001569759947 1161230727 /nfs/dbraw/zinc/23/07/27/1161230727.db2.gz PWJUTAPTPUTAFV-FUHWJXTLSA-N 2 0 321.465 0.827 20 30 DCEDRP CC#CCN1CCC[C@@](CO)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001569899906 1161305071 /nfs/dbraw/zinc/30/50/71/1161305071.db2.gz DMJTZJNOKKWARD-NVXWUHKLSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001570285833 1161542705 /nfs/dbraw/zinc/54/27/05/1161542705.db2.gz OFMRSYNDGQRKDY-AEFFLSMTSA-N 2 0 321.465 0.827 20 30 DCEDRP C=C(C)CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001570294557 1161550151 /nfs/dbraw/zinc/55/01/51/1161550151.db2.gz WOXSOPBRMGXWLS-WBVHZDCISA-N 2 0 309.454 0.847 20 30 DCEDRP CC#CC[NH2+][C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001570344481 1161575260 /nfs/dbraw/zinc/57/52/60/1161575260.db2.gz PKNVMEGFIBOUOG-CVEARBPZSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH+]1CCC(NC(=O)CCNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC001574583725 1163733689 /nfs/dbraw/zinc/73/36/89/1163733689.db2.gz MGEWIFFQUDAZDW-INIZCTEOSA-N 2 0 322.453 0.080 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC001574674108 1163739287 /nfs/dbraw/zinc/73/92/87/1163739287.db2.gz VHJHAGAFPYWFKR-QWHCGFSZSA-N 2 0 317.355 0.927 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001574848735 1163770283 /nfs/dbraw/zinc/77/02/83/1163770283.db2.gz DYMQWCRWQZWZFE-CYBMUJFWSA-N 2 0 309.410 0.296 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC001574851219 1163771846 /nfs/dbraw/zinc/77/18/46/1163771846.db2.gz BPIJNFYUSQMGQF-LBPRGKRZSA-N 2 0 303.834 0.808 20 30 DCEDRP C=CC[C@H](C(=O)OC)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001574890012 1163786627 /nfs/dbraw/zinc/78/66/27/1163786627.db2.gz VZEPNEMXTBEIDS-RBSFLKMASA-N 2 0 323.437 0.684 20 30 DCEDRP C[NH+]1CCC(C#N)(NC(=O)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC001578522711 1165041027 /nfs/dbraw/zinc/04/10/27/1165041027.db2.gz ADZVPEJERNEJDB-UHFFFAOYSA-N 2 0 312.417 0.979 20 30 DCEDRP N#CC1(C[C@H](O)C[NH+]2CCC3(CC2)C[NH2+]CCO3)CCOCC1 ZINC001580038640 1165481934 /nfs/dbraw/zinc/48/19/34/1165481934.db2.gz PNNLFIOLZOGVHZ-HNNXBMFYSA-N 2 0 323.437 0.512 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC001639134054 1171823890 /nfs/dbraw/zinc/82/38/90/1171823890.db2.gz LMVNXGYSRFQYSX-UHFFFAOYSA-N 2 0 308.426 0.058 20 30 DCEDRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001646149804 1172274136 /nfs/dbraw/zinc/27/41/36/1172274136.db2.gz CEOHBKHUMOTOGV-LQCZDEPNSA-N 2 0 304.438 0.924 20 30 DCEDRP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC#CCOC ZINC001656733888 1173880306 /nfs/dbraw/zinc/88/03/06/1173880306.db2.gz JKQDZRPVBFRZCR-DLBZAZTESA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001656784857 1173885045 /nfs/dbraw/zinc/88/50/45/1173885045.db2.gz ZYQJDXJDCOUSDK-JKSUJKDBSA-N 2 0 309.454 0.800 20 30 DCEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001661369718 1174119275 /nfs/dbraw/zinc/11/92/75/1174119275.db2.gz QNZFDABRHNDBHH-RDJZCZTQSA-N 2 0 307.438 0.865 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001661995224 1174173886 /nfs/dbraw/zinc/17/38/86/1174173886.db2.gz DZACZSSBGGAYEL-HUUCEWRRSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001662780314 1174240745 /nfs/dbraw/zinc/24/07/45/1174240745.db2.gz XSDNKDZUBKUXFA-UONOGXRCSA-N 2 0 310.442 0.257 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001662790672 1174241868 /nfs/dbraw/zinc/24/18/68/1174241868.db2.gz JRVAZFSQQDPYRT-CVEARBPZSA-N 2 0 319.449 0.749 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001663628556 1174336569 /nfs/dbraw/zinc/33/65/69/1174336569.db2.gz DCQMZUXVENPJGH-KRWDZBQOSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CCNC(=O)Cn2cncc2C)C1 ZINC001664726360 1174452159 /nfs/dbraw/zinc/45/21/59/1174452159.db2.gz IVXFIFIHGMRZMS-MRXNPFEDSA-N 2 0 318.421 0.670 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H](CC)CNC(=O)C1([NH+](C)C)CCC1 ZINC001665798913 1174564694 /nfs/dbraw/zinc/56/46/94/1174564694.db2.gz PGDMMFWYLZXXNZ-UONOGXRCSA-N 2 0 322.453 0.093 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]CC#CCOC)CC[N@@H+]1C ZINC001668065291 1174752874 /nfs/dbraw/zinc/75/28/74/1174752874.db2.gz JEDDEGHHTWXJIV-OWCLPIDISA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001672247488 1175092374 /nfs/dbraw/zinc/09/23/74/1175092374.db2.gz WQPHBHVNLCLZFM-CABCVRRESA-N 2 0 322.453 0.211 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](CC[NH2+]C[C@H](C)O)C2)CC1 ZINC001672914995 1175161775 /nfs/dbraw/zinc/16/17/75/1175161775.db2.gz CHKWKRWBMWYKCO-HOTGVXAUSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1OCC ZINC001691750143 1175217842 /nfs/dbraw/zinc/21/78/42/1175217842.db2.gz PSAPJJSDDVZDRF-QBPKDAKJSA-N 2 0 321.465 0.803 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001673671349 1175221042 /nfs/dbraw/zinc/22/10/42/1175221042.db2.gz LCPOZPYBKZVJIG-BFYDXBDKSA-N 2 0 307.438 0.293 20 30 DCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001673675681 1175222021 /nfs/dbraw/zinc/22/20/21/1175222021.db2.gz FRVMNVWPNDRPCA-WBVHZDCISA-N 2 0 309.454 0.990 20 30 DCEDRP C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001675598864 1175377718 /nfs/dbraw/zinc/37/77/18/1175377718.db2.gz JYDVPHGQNHFUOR-HUUCEWRRSA-N 2 0 305.422 0.454 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCOC)C[C@H]2C)CC1 ZINC001676784614 1175490323 /nfs/dbraw/zinc/49/03/23/1175490323.db2.gz XZLOJYQGNFGFDB-ZBFHGGJFSA-N 2 0 307.438 0.557 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC001676929717 1175503827 /nfs/dbraw/zinc/50/38/27/1175503827.db2.gz CTASKJQBQYMJJF-OAHLLOKOSA-N 2 0 310.442 0.304 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001677121335 1175530772 /nfs/dbraw/zinc/53/07/72/1175530772.db2.gz RMQHMCXHPPAUBA-HOTGVXAUSA-N 2 0 309.454 0.683 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](CC#C)CCO)C1 ZINC001689204110 1176739405 /nfs/dbraw/zinc/73/94/05/1176739405.db2.gz FXVIXBMZHUEURB-IRXDYDNUSA-N 2 0 317.433 0.003 20 30 DCEDRP C#CC[N@@H+](C)CCOCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001689254484 1176770504 /nfs/dbraw/zinc/77/05/04/1176770504.db2.gz YKTVERUDQPHHSI-HZPDHXFCSA-N 2 0 309.454 0.899 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001690336687 1177217361 /nfs/dbraw/zinc/21/73/61/1177217361.db2.gz OHTFURNHDDTEQI-ZNMIVQPWSA-N 2 0 322.453 0.398 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H](CC)OC)C2)CC1 ZINC001690367791 1177223296 /nfs/dbraw/zinc/22/32/96/1177223296.db2.gz BWFXAKVUJKAFMK-IXDOHACOSA-N 2 0 321.465 0.993 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001690477379 1177251856 /nfs/dbraw/zinc/25/18/56/1177251856.db2.gz LRXZWDOFVRDHPS-CQSZACIVSA-N 2 0 310.442 0.211 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC#CCOC)C1 ZINC001690614197 1177282641 /nfs/dbraw/zinc/28/26/41/1177282641.db2.gz FLSSDUNADCFEBQ-HZPDHXFCSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001690677717 1177301165 /nfs/dbraw/zinc/30/11/65/1177301165.db2.gz SJBRPGLGPJOYPP-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001690822664 1177334000 /nfs/dbraw/zinc/33/40/00/1177334000.db2.gz KOHYRIKQCUYJJG-IAGOWNOFSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001691985674 1177395814 /nfs/dbraw/zinc/39/58/14/1177395814.db2.gz YWXJPCHHEVUYFC-HNNXBMFYSA-N 2 0 317.437 0.472 20 30 DCEDRP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001692046591 1177409058 /nfs/dbraw/zinc/40/90/58/1177409058.db2.gz XDXXDTSSRSSWPR-MRXNPFEDSA-N 2 0 309.454 0.637 20 30 DCEDRP CC#CC[NH2+]C[C@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001698755450 1177637579 /nfs/dbraw/zinc/63/75/79/1177637579.db2.gz OXFJXONCHHCLMN-HNNXBMFYSA-N 2 0 309.454 0.710 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001699013809 1177771966 /nfs/dbraw/zinc/77/19/66/1177771966.db2.gz AMWQWMAZRAIJJO-HZPDHXFCSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001699047440 1177796681 /nfs/dbraw/zinc/79/66/81/1177796681.db2.gz LKHTWXRLFIGPOA-WBVHZDCISA-N 2 0 321.465 0.731 20 30 DCEDRP C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001699060031 1177810369 /nfs/dbraw/zinc/81/03/69/1177810369.db2.gz CAEDQRWIBIZTBP-JKSUJKDBSA-N 2 0 307.438 0.483 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CC[NH2+]CC#CCOC ZINC001699185590 1177923417 /nfs/dbraw/zinc/92/34/17/1177923417.db2.gz WHGQYVZJWUAJLD-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001699593674 1178209808 /nfs/dbraw/zinc/20/98/08/1178209808.db2.gz NBCUEEVYTHXMKB-BHYGNILZSA-N 2 0 321.465 0.851 20 30 DCEDRP C#CC[N@@H+](CCOC)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001699690364 1178249946 /nfs/dbraw/zinc/24/99/46/1178249946.db2.gz WWLVCXPJTWJFNU-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H](C)C1 ZINC001699738044 1178271105 /nfs/dbraw/zinc/27/11/05/1178271105.db2.gz JRYHHMDHBVDHLS-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001699878918 1178327679 /nfs/dbraw/zinc/32/76/79/1178327679.db2.gz DXPOZRXNMBSYQE-FUHWJXTLSA-N 2 0 321.465 0.806 20 30 DCEDRP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001699901113 1178353056 /nfs/dbraw/zinc/35/30/56/1178353056.db2.gz LKGXEMNMKUTWHJ-NVXWUHKLSA-N 2 0 309.454 0.683 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@@H+](CCCC)C2)CC1 ZINC001699906576 1178361826 /nfs/dbraw/zinc/36/18/26/1178361826.db2.gz HERBTXCOKHKLSB-GOSISDBHSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001699954807 1178395540 /nfs/dbraw/zinc/39/55/40/1178395540.db2.gz XWOAOXXAWNFIPK-HUUCEWRRSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001700319726 1178580557 /nfs/dbraw/zinc/58/05/57/1178580557.db2.gz DTWIIEIKSHVFAH-CABCVRRESA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001700427055 1178614360 /nfs/dbraw/zinc/61/43/60/1178614360.db2.gz XMRBHKOJBSDWJL-GJZGRUSLSA-N 2 0 324.469 0.503 20 30 DCEDRP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001700602254 1178675303 /nfs/dbraw/zinc/67/53/03/1178675303.db2.gz DCCCHZLMTCRPJC-CABCVRRESA-N 2 0 307.438 0.700 20 30 DCEDRP C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001700853415 1178778850 /nfs/dbraw/zinc/77/88/50/1178778850.db2.gz HSJUYQMMYBLUKP-RDJZCZTQSA-N 2 0 301.434 0.934 20 30 DCEDRP COCC#CC[N@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001701055149 1178909297 /nfs/dbraw/zinc/90/92/97/1178909297.db2.gz AABAVNXOTZBJCL-UHFFFAOYSA-N 2 0 319.449 0.726 20 30 DCEDRP C#CCNC(=O)C[N@@H+](C)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001712991506 1180614916 /nfs/dbraw/zinc/61/49/16/1180614916.db2.gz SPDPSJNKDYYWHH-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001713070779 1180662780 /nfs/dbraw/zinc/66/27/80/1180662780.db2.gz RXBBPAXONXZXSC-MRXNPFEDSA-N 2 0 306.454 0.085 20 30 DCEDRP C#CC[NH2+][C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)C1CC1 ZINC001713120261 1180688489 /nfs/dbraw/zinc/68/84/89/1180688489.db2.gz FXTHAEWWDTXOKX-HNNXBMFYSA-N 2 0 303.410 0.176 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001713517188 1180890305 /nfs/dbraw/zinc/89/03/05/1180890305.db2.gz FDFWGQWQFMOUPH-HOTGVXAUSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001713541624 1180911083 /nfs/dbraw/zinc/91/10/83/1180911083.db2.gz LYVJOIUKTZMPLJ-CVEARBPZSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001713667187 1181008291 /nfs/dbraw/zinc/00/82/91/1181008291.db2.gz BRPLOTSXZJEDQL-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001713961321 1181173614 /nfs/dbraw/zinc/17/36/14/1181173614.db2.gz TZMHIEHVVPPVGQ-WKILWMFISA-N 2 0 307.438 0.605 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001714043332 1181221409 /nfs/dbraw/zinc/22/14/09/1181221409.db2.gz RXRWMNFCGORWAC-MRXNPFEDSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001714047649 1181224603 /nfs/dbraw/zinc/22/46/03/1181224603.db2.gz DYFASOFVKHZWFP-HZPDHXFCSA-N 2 0 307.438 0.416 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C(C)C)C1=O ZINC001714884378 1181584719 /nfs/dbraw/zinc/58/47/19/1181584719.db2.gz YTJCUACTYVWFTF-HUUCEWRRSA-N 2 0 324.469 0.550 20 30 DCEDRP COCC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001715832797 1182037597 /nfs/dbraw/zinc/03/75/97/1182037597.db2.gz JYJIWJBSYLLIFC-QCDWVSHVSA-N 2 0 319.449 0.915 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001716443861 1182392334 /nfs/dbraw/zinc/39/23/34/1182392334.db2.gz NIJWOTDRCQQUOO-HOTGVXAUSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001716762925 1182517185 /nfs/dbraw/zinc/51/71/85/1182517185.db2.gz DJQORKOFISOCPL-UONOGXRCSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]CCCO)C2)CC1 ZINC001716975275 1182607870 /nfs/dbraw/zinc/60/78/70/1182607870.db2.gz KZGNUMVQHNNEFQ-NVXWUHKLSA-N 2 0 321.465 0.541 20 30 DCEDRP Cn1ccnc1CCC(=O)NCC[NH+]1CCC(NCC#N)CC1 ZINC001717016787 1182623858 /nfs/dbraw/zinc/62/38/58/1182623858.db2.gz UGWAGANNLQNGIR-UHFFFAOYSA-N 2 0 318.425 0.046 20 30 DCEDRP COCC#CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001717130291 1182685541 /nfs/dbraw/zinc/68/55/41/1182685541.db2.gz OWMLDZCGGAXQKH-UHFFFAOYSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001717189839 1182721518 /nfs/dbraw/zinc/72/15/18/1182721518.db2.gz ISBAAPSIQTZVCD-KRWDZBQOSA-N 2 0 320.481 0.570 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001717322594 1182780876 /nfs/dbraw/zinc/78/08/76/1182780876.db2.gz VTCMQKHMZYNEQN-HOTGVXAUSA-N 2 0 321.465 0.683 20 30 DCEDRP CC#CC[NH2+]CCCOC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001717520270 1182879943 /nfs/dbraw/zinc/87/99/43/1182879943.db2.gz HSSJCBIQIRRWHY-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+]C[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC001723308873 1184284196 /nfs/dbraw/zinc/28/41/96/1184284196.db2.gz WTAGBNVKYBQZKD-OAHLLOKOSA-N 2 0 307.438 0.462 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001724243890 1184405077 /nfs/dbraw/zinc/40/50/77/1184405077.db2.gz GZDCVUULLKVERN-MRXNPFEDSA-N 2 0 310.442 0.069 20 30 DCEDRP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001724420956 1184437856 /nfs/dbraw/zinc/43/78/56/1184437856.db2.gz CADRXMDJIHCWAV-KRWDZBQOSA-N 2 0 307.438 0.601 20 30 DCEDRP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001724423168 1184439759 /nfs/dbraw/zinc/43/97/59/1184439759.db2.gz WUZYWWDBPNJNBT-DLBZAZTESA-N 2 0 305.422 0.049 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001724641287 1184490220 /nfs/dbraw/zinc/49/02/20/1184490220.db2.gz IQZSPTRIOAPDHH-QGZVFWFLSA-N 2 0 305.422 0.049 20 30 DCEDRP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001725113955 1184688536 /nfs/dbraw/zinc/68/85/36/1184688536.db2.gz PAOQLXLHWIYZMB-KBPBESRZSA-N 2 0 305.426 0.564 20 30 DCEDRP CCC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](CC#CCOC)C[C@H]21 ZINC001725324836 1184769570 /nfs/dbraw/zinc/76/95/70/1184769570.db2.gz SOXRAGOERVEIMJ-OSYLJGHBSA-N 2 0 321.465 0.662 20 30 DCEDRP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001725693941 1184945529 /nfs/dbraw/zinc/94/55/29/1184945529.db2.gz FZUMKAKUWMCXNK-HZPDHXFCSA-N 2 0 309.454 0.703 20 30 DCEDRP CC#CCN1CC[NH+](CCCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001731361483 1185294587 /nfs/dbraw/zinc/29/45/87/1185294587.db2.gz UFUORWVKAMCLAP-UHFFFAOYSA-N 2 0 320.481 0.475 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001731477135 1185351051 /nfs/dbraw/zinc/35/10/51/1185351051.db2.gz BHDTWPQKMXZAMN-OKILXGFUSA-N 2 0 303.410 0.318 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH2+]C[C@H](C)O)C2)CC1 ZINC001731528518 1185376406 /nfs/dbraw/zinc/37/64/06/1185376406.db2.gz BFCBSVUMYRYBMR-HOTGVXAUSA-N 2 0 321.465 0.541 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001731973618 1185618469 /nfs/dbraw/zinc/61/84/69/1185618469.db2.gz GYRTVJGOGURLEO-CABCVRRESA-N 2 0 324.469 0.457 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001732058975 1185650885 /nfs/dbraw/zinc/65/08/85/1185650885.db2.gz DWKQYNBSRUEOCD-JKSUJKDBSA-N 2 0 309.454 0.969 20 30 DCEDRP CC#CC[NH2+][C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)C(C)C ZINC001732563867 1185850897 /nfs/dbraw/zinc/85/08/97/1185850897.db2.gz VWALLCLHLWVHMZ-MRXNPFEDSA-N 2 0 319.453 0.812 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001733176056 1186170394 /nfs/dbraw/zinc/17/03/94/1186170394.db2.gz ZYGXCHNTCNCHTH-HUUCEWRRSA-N 2 0 322.453 0.257 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001733334189 1186231124 /nfs/dbraw/zinc/23/11/24/1186231124.db2.gz QNDPDFUHFRCTKI-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC#CCOC)C1 ZINC001733536624 1186325565 /nfs/dbraw/zinc/32/55/65/1186325565.db2.gz URHWLPXMKIHGMV-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@H](C[NH2+]CC=C)C2)CC1 ZINC001733750586 1186431619 /nfs/dbraw/zinc/43/16/19/1186431619.db2.gz BIRSJJAWEKENNV-MRXNPFEDSA-N 2 0 305.422 0.335 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCOCC1 ZINC001733828891 1186465496 /nfs/dbraw/zinc/46/54/96/1186465496.db2.gz MOCSFAZYEWFQEB-HNNXBMFYSA-N 2 0 307.438 0.747 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001734449114 1186656388 /nfs/dbraw/zinc/65/63/88/1186656388.db2.gz IRYUEHUOLVFWKY-BRWVUGGUSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001734545082 1186686740 /nfs/dbraw/zinc/68/67/40/1186686740.db2.gz QTXZNXFXZATPBF-CVEARBPZSA-N 2 0 309.454 0.635 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001752740768 1188436330 /nfs/dbraw/zinc/43/63/30/1188436330.db2.gz HUWOYUPCXSAXNY-BBWFWOEESA-N 2 0 321.465 0.993 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001752997706 1188474359 /nfs/dbraw/zinc/47/43/59/1188474359.db2.gz XUYZPDHLTYCKEG-DLBZAZTESA-N 2 0 321.465 0.901 20 30 DCEDRP C#CCC[NH+]1CCN(CCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001753342877 1188568668 /nfs/dbraw/zinc/56/86/68/1188568668.db2.gz BGGRWNIODYTPFD-KRWDZBQOSA-N 2 0 320.481 0.428 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCN(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001753344363 1188569406 /nfs/dbraw/zinc/56/94/06/1188569406.db2.gz BVEROMWMMMMTSK-UHFFFAOYSA-N 2 0 308.470 0.734 20 30 DCEDRP C=CCOCC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001753410833 1188586358 /nfs/dbraw/zinc/58/63/58/1188586358.db2.gz RTOBXYRILNHCBH-HOCLYGCPSA-N 2 0 309.454 0.967 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@@H](CC)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001753495821 1188609831 /nfs/dbraw/zinc/60/98/31/1188609831.db2.gz YRODCJYRPMGYSJ-LSDHHAIUSA-N 2 0 322.453 0.354 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001754327605 1188823554 /nfs/dbraw/zinc/82/35/54/1188823554.db2.gz DHPQPSXGUAXFKE-INIZCTEOSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001754631372 1188893807 /nfs/dbraw/zinc/89/38/07/1188893807.db2.gz OSNUZOMYPXSVFH-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(CO)CCC[N@H+](CC=C)C2)CC1 ZINC001754863181 1188954200 /nfs/dbraw/zinc/95/42/00/1188954200.db2.gz YOJBMSLVUOFQGT-SFHVURJKSA-N 2 0 319.449 0.461 20 30 DCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)CCO1 ZINC001755002078 1188992233 /nfs/dbraw/zinc/99/22/33/1188992233.db2.gz KMHFSEKZQAQJHO-AWEZNQCLSA-N 2 0 321.425 0.061 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001755045280 1189005039 /nfs/dbraw/zinc/00/50/39/1189005039.db2.gz PJAAWTSPRWKWPD-CABCVRRESA-N 2 0 324.469 0.409 20 30 DCEDRP C#CC[N@H+](C)CCOCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001755544048 1189143789 /nfs/dbraw/zinc/14/37/89/1189143789.db2.gz IEMXEAIIZIVCNN-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001755806414 1189225477 /nfs/dbraw/zinc/22/54/77/1189225477.db2.gz DYLYRQKELCZKMY-CQSZACIVSA-N 2 0 313.442 0.034 20 30 DCEDRP COCC#CC[N@H+]1CC=C(CNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001755895113 1189252373 /nfs/dbraw/zinc/25/23/73/1189252373.db2.gz WLTNVZNKHNGZDI-MRXNPFEDSA-N 2 0 319.449 0.726 20 30 DCEDRP CN(CCC#N)C[C@@H](O)C[NH2+]C1CC[NH+](C2CCOCC2)CC1 ZINC001772048708 1190599374 /nfs/dbraw/zinc/59/93/74/1190599374.db2.gz BDGLGWHUMNIWFG-KRWDZBQOSA-N 2 0 324.469 0.426 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001106985990 751710877 /nfs/dbraw/zinc/71/08/77/751710877.db2.gz BXGLUICKDZREOV-BRWVUGGUSA-N 2 0 321.465 0.662 20 30 DCEDRP CC#CCN1C[C@H]2OCCN(C(=O)Cn3ccnc3C)[C@H]2C1 ZINC001083276302 747730405 /nfs/dbraw/zinc/73/04/05/747730405.db2.gz WYSLHSKMIMPQNR-LSDHHAIUSA-N 2 0 302.378 0.126 20 30 DCEDRP C#CCCN1CC(N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001043392923 752214851 /nfs/dbraw/zinc/21/48/51/752214851.db2.gz YMAMRLSBRJAVOA-GULBITTBSA-N 2 0 303.406 0.016 20 30 DCEDRP C#CCN1CC[C@@H](NC(=O)CN(C)Cc2ccccc2)[C@@H](O)C1 ZINC001100143335 761935069 /nfs/dbraw/zinc/93/50/69/761935069.db2.gz RKUOGVSSSJVXJW-SJORKVTESA-N 2 0 315.417 0.303 20 30 DCEDRP C#CCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462693 749813183 /nfs/dbraw/zinc/81/31/83/749813183.db2.gz VIVJWYUGWFDSML-OIISXLGYSA-N 2 0 319.449 0.436 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106665381 751221627 /nfs/dbraw/zinc/22/16/27/751221627.db2.gz UROPGJYZUARIBF-BRWVUGGUSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001106752222 751267743 /nfs/dbraw/zinc/26/77/43/751267743.db2.gz RNQFLNHHWIRVLW-HUUCEWRRSA-N 2 0 317.437 0.376 20 30 DCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC001044772574 752864726 /nfs/dbraw/zinc/86/47/26/752864726.db2.gz WKNYNFGVSGHMOH-GOEBONIOSA-N 2 0 317.437 0.661 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001046036869 753440268 /nfs/dbraw/zinc/44/02/68/753440268.db2.gz HZMYMZPIQMNSDY-SJORKVTESA-N 2 0 320.481 0.424 20 30 DCEDRP C=C(C)C[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046082473 753472568 /nfs/dbraw/zinc/47/25/68/753472568.db2.gz SDKVXLPVDFREFT-IAGOWNOFSA-N 2 0 320.481 0.733 20 30 DCEDRP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001047379689 754226496 /nfs/dbraw/zinc/22/64/96/754226496.db2.gz AFERZVGEMSPBRS-JYJNAYRXSA-N 2 0 307.438 0.386 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001047382174 754230258 /nfs/dbraw/zinc/23/02/58/754230258.db2.gz XRAZZCJGSFVBGH-IKGGRYGDSA-N 2 0 321.465 0.798 20 30 DCEDRP C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001047401266 754246513 /nfs/dbraw/zinc/24/65/13/754246513.db2.gz JSHRNTFORMSEOY-JYJNAYRXSA-N 2 0 309.454 0.940 20 30 DCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129071944 754513057 /nfs/dbraw/zinc/51/30/57/754513057.db2.gz QYAPCOXJUCMKIG-KFWWJZLASA-N 2 0 320.441 0.536 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCOC)C2)CC1 ZINC001072095567 762352300 /nfs/dbraw/zinc/35/23/00/762352300.db2.gz KPOZOMPQKVAYDK-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)C[NH+](CC)CC ZINC001168763580 755198164 /nfs/dbraw/zinc/19/81/64/755198164.db2.gz PUJDLSBCCBUCNS-UHFFFAOYSA-N 2 0 324.469 0.625 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC#C)CC2)CC1 ZINC001052959723 755886524 /nfs/dbraw/zinc/88/65/24/755886524.db2.gz WYTIPXNGPKGKHG-KRWDZBQOSA-N 2 0 301.434 0.936 20 30 DCEDRP C#CC[NH2+][C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1C ZINC001054797492 756642951 /nfs/dbraw/zinc/64/29/51/756642951.db2.gz HHWGUBQNQKPFSG-GJZGRUSLSA-N 2 0 307.438 0.415 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001082328930 757038871 /nfs/dbraw/zinc/03/88/71/757038871.db2.gz SMKKXPVQDUMLBK-HUUCEWRRSA-N 2 0 307.438 0.864 20 30 DCEDRP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CN(C)CCO3)C2)CC1 ZINC001050472389 757742367 /nfs/dbraw/zinc/74/23/67/757742367.db2.gz ONJBEZLXOXXBMC-HNNXBMFYSA-N 2 0 307.438 0.818 20 30 DCEDRP C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001098391305 759208103 /nfs/dbraw/zinc/20/81/03/759208103.db2.gz AHHZHYAPANHAKI-KRWDZBQOSA-N 2 0 321.465 0.635 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001052386420 759388922 /nfs/dbraw/zinc/38/89/22/759388922.db2.gz CGVZGBLNNRBYDI-OAHLLOKOSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](CC#C)CC1 ZINC001085986601 759547270 /nfs/dbraw/zinc/54/72/70/759547270.db2.gz IMYRMQJOFKNGSZ-KRWDZBQOSA-N 2 0 301.434 0.888 20 30 DCEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100125071 760445892 /nfs/dbraw/zinc/44/58/92/760445892.db2.gz RJBKBPQZYQUDJC-JKSUJKDBSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@H](C)O2 ZINC001071175336 761684342 /nfs/dbraw/zinc/68/43/42/761684342.db2.gz CKTHEBKPUDBGTB-RDJZCZTQSA-N 2 0 319.449 0.796 20 30 DCEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100141111 761692519 /nfs/dbraw/zinc/69/25/19/761692519.db2.gz LWCUBYODHKXGNZ-SJORKVTESA-N 2 0 321.465 0.827 20 30 DCEDRP CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC001071241513 761732741 /nfs/dbraw/zinc/73/27/41/761732741.db2.gz WDYJTJICVBGIBR-AEFFLSMTSA-N 2 0 319.449 0.797 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129421662 762933522 /nfs/dbraw/zinc/93/35/22/762933522.db2.gz BKWWVCHIGAABIM-GJZGRUSLSA-N 2 0 324.469 0.646 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1=O ZINC001129950466 763055550 /nfs/dbraw/zinc/05/55/50/763055550.db2.gz VGUQBPZUBPMFHS-KGLIPLIRSA-N 2 0 310.442 0.065 20 30 DCEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](O)C1 ZINC001099879091 763095033 /nfs/dbraw/zinc/09/50/33/763095033.db2.gz FGVCYCWINSDLIP-JKSUJKDBSA-N 2 0 309.454 0.988 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)c1c[nH+]ccc1N(C)C ZINC001171354361 768108923 /nfs/dbraw/zinc/10/89/23/768108923.db2.gz LYUGQSJTYFYYMU-UHFFFAOYSA-N 2 0 319.409 0.159 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001086997160 768112808 /nfs/dbraw/zinc/11/28/08/768112808.db2.gz OZHSAVAMCJRITK-XHSDSOJGSA-N 2 0 317.437 0.278 20 30 DCEDRP C=CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100114330 763323723 /nfs/dbraw/zinc/32/37/23/763323723.db2.gz LSXVXQMCNZHBIJ-HOTGVXAUSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130708639 763455100 /nfs/dbraw/zinc/45/51/00/763455100.db2.gz BUFJEQYTABEYAJ-HUUCEWRRSA-N 2 0 324.469 0.503 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001100423540 763568791 /nfs/dbraw/zinc/56/87/91/763568791.db2.gz NONAXFPKZFYRJF-XUJLQICISA-N 2 0 324.469 0.359 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1cncn1C ZINC001131101041 763644774 /nfs/dbraw/zinc/64/47/74/763644774.db2.gz JRBPMQCWCXOHQN-HUUCEWRRSA-N 2 0 319.453 0.832 20 30 DCEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519265 763843079 /nfs/dbraw/zinc/84/30/79/763843079.db2.gz BVECTRALDZDOCU-UJEKJILKSA-N 2 0 307.438 0.910 20 30 DCEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001100989206 763901183 /nfs/dbraw/zinc/90/11/83/763901183.db2.gz ODIRJZRAZPUQIY-FHERZECASA-N 2 0 307.438 0.462 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131834725 764070080 /nfs/dbraw/zinc/07/00/80/764070080.db2.gz GDEFJBPVKKQOMA-UHFFFAOYSA-N 2 0 310.442 0.259 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320703 764595900 /nfs/dbraw/zinc/59/59/00/764595900.db2.gz PEQIYNPFHBJOMS-RBSFLKMASA-N 2 0 324.469 0.313 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330326 764602146 /nfs/dbraw/zinc/60/21/46/764602146.db2.gz PDEBNBCCIGZELE-BRWVUGGUSA-N 2 0 323.481 0.907 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580675 764712772 /nfs/dbraw/zinc/71/27/72/764712772.db2.gz GVXSEZRVXZGAJI-IXDOHACOSA-N 2 0 321.465 0.662 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134783584 765672581 /nfs/dbraw/zinc/67/25/81/765672581.db2.gz ZRRFAMAORKHOIB-CYBMUJFWSA-N 2 0 310.442 0.115 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](O)C1 ZINC001090525368 766153230 /nfs/dbraw/zinc/15/32/30/766153230.db2.gz KWKZADZICWNVOT-HUUCEWRRSA-N 2 0 319.405 0.530 20 30 DCEDRP C#CCN1CC[C@@H](NC(=O)Cn2ccnc2C(C)C)[C@@H](O)C1 ZINC001090618036 766383988 /nfs/dbraw/zinc/38/39/88/766383988.db2.gz ZMWCRVLHPCRFLZ-KGLIPLIRSA-N 2 0 304.394 0.191 20 30 DCEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](O)C1 ZINC001090672940 766455824 /nfs/dbraw/zinc/45/58/24/766455824.db2.gz HJRRHSUQXMMERJ-JKSUJKDBSA-N 2 0 309.454 0.846 20 30 DCEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](O)C1 ZINC001090706272 766493812 /nfs/dbraw/zinc/49/38/12/766493812.db2.gz HBUAMBAVSMABSE-IAGOWNOFSA-N 2 0 321.465 0.846 20 30 DCEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001090706275 766494126 /nfs/dbraw/zinc/49/41/26/766494126.db2.gz HBUAMBAVSMABSE-SJORKVTESA-N 2 0 321.465 0.846 20 30 DCEDRP C=CC[C@@]1(C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CCC[NH2+]1 ZINC001119301523 766629722 /nfs/dbraw/zinc/62/97/22/766629722.db2.gz BGULYFMHOCXWHE-INIZCTEOSA-N 2 0 316.409 0.523 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C[C@@H]2O)CC1 ZINC001090830594 766648859 /nfs/dbraw/zinc/64/88/59/766648859.db2.gz NNVRQXMQKJRSCD-IRXDYDNUSA-N 2 0 319.449 0.293 20 30 DCEDRP C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H]2CC[N@H+](C)C2)c1C#N ZINC001119515293 766707758 /nfs/dbraw/zinc/70/77/58/766707758.db2.gz BPKIKQDXEYFJTA-NSHDSACASA-N 2 0 304.398 0.714 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120130352 766912062 /nfs/dbraw/zinc/91/20/62/766912062.db2.gz XJAUGHRXHXACQN-MRXNPFEDSA-N 2 0 321.465 0.997 20 30 DCEDRP COCC#CC[NH2+]C1CC2(CC(NC(=O)Cc3c[nH]cn3)C2)C1 ZINC001121835653 767644813 /nfs/dbraw/zinc/64/48/13/767644813.db2.gz RKMLOOXICWHEEV-UHFFFAOYSA-N 2 0 316.405 0.619 20 30 DCEDRP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151106610 769262938 /nfs/dbraw/zinc/26/29/38/769262938.db2.gz FBPLVJCKISXLSU-HNNXBMFYSA-N 2 0 324.469 0.601 20 30 DCEDRP C#CC[NH+]1CCC(CCOC)(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001151392962 769328816 /nfs/dbraw/zinc/32/88/16/769328816.db2.gz VEHGTRYIDKPUJB-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001151408478 769333109 /nfs/dbraw/zinc/33/31/09/769333109.db2.gz KRJBSBHHLMOLCG-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001171873634 769384462 /nfs/dbraw/zinc/38/44/62/769384462.db2.gz SHAYZRIOJFINPT-VUGNNNGISA-N 2 0 319.449 0.747 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@H](OC)C2CCC2)CC1 ZINC001152330499 769528840 /nfs/dbraw/zinc/52/88/40/769528840.db2.gz QDKYBSAXOKXSEQ-KRWDZBQOSA-N 2 0 321.465 0.853 20 30 DCEDRP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153452655 769817690 /nfs/dbraw/zinc/81/76/90/769817690.db2.gz UXALPIGQQDOCKE-BZUAXINKSA-N 2 0 309.454 0.803 20 30 DCEDRP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176184856 770045343 /nfs/dbraw/zinc/04/53/43/770045343.db2.gz ORNKDKTYQAMYMN-INIZCTEOSA-N 2 0 321.465 0.997 20 30 DCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001154396402 770168535 /nfs/dbraw/zinc/16/85/35/770168535.db2.gz HWVNNKGZPMMOEB-HCEZTOJASA-N 2 0 305.422 0.309 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2cncn2C)CC1 ZINC001176926782 770227349 /nfs/dbraw/zinc/22/73/49/770227349.db2.gz UUGDPBDVEQAEPY-UHFFFAOYSA-N 2 0 317.437 0.361 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176938672 770235589 /nfs/dbraw/zinc/23/55/89/770235589.db2.gz UWABXUMHWVQPDZ-OAHLLOKOSA-N 2 0 324.469 0.649 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176992631 770282394 /nfs/dbraw/zinc/28/23/94/770282394.db2.gz WABXFFQGCXSPBU-GJZGRUSLSA-N 2 0 322.453 0.095 20 30 DCEDRP COCC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001178045905 770600151 /nfs/dbraw/zinc/60/01/51/770600151.db2.gz ZDRQWXKYVRPIHW-MRXNPFEDSA-N 2 0 309.454 0.997 20 30 DCEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001178536252 770783285 /nfs/dbraw/zinc/78/32/85/770783285.db2.gz SKSKWPOKLUDUPQ-CVEARBPZSA-N 2 0 307.438 0.749 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203357049 770830146 /nfs/dbraw/zinc/83/01/46/770830146.db2.gz CXXNPNURKWGHHP-LSDHHAIUSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CC[NH2+]CCCCCCNC(=O)COC1CC[NH+](C)CC1 ZINC001179933637 771036549 /nfs/dbraw/zinc/03/65/49/771036549.db2.gz WCTICRZGHQWPKO-UHFFFAOYSA-N 2 0 309.454 0.997 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001180226646 771076816 /nfs/dbraw/zinc/07/68/16/771076816.db2.gz DXBAMUULOMMLDZ-KKUMJFAQSA-N 2 0 322.453 0.044 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](C)O)CC1 ZINC001157092351 771532186 /nfs/dbraw/zinc/53/21/86/771532186.db2.gz SZNVGYFWIRRQOR-HUUCEWRRSA-N 2 0 309.454 0.539 20 30 DCEDRP N#Cc1c(NC(=[NH2+])NCCCC[NH3+])ncc2c1CCC[NH2+]C2 ZINC001157093492 771532424 /nfs/dbraw/zinc/53/24/24/771532424.db2.gz CPNRBQANVVTBCC-UHFFFAOYSA-N 3 0 301.398 0.664 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183240377 771627425 /nfs/dbraw/zinc/62/74/25/771627425.db2.gz BVBFNFRUNIIFML-UONOGXRCSA-N 2 0 322.453 0.352 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158038086 771717428 /nfs/dbraw/zinc/71/74/28/771717428.db2.gz MUNRGTWYPQOEPD-HOTGVXAUSA-N 2 0 307.438 0.607 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001184559983 771798895 /nfs/dbraw/zinc/79/88/95/771798895.db2.gz PGWLPBXEQFSOOO-SJORKVTESA-N 2 0 319.449 0.701 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160434040 772037445 /nfs/dbraw/zinc/03/74/45/772037445.db2.gz PPPRKVFRPZWGBK-KBPBESRZSA-N 2 0 312.458 0.359 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC12CCOCC2 ZINC001186545573 772059560 /nfs/dbraw/zinc/05/95/60/772059560.db2.gz NCIGLFDWMAOZBM-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001160695820 772097113 /nfs/dbraw/zinc/09/71/13/772097113.db2.gz QVZJRQGEFXKYRF-BBRMVZONSA-N 2 0 300.406 0.886 20 30 DCEDRP C#CC[C@]1(C(=O)N(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC001161445518 772224559 /nfs/dbraw/zinc/22/45/59/772224559.db2.gz PQBNMDBTAKJBTB-NVXWUHKLSA-N 3 0 306.454 0.274 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCOCC)C2)CC1 ZINC001188118258 772268922 /nfs/dbraw/zinc/26/89/22/772268922.db2.gz QLLJWKXPIAVURT-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001188139645 772271260 /nfs/dbraw/zinc/27/12/60/772271260.db2.gz QPPPWEZSRFNFCO-ZIAGYGMSSA-N 2 0 310.442 0.208 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)(COC)CC1 ZINC001162481604 772378722 /nfs/dbraw/zinc/37/87/22/772378722.db2.gz BMMBTAHICXFMRA-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001165263713 772713074 /nfs/dbraw/zinc/71/30/74/772713074.db2.gz VGARJGCOMDAZGP-AWEZNQCLSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001165776487 772761683 /nfs/dbraw/zinc/76/16/83/772761683.db2.gz JDLACVKUIRZPFO-HNNXBMFYSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166677723 772839240 /nfs/dbraw/zinc/83/92/40/772839240.db2.gz MATHZMNGVFYDSE-UONOGXRCSA-N 2 0 310.442 0.115 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203349370 772904874 /nfs/dbraw/zinc/90/48/74/772904874.db2.gz IHMQOLUCIFZMTE-ZIAGYGMSSA-N 2 0 322.453 0.257 20 30 DCEDRP COCC#CC[NH2+]CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001205469522 772994509 /nfs/dbraw/zinc/99/45/09/772994509.db2.gz KDOJIVPSNLHOBK-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001194247321 773167605 /nfs/dbraw/zinc/16/76/05/773167605.db2.gz WOBYKXBFSPZEJT-KRWDZBQOSA-N 2 0 301.434 0.888 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485893 773474838 /nfs/dbraw/zinc/47/48/38/773474838.db2.gz VQTIXRSQLLETQC-GDBMZVCRSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H]2CCCOC2)CC1 ZINC001152334567 773739727 /nfs/dbraw/zinc/73/97/27/773739727.db2.gz IESVNLAKCLSBPI-HNNXBMFYSA-N 2 0 307.438 0.464 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211284268 773789902 /nfs/dbraw/zinc/78/99/02/773789902.db2.gz KGYUPLGFOSOKLY-HUUCEWRRSA-N 2 0 324.469 0.598 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211344057 773793312 /nfs/dbraw/zinc/79/33/12/773793312.db2.gz ZXGQFLUMYSSBLF-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@H](C)OC)C2)CC1 ZINC001216837675 774141311 /nfs/dbraw/zinc/14/13/11/774141311.db2.gz MFYZJRSSMKHBQF-HLLBOEOZSA-N 2 0 321.465 0.803 20 30 DCEDRP N#Cc1c(NC(=O)C[C@H]2C[NH2+]CCO2)sc2c1CC[NH2+]C2 ZINC001218552215 774244723 /nfs/dbraw/zinc/24/47/23/774244723.db2.gz CTBUHRSQKDCBFB-VIFPVBQESA-N 2 0 306.391 0.582 20 30 DCEDRP N#Cc1cnc(NC(=O)[C@@H]([NH3+])CCC[NH3+])c(Br)c1 ZINC001218551747 774245240 /nfs/dbraw/zinc/24/52/40/774245240.db2.gz JQXYYOLDPNNICP-VIFPVBQESA-N 2 0 312.171 0.720 20 30 DCEDRP N#Cc1c(NC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)sc2c1CC[NH2+]C2 ZINC001218552680 774246285 /nfs/dbraw/zinc/24/62/85/774246285.db2.gz JGGYKAUONCKHRR-RFAUZJTJSA-N 2 0 317.418 0.155 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCO1 ZINC001200479213 774360524 /nfs/dbraw/zinc/36/05/24/774360524.db2.gz OOHHRFJNTSYSCY-CVEARBPZSA-N 2 0 307.438 0.700 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200687413 774390188 /nfs/dbraw/zinc/39/01/88/774390188.db2.gz ARGWULROLWINQZ-HOTGVXAUSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCCO1 ZINC001200687481 774390271 /nfs/dbraw/zinc/39/02/71/774390271.db2.gz CIYGLSHHWYJIRQ-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CCCO1 ZINC001201226470 774467340 /nfs/dbraw/zinc/46/73/40/774467340.db2.gz YMSDMELSVBMGEC-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)CCCO1 ZINC001201403605 774501862 /nfs/dbraw/zinc/50/18/62/774501862.db2.gz NCZJIDUVDJUANQ-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCCO1 ZINC001201570185 774526290 /nfs/dbraw/zinc/52/62/90/774526290.db2.gz YNHUJVGKRRAYAP-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)cc1 ZINC001219619700 774560395 /nfs/dbraw/zinc/56/03/95/774560395.db2.gz NKYDSPJEPLZYHV-IJEWVQPXSA-N 2 0 320.368 0.127 20 30 DCEDRP C#CC[C@]1(C(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)O2)CCC[NH2+]1 ZINC001219743518 774596365 /nfs/dbraw/zinc/59/63/65/774596365.db2.gz FYJIBJYVSUCPCC-WMLDXEAASA-N 2 0 305.422 0.549 20 30 DCEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001219944159 774653022 /nfs/dbraw/zinc/65/30/22/774653022.db2.gz RIIBYHFQBAWGDT-CABCVRRESA-N 2 0 307.438 0.742 20 30 DCEDRP CC1(C)CC(=O)C=C(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001220413650 774800664 /nfs/dbraw/zinc/80/06/64/774800664.db2.gz MRYURWLTQKCWAV-AWEZNQCLSA-N 2 0 308.426 0.126 20 30 DCEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)NCCOCCOCC[NH3+])cc1 ZINC001220519247 774832440 /nfs/dbraw/zinc/83/24/40/774832440.db2.gz HTEICZLHDOQIEB-OAHLLOKOSA-N 2 0 320.393 0.056 20 30 DCEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220868785 774940205 /nfs/dbraw/zinc/94/02/05/774940205.db2.gz UMCFMXJEFNPQSQ-GJZGRUSLSA-N 3 0 306.454 0.627 20 30 DCEDRP CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC#CCOC)[C@H]2C1)[NH+](C)C ZINC001222959043 775445383 /nfs/dbraw/zinc/44/53/83/775445383.db2.gz IYDHCYRTULFXHQ-ZACQAIPSSA-N 2 0 321.465 0.899 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001225019838 775631265 /nfs/dbraw/zinc/63/12/65/775631265.db2.gz LGGIRTRCTBTXIQ-UHFFFAOYSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001225435734 775679339 /nfs/dbraw/zinc/67/93/39/775679339.db2.gz PBAWDULLJXKTCM-UHFFFAOYSA-N 2 0 322.453 0.213 20 30 DCEDRP C#CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CC[NH+](CCO)CC1 ZINC001278184712 945169669 /nfs/dbraw/zinc/16/96/69/945169669.db2.gz QVHXSYFTVUWERP-OAHLLOKOSA-N 2 0 307.438 0.247 20 30 DCEDRP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317861135 945209661 /nfs/dbraw/zinc/20/96/61/945209661.db2.gz MRCYTUACPHFVEC-GJZGRUSLSA-N 2 0 322.453 0.021 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CC#C)C1 ZINC001266459234 939124491 /nfs/dbraw/zinc/12/44/91/939124491.db2.gz MEXGZALJROFVBI-IRXDYDNUSA-N 2 0 301.434 0.888 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001266569919 939166758 /nfs/dbraw/zinc/16/67/58/939166758.db2.gz QPPPWEZSRFNFCO-KBPBESRZSA-N 2 0 310.442 0.208 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001278349567 945235417 /nfs/dbraw/zinc/23/54/17/945235417.db2.gz IYKMKGZUDWFCQP-KRWDZBQOSA-N 2 0 320.481 0.568 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1=O ZINC001266743590 939226677 /nfs/dbraw/zinc/22/66/77/939226677.db2.gz JRUMLKKPEUNULH-GJZGRUSLSA-N 2 0 322.453 0.306 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001267139696 939355666 /nfs/dbraw/zinc/35/56/66/939355666.db2.gz LLUFGTRXDVYELK-HNNXBMFYSA-N 2 0 309.454 0.995 20 30 DCEDRP CC[N@@H+](CC#CCOC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001480975474 939508329 /nfs/dbraw/zinc/50/83/29/939508329.db2.gz VALDQIAANYQMLD-INIZCTEOSA-N 2 0 307.438 0.416 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001481247689 939670116 /nfs/dbraw/zinc/67/01/16/939670116.db2.gz SZCFXBFMJWGAQI-UONOGXRCSA-N 2 0 310.442 0.209 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001267991915 939723891 /nfs/dbraw/zinc/72/38/91/939723891.db2.gz CCCGUGNXFTYWST-HNNXBMFYSA-N 2 0 307.438 0.607 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001481319778 939746384 /nfs/dbraw/zinc/74/63/84/939746384.db2.gz NKTRXCRUARSBBQ-HUUCEWRRSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCOC)C1 ZINC001481535333 939924077 /nfs/dbraw/zinc/92/40/77/939924077.db2.gz BKSXCQIKPJDPOJ-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001268116421 939950745 /nfs/dbraw/zinc/95/07/45/939950745.db2.gz NOYOUOLLTFWLNG-JKSUJKDBSA-N 2 0 309.454 0.708 20 30 DCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001268137977 939955919 /nfs/dbraw/zinc/95/59/19/939955919.db2.gz OEUAQELAVMGUFP-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001268321344 940057665 /nfs/dbraw/zinc/05/76/65/940057665.db2.gz MOSMTUQYQRLZCE-CZUORRHYSA-N 2 0 313.417 0.289 20 30 DCEDRP N#Cc1cc(NCC2(O)CC[NH2+]CC2)ccc1N1CC[NH2+]CC1 ZINC001245966246 945304029 /nfs/dbraw/zinc/30/40/29/945304029.db2.gz KOOLEFAFCLSHOI-UHFFFAOYSA-N 2 0 315.421 0.494 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+]C[C@@H]2CCOC2)CC1 ZINC001268630510 940309133 /nfs/dbraw/zinc/30/91/33/940309133.db2.gz LYEAWYLIYSDVND-CWDCEQMOSA-N 2 0 319.449 0.630 20 30 DCEDRP C=CCNC(=O)[C@@H](C)N1CC[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001270665342 940959833 /nfs/dbraw/zinc/95/98/33/940959833.db2.gz OQQXAHFNSIFXSJ-RHSMWYFYSA-N 2 0 324.469 0.598 20 30 DCEDRP C=CCCC[NH+]1CC[C@](O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001271209174 941322806 /nfs/dbraw/zinc/32/28/06/941322806.db2.gz MDWLIZWWWCPICA-WBVHZDCISA-N 2 0 309.454 0.847 20 30 DCEDRP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]2C1)[NH+](C)C ZINC001271892653 941473601 /nfs/dbraw/zinc/47/36/01/941473601.db2.gz UZRQHZROYLCHCN-OWCLPIDISA-N 2 0 307.438 0.367 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001482564947 941506545 /nfs/dbraw/zinc/50/65/45/941506545.db2.gz IIFAPSCRZVRCON-HOTGVXAUSA-N 2 0 309.454 0.708 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CC#CC)CC1 ZINC001483958419 943046994 /nfs/dbraw/zinc/04/69/94/943046994.db2.gz HWFDJAITNWNTNN-KRWDZBQOSA-N 2 0 301.434 0.936 20 30 DCEDRP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001484357077 943334231 /nfs/dbraw/zinc/33/42/31/943334231.db2.gz YFEAUWDILIKLHC-JKSUJKDBSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CC[NH+]1CCC[C@@](CO)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001484437239 943382276 /nfs/dbraw/zinc/38/22/76/943382276.db2.gz DWYFKNSUWAVOPW-DOTOQJQBSA-N 2 0 309.454 0.990 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)CCO1 ZINC001484677675 943508335 /nfs/dbraw/zinc/50/83/35/943508335.db2.gz GITDJSAWLYBODP-LSDHHAIUSA-N 2 0 313.417 0.507 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001484842243 943590455 /nfs/dbraw/zinc/59/04/55/943590455.db2.gz WNFJSWMOUIEZJE-FUHWJXTLSA-N 2 0 321.465 0.827 20 30 DCEDRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001491022904 943714431 /nfs/dbraw/zinc/71/44/31/943714431.db2.gz ISWMSHFXOBMJLC-QLFBSQMISA-N 2 0 313.417 0.553 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001485705675 944085620 /nfs/dbraw/zinc/08/56/20/944085620.db2.gz JDPUAKQPBAZHSY-RBSFLKMASA-N 2 0 322.453 0.257 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001485706659 944085749 /nfs/dbraw/zinc/08/57/49/944085749.db2.gz MMBLKFSQLQGPON-QAQDUYKDSA-N 2 0 321.465 0.997 20 30 DCEDRP C=C(C)CN1C(=O)COCC12C[NH+](CC1CC[NH+](C)CC1)C2 ZINC001272888338 944300535 /nfs/dbraw/zinc/30/05/35/944300535.db2.gz WCWPWDBPDJVUNF-UHFFFAOYSA-N 2 0 307.438 0.818 20 30 DCEDRP C#CCC[NH2+][C@H](CO)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001486010661 944495709 /nfs/dbraw/zinc/49/57/09/944495709.db2.gz LRSBHGPIOJCBAT-AWEZNQCLSA-N 2 0 309.454 0.729 20 30 DCEDRP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001486062216 944523646 /nfs/dbraw/zinc/52/36/46/944523646.db2.gz UMUFZSMVCIOEDR-QGZVFWFLSA-N 2 0 315.417 0.201 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CCC(C)(C)C)CC1 ZINC001486064997 944525362 /nfs/dbraw/zinc/52/53/62/944525362.db2.gz BUZXODWSHSRBHX-MRXNPFEDSA-N 2 0 323.481 0.835 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)Cn2cncc2C)CC1(C)C ZINC001486237886 944662299 /nfs/dbraw/zinc/66/22/99/944662299.db2.gz MQMUGTAZTDJRKI-HNNXBMFYSA-N 2 0 318.421 0.668 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CCCO)C2CC2)CC1 ZINC001317033501 944750176 /nfs/dbraw/zinc/75/01/76/944750176.db2.gz HPWXFXSHKLWMAN-MRXNPFEDSA-N 2 0 307.438 0.198 20 30 DCEDRP CC#CC[NH2+]CCCOCCNC(=O)C12CCC[NH+]1CCC2 ZINC001277603959 944903479 /nfs/dbraw/zinc/90/34/79/944903479.db2.gz NMAQVSFWEQGJNF-UHFFFAOYSA-N 2 0 307.438 0.751 20 30 DCEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H]1CSC2(C[NH2+]C2)C1 ZINC001246310043 945380218 /nfs/dbraw/zinc/38/02/18/945380218.db2.gz YMMGGRSFXJIZQE-OLZOCXBDSA-N 2 0 313.467 0.650 20 30 DCEDRP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001318483328 945381412 /nfs/dbraw/zinc/38/14/12/945381412.db2.gz PRLNEYHKSZHYSP-INIZCTEOSA-N 2 0 309.454 0.901 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]C[C@H]2CCOC2)CC1 ZINC001318608793 945411933 /nfs/dbraw/zinc/41/19/33/945411933.db2.gz YUUZXSGZDNFOFO-WBVHZDCISA-N 2 0 321.465 0.853 20 30 DCEDRP C=CCN1CCN(C)C2(CC[NH+](C3CC[NH2+]CC3)CC2)C1=O ZINC001246742022 945477018 /nfs/dbraw/zinc/47/70/18/945477018.db2.gz QUIKOPGKAXUDMU-UHFFFAOYSA-N 2 0 306.454 0.533 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]C[C@@H](C)OC)CC1 ZINC001273205017 945827397 /nfs/dbraw/zinc/82/73/97/945827397.db2.gz RDEDPXPZKQCAIQ-LSDHHAIUSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CCOCC1 ZINC001278707382 946101561 /nfs/dbraw/zinc/10/15/61/946101561.db2.gz JVBHWYOOJKOKBU-OAHLLOKOSA-N 2 0 307.438 0.747 20 30 DCEDRP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001278787934 946396701 /nfs/dbraw/zinc/39/67/01/946396701.db2.gz XYHKUENSPABYRW-GOSISDBHSA-N 2 0 321.465 0.992 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001279027954 946751213 /nfs/dbraw/zinc/75/12/13/946751213.db2.gz KMMGHLLRRLTCMU-ZIAGYGMSSA-N 2 0 324.469 0.361 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)CCn1ccnc1)C1CC1 ZINC001323050651 946914288 /nfs/dbraw/zinc/91/42/88/946914288.db2.gz JJUCOPAFIDBHLB-HNNXBMFYSA-N 2 0 304.394 0.407 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001411109035 947342024 /nfs/dbraw/zinc/34/20/24/947342024.db2.gz ZJEIJBUUODAGKH-YPMHNXCESA-N 2 0 303.834 0.490 20 30 DCEDRP C#CC[N@H+]1CC[C@@](O)(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001325101294 947651604 /nfs/dbraw/zinc/65/16/04/947651604.db2.gz FWZBKHGOFWBHLP-MRXNPFEDSA-N 2 0 321.446 0.610 20 30 DCEDRP C=CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001325109714 947658760 /nfs/dbraw/zinc/65/87/60/947658760.db2.gz GVUQGRUFRYLPOO-RDJZCZTQSA-N 2 0 309.454 0.846 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)[C@H]1C ZINC001179534743 947854570 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20 30 DCEDRP C=CCOCCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001335547168 952554397 /nfs/dbraw/zinc/55/43/97/952554397.db2.gz VDMDTACLDFAYGP-IYBDPMFKSA-N 2 0 322.453 0.799 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@H]2CCOC)CC1 ZINC001338522127 953025870 /nfs/dbraw/zinc/02/58/70/953025870.db2.gz UCWOMJZADYRLES-OAHLLOKOSA-N 2 0 310.442 0.657 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC#CCOC)C1 ZINC001283041598 953947554 /nfs/dbraw/zinc/94/75/54/953947554.db2.gz BUWMCNHISYBWBY-ULQDDVLXSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001283899559 954705878 /nfs/dbraw/zinc/70/58/78/954705878.db2.gz PJQQJCKJDQMHLF-CABCVRRESA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH2+]C1CC(N(C)C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001284773777 955258526 /nfs/dbraw/zinc/25/85/26/955258526.db2.gz JXRBGRJADVNQNE-UHFFFAOYSA-N 2 0 307.438 0.557 20 30 DCEDRP C=C(Br)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001491675280 959116766 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309.454 0.685 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001507411587 1016309376 /nfs/dbraw/zinc/30/93/76/1016309376.db2.gz ROYGGGXHICCJGO-JKSUJKDBSA-N 2 0 309.454 0.853 20 30 DCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1(C)C ZINC001507452218 1016336523 /nfs/dbraw/zinc/33/65/23/1016336523.db2.gz JANIKHGFYFKEQP-JKSUJKDBSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001505668195 1016424334 /nfs/dbraw/zinc/42/43/34/1016424334.db2.gz UZCYTSWQNZFUSY-CABCVRRESA-N 2 0 309.454 0.993 20 30 DCEDRP C=C(Cl)CN[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001403665301 1002306640 /nfs/dbraw/zinc/30/66/40/1002306640.db2.gz BYFJYXFLLLXLQR-STQMWFEESA-N 2 0 303.834 0.680 20 30 DCEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001521490671 1017387537 /nfs/dbraw/zinc/38/75/37/1017387537.db2.gz UIOUZCOIAUCALH-HOTGVXAUSA-N 2 0 324.469 0.193 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCN(CC)C(=O)C[NH+]2CCCC2)C1=O ZINC001497495298 1018169721 /nfs/dbraw/zinc/16/97/21/1018169721.db2.gz CMXXPMZYZIESSY-OAHLLOKOSA-N 2 0 322.453 0.307 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CC#CCOC)C1CC1 ZINC001480064834 1018174826 /nfs/dbraw/zinc/17/48/26/1018174826.db2.gz DDPDANJFYDOHFH-IRXDYDNUSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+][C@@H](C)COC)C2CC2)CC1 ZINC001480066942 1018177113 /nfs/dbraw/zinc/17/71/13/1018177113.db2.gz SZWGXVPBYXUMEC-WMLDXEAASA-N 2 0 321.465 0.851 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)COC2CC[NH+](C)CC2)CCCC1 ZINC001495197772 1018391166 /nfs/dbraw/zinc/39/11/66/1018391166.db2.gz BXSORIMAMUDGQD-UHFFFAOYSA-N 2 0 307.438 0.749 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCOCC1 ZINC001500572640 1018496484 /nfs/dbraw/zinc/49/64/84/1018496484.db2.gz ZNILHDRKTLXSBD-UHFFFAOYSA-N 2 0 307.438 0.749 20 30 DCEDRP C=C(C)CC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001500686744 1018579644 /nfs/dbraw/zinc/57/96/44/1018579644.db2.gz KOPRUAUTDHHGOI-KRWDZBQOSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001480674360 1018764006 /nfs/dbraw/zinc/76/40/06/1018764006.db2.gz OLYYLAIWQDTYIE-OAHLLOKOSA-N 2 0 305.422 0.170 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001480678484 1018768249 /nfs/dbraw/zinc/76/82/49/1018768249.db2.gz YKKOKLGWFLTUDA-INIZCTEOSA-N 2 0 309.454 0.806 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001501569029 1019298360 /nfs/dbraw/zinc/29/83/60/1019298360.db2.gz RNUYGEILXQXCIU-BRWVUGGUSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001501647518 1019354704 /nfs/dbraw/zinc/35/47/04/1019354704.db2.gz JXWRUFXDMNFOIH-HOTGVXAUSA-N 2 0 309.454 0.969 20 30 DCEDRP CN(C)C(=O)CNC(=[NH+]C1CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000262245927 238171109 /nfs/dbraw/zinc/17/11/09/238171109.db2.gz AWRKDFSGDUGBBV-CQSZACIVSA-N 2 0 321.469 0.600 20 30 DCEDRP CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1C[NH+]2CCN1CC2 ZINC000262781364 238180842 /nfs/dbraw/zinc/18/08/42/238180842.db2.gz LCVRKBCOOUTJQA-MRXNPFEDSA-N 2 0 301.438 0.694 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000491656342 533103135 /nfs/dbraw/zinc/10/31/35/533103135.db2.gz SFEAFXHXLWNBQF-INIZCTEOSA-N 2 0 323.485 0.267 20 30 DCEDRP C#CCNC(=O)CC[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000064615770 395988350 /nfs/dbraw/zinc/98/83/50/395988350.db2.gz ORCKFRQYACZHAO-UHFFFAOYSA-N 2 0 303.406 0.856 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000077823049 396235312 /nfs/dbraw/zinc/23/53/12/396235312.db2.gz XHPXJAPTMJZCRN-UHFFFAOYSA-N 2 0 324.469 0.783 20 30 DCEDRP C=CC[C@@]1(C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)CCC[NH2+]1 ZINC000595957565 396696487 /nfs/dbraw/zinc/69/64/87/396696487.db2.gz VXSUDDQJKZTYID-AEFFLSMTSA-N 2 0 320.481 0.923 20 30 DCEDRP C#CCNC(=O)CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000491202240 397501131 /nfs/dbraw/zinc/50/11/31/397501131.db2.gz NAAFPIGMGQLLFH-CVEARBPZSA-N 2 0 306.454 0.084 20 30 DCEDRP C=CCN1CC[C@H]([N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)C1=O ZINC000337177993 415922223 /nfs/dbraw/zinc/92/22/23/415922223.db2.gz KJAOFQZNAQSQAJ-HOTGVXAUSA-N 2 0 306.454 0.485 20 30 DCEDRP C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)C1=CC[NH+](C)CC1 ZINC000329526256 416174359 /nfs/dbraw/zinc/17/43/59/416174359.db2.gz HLROJRVSWMEPAA-QLFBSQMISA-N 2 0 324.469 0.938 20 30 DCEDRP C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)C1=CC[NH+](C)CC1 ZINC000329526257 416175092 /nfs/dbraw/zinc/17/50/92/416175092.db2.gz HLROJRVSWMEPAA-SOUVJXGZSA-N 2 0 324.469 0.938 20 30 DCEDRP C[C@H](CC[NH+](C)C)NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000330853617 416243536 /nfs/dbraw/zinc/24/35/36/416243536.db2.gz OKJQCKWCCWRPDP-MCIONIFRSA-N 2 0 300.447 0.628 20 30 DCEDRP O[C@@H]1CC[C@@H]2C[NH+](CC#CC[N@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)C[C@H]12 ZINC000341913417 416251571 /nfs/dbraw/zinc/25/15/71/416251571.db2.gz RYYXXIMSYZKXOB-ONTMVUMWSA-N 2 0 304.434 0.395 20 30 DCEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N(C)Cc1cccc(F)c1 ZINC000262757793 416337133 /nfs/dbraw/zinc/33/71/33/416337133.db2.gz CAEUGFNMMAYFSR-INIZCTEOSA-N 2 0 319.428 0.833 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000491627765 416607152 /nfs/dbraw/zinc/60/71/52/416607152.db2.gz MSKPDHCDTOCKFQ-UHFFFAOYSA-N 2 0 316.405 0.416 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000491631287 416607285 /nfs/dbraw/zinc/60/72/85/416607285.db2.gz QDXLMDWRATVHAK-UHFFFAOYSA-N 2 0 310.442 0.040 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)N2CC[NH+](CC)CC2)CC1 ZINC000490649649 416570173 /nfs/dbraw/zinc/57/01/73/416570173.db2.gz ITSFLJHUWANJCZ-INIZCTEOSA-N 2 0 320.481 0.474 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH+]2CCC(O)CC2)CC1 ZINC000490655984 416571363 /nfs/dbraw/zinc/57/13/63/416571363.db2.gz GCADJVBFCBSWNJ-UHFFFAOYSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CCNC(=O)CC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000491155001 416587209 /nfs/dbraw/zinc/58/72/09/416587209.db2.gz OBSZVPUODSUQHJ-HOTGVXAUSA-N 2 0 321.465 0.947 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000576874660 417645042 /nfs/dbraw/zinc/64/50/42/417645042.db2.gz ACRIYHDXNHQAFI-QWHCGFSZSA-N 2 0 310.442 0.385 20 30 DCEDRP C[C@]12COC[C@H]1C[N@H+](CC#CC[NH+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000661702885 418357369 /nfs/dbraw/zinc/35/73/69/418357369.db2.gz IJBPAPKIXQSATJ-MHORFTMASA-N 2 0 304.434 0.926 20 30 DCEDRP C[C@H]1C[N@H+](CCC[NH2+]C[C@H](O)CN(C)CCC#N)CCCO1 ZINC000583079771 337236839 /nfs/dbraw/zinc/23/68/39/337236839.db2.gz KYFRUQHMTGBKAE-HOTGVXAUSA-N 2 0 312.458 0.283 20 30 DCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C(C)C ZINC000419564700 337488889 /nfs/dbraw/zinc/48/88/89/337488889.db2.gz CREHNNSIIHMREI-HUUCEWRRSA-N 2 0 322.453 0.279 20 30 DCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000424142088 337764348 /nfs/dbraw/zinc/76/43/48/337764348.db2.gz HTLZWPHWNFDKSK-OAHLLOKOSA-N 2 0 308.426 0.578 20 30 DCEDRP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001569950669 1161343036 /nfs/dbraw/zinc/34/30/36/1161343036.db2.gz QKCQWFXJSIOESR-JKSUJKDBSA-N 2 0 309.454 0.990 20 30 DCEDRP C[NH+]=C(NCC(=O)N(C)C)N1CC[NH+](C2CCCCC2)CC1 ZINC000262297620 526343873 /nfs/dbraw/zinc/34/38/73/526343873.db2.gz MTOSOMBQNNHRIN-UHFFFAOYSA-N 2 0 309.458 0.600 20 30 DCEDRP C[NH+]=C(NCC[NH+]1CCCC1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261678816 526355608 /nfs/dbraw/zinc/35/56/08/526355608.db2.gz CVTOFTNMFAFEQZ-OAHLLOKOSA-N 2 0 320.441 0.465 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171306752 527025667 /nfs/dbraw/zinc/02/56/67/527025667.db2.gz HRZRXYNHTMSUKQ-OAGGEKHMSA-N 2 0 321.465 0.946 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](C[C@H](C)O)C[C@H]32)CC1 ZINC000979088085 660659543 /nfs/dbraw/zinc/65/95/43/660659543.db2.gz LPBZXAWEWLUDNQ-QSPRXWTASA-N 2 0 319.449 0.006 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028036923 661093673 /nfs/dbraw/zinc/09/36/73/661093673.db2.gz IZDUOYBOTXNJBN-NDUQDZPOSA-N 2 0 317.433 0.454 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCO)C2)CC1 ZINC000981542439 661169735 /nfs/dbraw/zinc/16/97/35/661169735.db2.gz UPJWNLZXMPDDGW-HZPDHXFCSA-N 2 0 307.438 0.341 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](C[C@H](C)O)C2)CC1 ZINC001023762126 658218253 /nfs/dbraw/zinc/21/82/53/658218253.db2.gz ROLVVMWGXJWVRY-JKSUJKDBSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000972374624 658635193 /nfs/dbraw/zinc/63/51/93/658635193.db2.gz QYBFUJPOYPCXCN-SJLPKXTDSA-N 2 0 319.449 0.796 20 30 DCEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031856579 665656934 /nfs/dbraw/zinc/65/69/34/665656934.db2.gz CSRMCJPTWSYNLQ-BFHRDPOASA-N 2 0 319.449 0.864 20 30 DCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CCCC[NH+]2C1 ZINC001025781819 659556427 /nfs/dbraw/zinc/55/64/27/659556427.db2.gz RRMRSXJJSSJIAC-MTSZKFMLSA-N 2 0 301.434 0.931 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CC#CC)C2)CC1 ZINC001029004391 661930501 /nfs/dbraw/zinc/93/05/01/661930501.db2.gz WAUHRHZBKBCMJS-MRXNPFEDSA-N 2 0 301.434 0.793 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCO)CC1(C)C ZINC000940811782 665856709 /nfs/dbraw/zinc/85/67/09/665856709.db2.gz TYYNFBURVDPUIQ-LSDHHAIUSA-N 2 0 307.438 0.293 20 30 DCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1nc(C#N)cs1 ZINC000897293249 662437150 /nfs/dbraw/zinc/43/71/50/662437150.db2.gz UPMKOGNEQZFNEW-UHFFFAOYSA-N 2 0 324.454 0.650 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900605313 663260063 /nfs/dbraw/zinc/26/00/63/663260063.db2.gz IUELRWVWAQTREF-KRWDZBQOSA-N 2 0 309.454 0.990 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000901272583 663334189 /nfs/dbraw/zinc/33/41/89/663334189.db2.gz MSQCQIZPQGCIFN-SJORKVTESA-N 2 0 322.497 0.979 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000906597523 663624942 /nfs/dbraw/zinc/62/49/42/663624942.db2.gz MOMQENKXZWIIJT-UHFFFAOYSA-N 2 0 308.470 0.637 20 30 DCEDRP C#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001001076310 665990397 /nfs/dbraw/zinc/99/03/97/665990397.db2.gz NBAPSPCMFROMDB-MRXNPFEDSA-N 2 0 305.422 0.477 20 30 DCEDRP C=C(C)CC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001672024138 1157435878 /nfs/dbraw/zinc/43/58/78/1157435878.db2.gz GEZHLRXHMINEPW-NVXWUHKLSA-N 2 0 309.454 0.847 20 30 DCEDRP C=C(C)CC[NH+]1CC(N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000941668899 666041308 /nfs/dbraw/zinc/04/13/08/666041308.db2.gz RPYOFJSYRMQBRB-UHFFFAOYSA-N 2 0 320.481 0.877 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000922343823 666424165 /nfs/dbraw/zinc/42/41/65/666424165.db2.gz DWLDGRDZPNNGOS-MRXNPFEDSA-N 2 0 324.469 0.017 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+]([C@@H](C)COC)CC2)CC1 ZINC001004201961 666475846 /nfs/dbraw/zinc/47/58/46/666475846.db2.gz UAKNUDLIPHPILJ-HNNXBMFYSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC001034795816 667148487 /nfs/dbraw/zinc/14/84/87/667148487.db2.gz UFGSDHWOBQXIJI-QAQDUYKDSA-N 2 0 301.434 0.982 20 30 DCEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001005740707 667165881 /nfs/dbraw/zinc/16/58/81/667165881.db2.gz GIIYBDCIWAJCKA-BFHRDPOASA-N 2 0 317.433 0.406 20 30 DCEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001005742247 667179557 /nfs/dbraw/zinc/17/95/57/667179557.db2.gz PNQSUOSNNYRQPM-HQVVEAJESA-N 2 0 319.449 0.958 20 30 DCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1C ZINC001036079695 667425538 /nfs/dbraw/zinc/42/55/38/667425538.db2.gz WDVQTCFJHHSKOS-JKSUJKDBSA-N 2 0 321.465 0.805 20 30 DCEDRP C[C@@H]1CCC[N@H+](CCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884188216 667493664 /nfs/dbraw/zinc/49/36/64/667493664.db2.gz BSLXHSTXBRTDRS-HCEZTOJASA-N 2 0 304.438 0.974 20 30 DCEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884233176 667506439 /nfs/dbraw/zinc/50/64/39/667506439.db2.gz LAGCBWREKXOMKD-NQQDFHQESA-N 2 0 302.422 0.725 20 30 DCEDRP C#CCN1CCC[C@H](NC(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000884373548 667533445 /nfs/dbraw/zinc/53/34/45/667533445.db2.gz PXNNTOXIFHYGIY-HNNXBMFYSA-N 2 0 308.426 0.106 20 30 DCEDRP CC(C)[C@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC[N@@H+]1C ZINC000884471564 667551204 /nfs/dbraw/zinc/55/12/04/667551204.db2.gz AEPYPTCDPAJYLN-GYMHETDLSA-N 2 0 304.438 0.924 20 30 DCEDRP C#CCN(C(=O)c1ccn(CC[NH+](C)C)n1)C1CC[NH+](C)CC1 ZINC000886574565 667777784 /nfs/dbraw/zinc/77/77/84/667777784.db2.gz KVPJFTXTVXVNKM-UHFFFAOYSA-N 2 0 317.437 0.614 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000876764910 668505934 /nfs/dbraw/zinc/50/59/34/668505934.db2.gz PEAIPHCZCYRZPO-OCCSQVGLSA-N 2 0 314.861 0.741 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000876802121 668513788 /nfs/dbraw/zinc/51/37/88/668513788.db2.gz LTOHCWTZEANYPE-USWWRNFRSA-N 2 0 312.295 0.933 20 30 DCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000876865876 668523648 /nfs/dbraw/zinc/52/36/48/668523648.db2.gz JLCSIONPVNPSRG-UONOGXRCSA-N 2 0 320.343 0.858 20 30 DCEDRP C=CC[C@]1(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCC[NH2+]1 ZINC000877144246 668567299 /nfs/dbraw/zinc/56/72/99/668567299.db2.gz IWWNVWQWKPYWLT-JFIYKMOQSA-N 3 0 322.497 0.883 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877327970 668602044 /nfs/dbraw/zinc/60/20/44/668602044.db2.gz ZXZHDHWBCDSLNS-NWDGAFQWSA-N 2 0 301.818 0.731 20 30 DCEDRP C#CCN(C(=O)C(=O)NCC[NH+](CC)CC)C1CC[NH+](C)CC1 ZINC000929094465 668650745 /nfs/dbraw/zinc/65/07/45/668650745.db2.gz RSTCLCQWBBUWGX-UHFFFAOYSA-N 2 0 322.453 0.000 20 30 DCEDRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000929683735 668720080 /nfs/dbraw/zinc/72/00/80/668720080.db2.gz WSLRWUSRAHXXKH-OAHLLOKOSA-N 2 0 324.469 0.677 20 30 DCEDRP C[NH+]=C(NCC[C@H]1CCC[N@H+](C)C1)NCCN1CCOCC1 ZINC000849041247 670754510 /nfs/dbraw/zinc/75/45/10/670754510.db2.gz OKBBFNKJOKCYNB-OAHLLOKOSA-N 2 0 311.474 0.216 20 30 DCEDRP C#CCOc1ccc([C@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)cc1 ZINC000817945356 670955595 /nfs/dbraw/zinc/95/55/95/670955595.db2.gz ADLAWASRQDMMBY-AWEZNQCLSA-N 2 0 301.390 0.781 20 30 DCEDRP C[NH+](C)CCC[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CCO1 ZINC000852924653 671196343 /nfs/dbraw/zinc/19/63/43/671196343.db2.gz SERIVRPVXYQNLL-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCCCCCC[NH3+])CC1 ZINC000843259600 672075837 /nfs/dbraw/zinc/07/58/37/672075837.db2.gz PBLPXJJSWXVHKF-UHFFFAOYSA-N 2 0 310.442 0.388 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CCOC)CC1 ZINC001024811943 693836712 /nfs/dbraw/zinc/83/67/12/693836712.db2.gz GCMJYFAGCLCRDT-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP CCOCCCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000303886346 685208529 /nfs/dbraw/zinc/20/85/29/685208529.db2.gz NQSHLTFTVRQWHV-OAHLLOKOSA-N 2 0 313.490 0.591 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958266753 687495226 /nfs/dbraw/zinc/49/52/26/687495226.db2.gz CFACDCQAONUHKA-GOEBONIOSA-N 2 0 312.373 0.380 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)COC)C[C@H]32)CC1 ZINC000962781426 688979152 /nfs/dbraw/zinc/97/91/52/688979152.db2.gz TWZBPAUXPNTUHU-QMCVQRASSA-N 2 0 319.449 0.413 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](CC)OC)C2)CC1 ZINC001016337157 692656706 /nfs/dbraw/zinc/65/67/06/692656706.db2.gz POFPYVHBFBVBIB-DLBZAZTESA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC001072913603 694683066 /nfs/dbraw/zinc/68/30/66/694683066.db2.gz CFTGRMNRKAXYDY-OAHLLOKOSA-N 2 0 305.422 0.263 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCOC)C[C@H]32)CC1 ZINC001076604613 695032335 /nfs/dbraw/zinc/03/23/35/695032335.db2.gz OFJZXCAOZFEAOY-DLBZAZTESA-N 2 0 319.449 0.511 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC#CCOC)[C@H](C)C1 ZINC001570446880 1162519573 /nfs/dbraw/zinc/51/95/73/1162519573.db2.gz ZTIZIKPMMKVNFY-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001676406564 1175444270 /nfs/dbraw/zinc/44/42/70/1175444270.db2.gz CZOIQXHPAPWKQR-PMPSAXMXSA-N 2 0 309.454 0.803 20 30 DCEDRP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001571583918 1162828348 /nfs/dbraw/zinc/82/83/48/1162828348.db2.gz LFBPTWCIMRVEGW-HNNXBMFYSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001670469758 1157447279 /nfs/dbraw/zinc/44/72/79/1157447279.db2.gz LPSGLABQPURNJT-SJORKVTESA-N 2 0 321.465 0.993 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]C[C@@H](C)O)C(C)(C)C)CC1 ZINC001571637647 1162869815 /nfs/dbraw/zinc/86/98/15/1162869815.db2.gz AJQPAFKCQXRLCC-GDBMZVCRSA-N 2 0 323.481 0.833 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001691120439 1157588539 /nfs/dbraw/zinc/58/85/39/1157588539.db2.gz UVHUDOHIYIKXAU-GASCZTMLSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC[NH+](CCO)CC1 ZINC001754637168 1157812307 /nfs/dbraw/zinc/81/23/07/1157812307.db2.gz AJKHRSBZIUVTSX-QGZVFWFLSA-N 2 0 321.465 0.778 20 30 DCEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001755014872 1157907294 /nfs/dbraw/zinc/90/72/94/1157907294.db2.gz UJWXQEAVWPNENZ-HNNXBMFYSA-N 2 0 307.438 0.865 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001481439690 1157972668 /nfs/dbraw/zinc/97/26/68/1157972668.db2.gz VZXIWHOWGCIBGW-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001566033475 1159867874 /nfs/dbraw/zinc/86/78/74/1159867874.db2.gz VSISBNRLLTUZMM-IAGOWNOFSA-N 2 0 321.465 0.779 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001565866277 1159915654 /nfs/dbraw/zinc/91/56/54/1159915654.db2.gz DRHRNTVPRYQIDB-BRWVUGGUSA-N 2 0 321.465 0.995 20 30 DCEDRP CC[N@@H+](CC#CCOC)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001566550291 1160053833 /nfs/dbraw/zinc/05/38/33/1160053833.db2.gz GNRMCZNHDXHPHB-QGZVFWFLSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCC[NH2+][C@@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC001566714092 1160135105 /nfs/dbraw/zinc/13/51/05/1160135105.db2.gz HYAOXZDZFYKJIS-INIZCTEOSA-N 2 0 321.465 0.853 20 30 DCEDRP CCC[N@@H+](CC#CCOC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001567429987 1160364180 /nfs/dbraw/zinc/36/41/80/1160364180.db2.gz JQVUXPGVVATNFB-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCOC)CCCC2)CC1 ZINC001568246206 1160611666 /nfs/dbraw/zinc/61/16/66/1160611666.db2.gz AOYLEZZOAHUMHU-UHFFFAOYSA-N 2 0 321.465 0.997 20 30 DCEDRP CC#CC[N@H+](C)CCN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001568486911 1160658045 /nfs/dbraw/zinc/65/80/45/1160658045.db2.gz KIGZZWSREZZUCB-UHFFFAOYSA-N 2 0 309.454 0.758 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC001569099286 1160941185 /nfs/dbraw/zinc/94/11/85/1160941185.db2.gz XWFZEDUMIDEHND-HOTGVXAUSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2(C)CC[NH+](CCO)CC2)CC1 ZINC001569708548 1161201667 /nfs/dbraw/zinc/20/16/67/1161201667.db2.gz CCQYDTUOUGWSLP-UHFFFAOYSA-N 2 0 321.465 0.542 20 30 DCEDRP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001569755969 1161228618 /nfs/dbraw/zinc/22/86/18/1161228618.db2.gz OCIYCZDIMHSUEI-AEFFLSMTSA-N 2 0 321.465 0.685 20 30 DCEDRP CC#CC[C@@H]([NH3+])C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC001574972654 1163827415 /nfs/dbraw/zinc/82/74/15/1163827415.db2.gz NUQFSKLSEIHRLR-IAGOWNOFSA-N 2 0 315.417 0.263 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001649450389 1173137081 /nfs/dbraw/zinc/13/70/81/1173137081.db2.gz NSUANLIHASAFPO-GJZGRUSLSA-N 2 0 322.453 0.045 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001660887684 1174064539 /nfs/dbraw/zinc/06/45/39/1174064539.db2.gz LZFZVFSONGLBET-UHFFFAOYSA-N 2 0 318.465 0.372 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001660925104 1174069414 /nfs/dbraw/zinc/06/94/14/1174069414.db2.gz FNKZYNCNLMDRNL-UHFFFAOYSA-N 2 0 306.454 0.228 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001662681087 1174231897 /nfs/dbraw/zinc/23/18/97/1174231897.db2.gz YAHZJOSFBLBHII-GJZGRUSLSA-N 2 0 322.453 0.163 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001664835419 1174464911 /nfs/dbraw/zinc/46/49/11/1174464911.db2.gz GXRLGEATAGZOMW-INIZCTEOSA-N 2 0 321.465 0.758 20 30 DCEDRP C=CCNC(=O)CN1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001665642301 1174545124 /nfs/dbraw/zinc/54/51/24/1174545124.db2.gz QOYUFEOQFJWDLS-ZBFHGGJFSA-N 2 0 324.469 0.408 20 30 DCEDRP COCC#CC[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@H](C)C2)CCCC1 ZINC001665948329 1174576108 /nfs/dbraw/zinc/57/61/08/1174576108.db2.gz QVLPNLAPEVBASY-INIZCTEOSA-N 2 0 321.465 0.997 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001666967452 1174651824 /nfs/dbraw/zinc/65/18/24/1174651824.db2.gz ORSFPOCDHCIVNZ-CQSZACIVSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001670222733 1174993376 /nfs/dbraw/zinc/99/33/76/1174993376.db2.gz ALPSWYLYBWHWHC-GJZGRUSLSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCCOC)C2)CC1 ZINC001671694715 1175031010 /nfs/dbraw/zinc/03/10/10/1175031010.db2.gz WKJBWAIMLUJFFZ-GOSISDBHSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001671999379 1175059088 /nfs/dbraw/zinc/05/90/88/1175059088.db2.gz XBDKXINAFJNXHH-WBVHZDCISA-N 2 0 307.438 0.436 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CCO1 ZINC001673341905 1175193608 /nfs/dbraw/zinc/19/36/08/1175193608.db2.gz HXIBHKDFZDERQK-IAGOWNOFSA-N 2 0 321.465 0.947 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CC#CCOC)C1 ZINC001673924013 1175241880 /nfs/dbraw/zinc/24/18/80/1175241880.db2.gz SXKPJRWCSOJRHK-JKSUJKDBSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001675903351 1175402200 /nfs/dbraw/zinc/40/22/00/1175402200.db2.gz LFAONEJCBHBPRU-DOTOQJQBSA-N 2 0 321.465 0.853 20 30 DCEDRP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001676011585 1175413572 /nfs/dbraw/zinc/41/35/72/1175413572.db2.gz HLADTNXSCMWYJY-AEFFLSMTSA-N 2 0 321.465 0.997 20 30 DCEDRP CC#CC[NH2+][C@H](C)CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001676441108 1175445870 /nfs/dbraw/zinc/44/58/70/1175445870.db2.gz UKFRMANLRSKNMO-CQSZACIVSA-N 2 0 305.426 0.518 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC001676651087 1175473758 /nfs/dbraw/zinc/47/37/58/1175473758.db2.gz SHUVLDYPQZZFIF-ZBFHGGJFSA-N 2 0 307.438 0.700 20 30 DCEDRP C=CC[N@H+]1CC=C(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001677632248 1175588926 /nfs/dbraw/zinc/58/89/26/1175588926.db2.gz JITBDUFKXGYENG-HNNXBMFYSA-N 2 0 307.438 0.889 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC001685772430 1176042198 /nfs/dbraw/zinc/04/21/98/1176042198.db2.gz IMGFARYXLITFQH-MRXNPFEDSA-N 2 0 306.454 0.925 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001687890202 1176298504 /nfs/dbraw/zinc/29/85/04/1176298504.db2.gz FBTJRDUDWYKLIO-ARFHVFGLSA-N 2 0 306.454 0.923 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H](C)OC)C2)CC1 ZINC001688918536 1176655343 /nfs/dbraw/zinc/65/53/43/1176655343.db2.gz JNNZGSYDUKRLKJ-INMHGKMJSA-N 2 0 321.465 0.851 20 30 DCEDRP CC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001689207979 1176741158 /nfs/dbraw/zinc/74/11/58/1176741158.db2.gz GLBJRHUKJFXSMI-DLBZAZTESA-N 2 0 323.481 0.881 20 30 DCEDRP C#CC[NH+](C)CCOCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001689254485 1176770190 /nfs/dbraw/zinc/77/01/90/1176770190.db2.gz YKTVERUDQPHHSI-IYBDPMFKSA-N 2 0 309.454 0.899 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001690156284 1177182726 /nfs/dbraw/zinc/18/27/26/1177182726.db2.gz LSZBDYSOLDQUEG-HNNXBMFYSA-N 2 0 307.438 0.605 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001690287216 1177207717 /nfs/dbraw/zinc/20/77/17/1177207717.db2.gz SJQRGGKDDRROLP-VGWMRTNUSA-N 2 0 307.438 0.603 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001690287241 1177208055 /nfs/dbraw/zinc/20/80/55/1177208055.db2.gz UBRRWTGIXWEHSD-RBSFLKMASA-N 2 0 322.453 0.352 20 30 DCEDRP COCC#CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001692030243 1177405651 /nfs/dbraw/zinc/40/56/51/1177405651.db2.gz HYBKZHZWPWDKLO-QGZVFWFLSA-N 2 0 321.465 0.758 20 30 DCEDRP C#CCC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001692045810 1177408965 /nfs/dbraw/zinc/40/89/65/1177408965.db2.gz AUYRIDFCKIFCKE-INIZCTEOSA-N 2 0 309.454 0.635 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001698609481 1177580117 /nfs/dbraw/zinc/58/01/17/1177580117.db2.gz GHHFXOCMXSRKAC-KKUMJFAQSA-N 2 0 324.469 0.503 20 30 DCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001698714880 1177615365 /nfs/dbraw/zinc/61/53/65/1177615365.db2.gz PETOYGKJZCILEO-BZUAXINKSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001698732185 1177619893 /nfs/dbraw/zinc/61/98/93/1177619893.db2.gz SITHHVVEYLHFDF-ZNMIVQPWSA-N 2 0 322.453 0.045 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001699011924 1177770354 /nfs/dbraw/zinc/77/03/54/1177770354.db2.gz ATZMVRZHPUKUKQ-JKSUJKDBSA-N 2 0 321.465 0.995 20 30 DCEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001699898490 1178347916 /nfs/dbraw/zinc/34/79/16/1178347916.db2.gz OFZOHPHAKSZHMA-INIZCTEOSA-N 2 0 305.422 0.191 20 30 DCEDRP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001699908107 1178364011 /nfs/dbraw/zinc/36/40/11/1178364011.db2.gz VBBDRTRZTMTSEL-NVXWUHKLSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC1(O)CN(CCCC=C)C1 ZINC001699916142 1178374913 /nfs/dbraw/zinc/37/49/13/1178374913.db2.gz NZCJHXXDAJGOOM-HNNXBMFYSA-N 2 0 305.422 0.213 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001700020525 1178434761 /nfs/dbraw/zinc/43/47/61/1178434761.db2.gz YKGKKUMFPJRJSQ-DLBZAZTESA-N 2 0 321.465 0.899 20 30 DCEDRP CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001700602256 1178674723 /nfs/dbraw/zinc/67/47/23/1178674723.db2.gz DCCCHZLMTCRPJC-HUUCEWRRSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001700626031 1178684008 /nfs/dbraw/zinc/68/40/08/1178684008.db2.gz RQUMORUELKJRPY-CVEARBPZSA-N 2 0 319.449 0.701 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001700634938 1178685948 /nfs/dbraw/zinc/68/59/48/1178685948.db2.gz TUHNUCBQZQMUOY-HDJSIYSDSA-N 2 0 322.453 0.257 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001700936673 1178814249 /nfs/dbraw/zinc/81/42/49/1178814249.db2.gz IVAPMNZBBAOCQB-OAHLLOKOSA-N 2 0 309.454 0.683 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001700938552 1178815955 /nfs/dbraw/zinc/81/59/55/1178815955.db2.gz UTJLIGHVXCEERH-HNNXBMFYSA-N 2 0 309.454 0.683 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001707075295 1180410686 /nfs/dbraw/zinc/41/06/86/1180410686.db2.gz RIXYXHHDBCPBMZ-CALCHBBNSA-N 2 0 321.465 0.997 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1OCC ZINC001707151026 1180424012 /nfs/dbraw/zinc/42/40/12/1180424012.db2.gz RDFWGTIGVGLLNE-BZUAXINKSA-N 2 0 307.438 0.415 20 30 DCEDRP C=CCCC[NH+]1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001713079212 1180671254 /nfs/dbraw/zinc/67/12/54/1180671254.db2.gz ZIJPVCFDXDJWAB-INIZCTEOSA-N 2 0 308.470 0.638 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001713160066 1180702882 /nfs/dbraw/zinc/70/28/82/1180702882.db2.gz USAPJHKVLZEYNH-RBSFLKMASA-N 2 0 322.453 0.400 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001713175951 1180707969 /nfs/dbraw/zinc/70/79/69/1180707969.db2.gz UMFQBJBMLCAFLS-SHTZXODSSA-N 2 0 322.453 0.401 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001713173449 1180708126 /nfs/dbraw/zinc/70/81/26/1180708126.db2.gz XJTAEKVLFWCBGM-VQHPVUNQSA-N 2 0 321.465 0.993 20 30 DCEDRP COCC#CC[NH+]1CCC(N(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001713782453 1181062807 /nfs/dbraw/zinc/06/28/07/1181062807.db2.gz NZOBHQIMZITPKV-UHFFFAOYSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001714016328 1181204522 /nfs/dbraw/zinc/20/45/22/1181204522.db2.gz JQSMNCNJMNFXIX-IGQOVBAYSA-N 2 0 310.442 0.254 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001714157334 1181266657 /nfs/dbraw/zinc/26/66/57/1181266657.db2.gz RUTSIOLGWBUMOE-HZPDHXFCSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH+]1CCN(CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001714891749 1181590786 /nfs/dbraw/zinc/59/07/86/1181590786.db2.gz RMPWZJYLZPFRNV-QGZVFWFLSA-N 2 0 322.497 0.672 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715056219 1181675676 /nfs/dbraw/zinc/67/56/76/1181675676.db2.gz JZGIJUCHDMXAIN-MGPQQGTHSA-N 2 0 310.442 0.113 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001715099967 1181688464 /nfs/dbraw/zinc/68/84/64/1181688464.db2.gz RGNKPVQFTDEYGO-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CN(C)CCO2)cc1 ZINC001715195264 1181712417 /nfs/dbraw/zinc/71/24/17/1181712417.db2.gz UNPQTWJGEGPCDK-KRWDZBQOSA-N 2 0 315.417 0.746 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001715245206 1181732351 /nfs/dbraw/zinc/73/23/51/1181732351.db2.gz MCMKUCNZKWRKMJ-HNNXBMFYSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCC[C@@H](C)O)CC1 ZINC001716670480 1182488544 /nfs/dbraw/zinc/48/85/44/1182488544.db2.gz FRGPGZZSUCMWGU-WBVHZDCISA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CCOC)CC1 ZINC001716790467 1182526172 /nfs/dbraw/zinc/52/61/72/1182526172.db2.gz CQJQVDAOJFQYJB-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001716926112 1182581474 /nfs/dbraw/zinc/58/14/74/1182581474.db2.gz LEAHIAUGEVITOI-WMZOPIPTSA-N 2 0 321.465 0.826 20 30 DCEDRP C#CCC[NH2+]C1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001717015757 1182624319 /nfs/dbraw/zinc/62/43/19/1182624319.db2.gz RFZRRBBEQJAEBW-NVXWUHKLSA-N 2 0 320.481 0.520 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CCO1 ZINC001717182379 1182715182 /nfs/dbraw/zinc/71/51/82/1182715182.db2.gz DMULFTCWEUWKBG-KRWDZBQOSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+](C)CCOCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001717714592 1182967474 /nfs/dbraw/zinc/96/74/74/1182967474.db2.gz QBVJXUUFKZXVAF-MRXNPFEDSA-N 2 0 309.454 0.947 20 30 DCEDRP CN(C[C@@H](O)C[NH2+]CC#Cc1ccccc1)C(=O)CC[NH+](C)C ZINC001717926230 1183067021 /nfs/dbraw/zinc/06/70/21/1183067021.db2.gz RIWWSHQMVDFECM-KRWDZBQOSA-N 2 0 317.433 0.399 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001723680963 1184335401 /nfs/dbraw/zinc/33/54/01/1184335401.db2.gz UCRMYOYAPQZVFR-SFHVURJKSA-N 2 0 321.465 0.902 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC001724840807 1184587237 /nfs/dbraw/zinc/58/72/37/1184587237.db2.gz BJUYKKOKFMUFQX-OAHLLOKOSA-N 2 0 324.469 0.601 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001724942696 1184630700 /nfs/dbraw/zinc/63/07/00/1184630700.db2.gz XKXTYCHARVBIRG-CABCVRRESA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001724984147 1184644880 /nfs/dbraw/zinc/64/48/80/1184644880.db2.gz FGVPTYOQRGAFFW-MRXNPFEDSA-N 2 0 321.465 0.827 20 30 DCEDRP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001725112616 1184686623 /nfs/dbraw/zinc/68/66/23/1184686623.db2.gz MHKDZLIRHBWLRP-KBPBESRZSA-N 2 0 305.426 0.564 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001725496952 1184846620 /nfs/dbraw/zinc/84/66/20/1184846620.db2.gz FUZLSYKSCPIKSQ-AWEZNQCLSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCO)[C@H]2C)CC1 ZINC001725598929 1184906657 /nfs/dbraw/zinc/90/66/57/1184906657.db2.gz BWIAKSBRILXJCJ-ZBFHGGJFSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001725805709 1185003038 /nfs/dbraw/zinc/00/30/38/1185003038.db2.gz VIVJEJZPHDOZLP-INIZCTEOSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001731297450 1185246983 /nfs/dbraw/zinc/24/69/83/1185246983.db2.gz NNYSWXOADUGRGA-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001731383667 1185311747 /nfs/dbraw/zinc/31/17/47/1185311747.db2.gz UMGADCWGCJJNKN-INIZCTEOSA-N 2 0 319.449 0.701 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001731859698 1185533114 /nfs/dbraw/zinc/53/31/14/1185533114.db2.gz YGUUXLKSRTVUEJ-HOTGVXAUSA-N 2 0 307.438 0.416 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001731859671 1185533743 /nfs/dbraw/zinc/53/37/43/1185533743.db2.gz FKHRXVQXDMVOTM-GJZGRUSLSA-N 2 0 322.453 0.211 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001733483398 1186291870 /nfs/dbraw/zinc/29/18/70/1186291870.db2.gz RXBJLNWFFXBERT-GDBMZVCRSA-N 2 0 315.433 0.795 20 30 DCEDRP C=CCOCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001733749516 1186430878 /nfs/dbraw/zinc/43/08/78/1186430878.db2.gz DBOBHGAFVBSTNW-HNNXBMFYSA-N 2 0 311.426 0.102 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001733825572 1186464619 /nfs/dbraw/zinc/46/46/19/1186464619.db2.gz AYIYADHHZHRHPP-GOSISDBHSA-N 2 0 321.465 0.829 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)C[N@@H+](C)C(C)C)CC2 ZINC001734201434 1186577083 /nfs/dbraw/zinc/57/70/83/1186577083.db2.gz KHILGGYHCVKJNW-INIZCTEOSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001734545085 1186686681 /nfs/dbraw/zinc/68/66/81/1186686681.db2.gz QTXZNXFXZATPBF-HZPDHXFCSA-N 2 0 309.454 0.635 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCC[C@H](C)O)C2)CC1 ZINC001752686928 1188433515 /nfs/dbraw/zinc/43/35/15/1188433515.db2.gz FGXLCESALFIWBN-XIRDDKMYSA-N 2 0 321.465 0.729 20 30 DCEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001752731161 1188435439 /nfs/dbraw/zinc/43/54/39/1188435439.db2.gz LLMQRURXNPNRGD-OKILXGFUSA-N 2 0 305.426 0.871 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+](C)CCC)C2)C1=O ZINC001752773729 1188438066 /nfs/dbraw/zinc/43/80/66/1188438066.db2.gz VZWAWEUKTFOOMF-QLFBSQMISA-N 2 0 322.453 0.352 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001752782749 1188440318 /nfs/dbraw/zinc/44/03/18/1188440318.db2.gz APWFATURGOCOEY-BRWVUGGUSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001753340166 1188567735 /nfs/dbraw/zinc/56/77/35/1188567735.db2.gz ZAMPSWVHIKABLC-HZPDHXFCSA-N 2 0 307.438 0.416 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001753349042 1188571055 /nfs/dbraw/zinc/57/10/55/1188571055.db2.gz HQXRKZBQETUWES-IXDOHACOSA-N 2 0 321.465 0.757 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]CC#CCOC)CC1 ZINC001753644558 1188629586 /nfs/dbraw/zinc/62/95/86/1188629586.db2.gz IZAJBBOXCCXPKB-INIZCTEOSA-N 2 0 319.449 0.323 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC#CCOC ZINC001753729232 1188648591 /nfs/dbraw/zinc/64/85/91/1188648591.db2.gz IVFYFRFXNUJCMR-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001753766910 1188653229 /nfs/dbraw/zinc/65/32/29/1188653229.db2.gz LLJLAAGPNAJXKO-HZPDHXFCSA-N 2 0 319.449 0.559 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC#CCOC ZINC001754024930 1188714489 /nfs/dbraw/zinc/71/44/89/1188714489.db2.gz ADZQUEYCAJOLIE-JKSUJKDBSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001754414322 1188849216 /nfs/dbraw/zinc/84/92/16/1188849216.db2.gz ZZKCACFMTDBPLG-UONOGXRCSA-N 2 0 310.442 0.067 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC#CCOC ZINC001754415710 1188850127 /nfs/dbraw/zinc/85/01/27/1188850127.db2.gz AUYRHTZTOWMHFV-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001754521459 1188873847 /nfs/dbraw/zinc/87/38/47/1188873847.db2.gz HEMGAVALBBRYOS-UHFFFAOYSA-N 2 0 322.453 0.401 20 30 DCEDRP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001754666144 1188899575 /nfs/dbraw/zinc/89/95/75/1188899575.db2.gz WYVODESTNZRLHJ-KRWDZBQOSA-N 2 0 320.481 0.568 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@H](C[NH2+]CC#CC)C2)CC1 ZINC001755017455 1188997767 /nfs/dbraw/zinc/99/77/67/1188997767.db2.gz LRYYIQBKZULSEE-QGZVFWFLSA-N 2 0 317.433 0.172 20 30 DCEDRP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001755088316 1189018495 /nfs/dbraw/zinc/01/84/95/1189018495.db2.gz RNCCBJFTJYPPKH-QGZVFWFLSA-N 2 0 309.454 0.847 20 30 DCEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001755378766 1189096009 /nfs/dbraw/zinc/09/60/09/1189096009.db2.gz PPSGHQASHVGNBX-HNNXBMFYSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC001755705081 1189190258 /nfs/dbraw/zinc/19/02/58/1189190258.db2.gz UMEWKFBEKPSTQJ-SOLBZPMBSA-N 2 0 319.449 0.701 20 30 DCEDRP COCC#CC[NH+]1CCC([C@@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001755844616 1189233601 /nfs/dbraw/zinc/23/36/01/1189233601.db2.gz CJJZICXGIXSABF-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC([C@@H]3CC[NH2+]C3)CC1)C2 ZINC001771873726 1190538759 /nfs/dbraw/zinc/53/87/59/1190538759.db2.gz UCAIGKBNSVEZFK-CTMQZQKCSA-N 2 0 316.449 0.974 20 30 DCEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001088574622 749679124 /nfs/dbraw/zinc/67/91/24/749679124.db2.gz GDJPMVBFGBTRSB-KGLIPLIRSA-N 2 0 305.426 0.823 20 30 DCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001077131801 750216814 /nfs/dbraw/zinc/21/68/14/750216814.db2.gz KZSGWHDLIGMWMF-BZUAXINKSA-N 2 0 309.454 0.987 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001077219200 750275838 /nfs/dbraw/zinc/27/58/38/750275838.db2.gz LQKHXJBWLJVHRH-HUUCEWRRSA-N 2 0 307.438 0.600 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCO)[C@@H]2C)CC1 ZINC001089060156 750782287 /nfs/dbraw/zinc/78/22/87/750782287.db2.gz WHGATUPGDSCVLC-ZBFHGGJFSA-N 2 0 307.438 0.293 20 30 DCEDRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]([NH2+]CC#CCOC)C12CCC2 ZINC001203522689 751289603 /nfs/dbraw/zinc/28/96/03/751289603.db2.gz NXSMTQXRPWUFII-JKSUJKDBSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001045444847 753196942 /nfs/dbraw/zinc/19/69/42/753196942.db2.gz YPGYSEDCTDWRRL-HUUCEWRRSA-N 2 0 305.422 0.454 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001047380970 754227681 /nfs/dbraw/zinc/22/76/81/754227681.db2.gz BZBBEXNJYJNGOB-PMPSAXMXSA-N 2 0 307.438 0.408 20 30 DCEDRP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001047385990 754234989 /nfs/dbraw/zinc/23/49/89/754234989.db2.gz HUFXZECWBYVQSK-FZKCQIBNSA-N 2 0 309.454 0.796 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047599021 754425697 /nfs/dbraw/zinc/42/56/97/754425697.db2.gz ZGDXXRSHVIZTMX-GJZGRUSLSA-N 2 0 307.438 0.552 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+](CCCC)C[C@@H]2O)CC1 ZINC001047638085 754452654 /nfs/dbraw/zinc/45/26/54/754452654.db2.gz AVBDRKJTCATXHM-IRXDYDNUSA-N 2 0 321.465 0.635 20 30 DCEDRP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833951 754967807 /nfs/dbraw/zinc/96/78/07/754967807.db2.gz WBIRQEZWVQUZPH-YVSFHVDLSA-N 2 0 317.433 0.263 20 30 DCEDRP C=CCNC(=O)[C@H](C)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903511267 755243370 /nfs/dbraw/zinc/24/33/70/755243370.db2.gz ZJASDQKJFSFGKF-CWRNSKLLSA-N 2 0 306.454 0.578 20 30 DCEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001164538481 757102592 /nfs/dbraw/zinc/10/25/92/757102592.db2.gz IJLUNXHLUZLSIR-ZDUSSCGKSA-N 2 0 303.834 0.944 20 30 DCEDRP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001083183081 757560848 /nfs/dbraw/zinc/56/08/48/757560848.db2.gz MIRJODBHBYRJRU-JKSUJKDBSA-N 2 0 305.422 0.263 20 30 DCEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)CC1 ZINC001050525243 757795570 /nfs/dbraw/zinc/79/55/70/757795570.db2.gz DDRDDCPUPKUXHR-JKSUJKDBSA-N 2 0 319.449 0.960 20 30 DCEDRP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001051995961 759097816 /nfs/dbraw/zinc/09/78/16/759097816.db2.gz HRBIEZHPFDZPTQ-DLBZAZTESA-N 2 0 318.465 0.322 20 30 DCEDRP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001052571518 759499112 /nfs/dbraw/zinc/49/91/12/759499112.db2.gz GWJAPHDUADYYRS-BNQMIIOLSA-N 2 0 317.433 0.454 20 30 DCEDRP C#CC[NH+](CCO)C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001098410501 759760527 /nfs/dbraw/zinc/76/05/27/759760527.db2.gz PYEDRNUCZJUQCN-UHFFFAOYSA-N 2 0 309.454 0.635 20 30 DCEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001086431686 760183228 /nfs/dbraw/zinc/18/32/28/760183228.db2.gz AAYGSDSLKVUAEJ-RJZXRHAOSA-N 2 0 305.422 0.520 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100124272 760440782 /nfs/dbraw/zinc/44/07/82/760440782.db2.gz FUMHUZSYVNTQMM-JKSUJKDBSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001148277927 767957874 /nfs/dbraw/zinc/95/78/74/767957874.db2.gz NNQQCBZQHWYAOX-MRXNPFEDSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169808056 760866852 /nfs/dbraw/zinc/86/68/52/760866852.db2.gz AXULEXNOZMCOBC-LSDHHAIUSA-N 2 0 322.453 0.095 20 30 DCEDRP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@H](C)O2 ZINC001071175334 761684259 /nfs/dbraw/zinc/68/42/59/761684259.db2.gz CKTHEBKPUDBGTB-DOTOQJQBSA-N 2 0 319.449 0.796 20 30 DCEDRP C=C(Br)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129436102 762942750 /nfs/dbraw/zinc/94/27/50/762942750.db2.gz MRSWLCFYXYSEDN-LLVKDONJSA-N 2 0 304.232 0.941 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129856203 763026409 /nfs/dbraw/zinc/02/64/09/763026409.db2.gz OGBJCLWUJQNZFL-UONOGXRCSA-N 2 0 310.442 0.257 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130192073 763170210 /nfs/dbraw/zinc/17/02/10/763170210.db2.gz GCUOIFGXMMAOPB-KBPBESRZSA-N 2 0 308.426 0.011 20 30 DCEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100075929 763285888 /nfs/dbraw/zinc/28/58/88/763285888.db2.gz CKCUCBQOEHGBLG-CABCVRRESA-N 2 0 313.442 0.082 20 30 DCEDRP C#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001130452284 763320561 /nfs/dbraw/zinc/32/05/61/763320561.db2.gz AGAMBNGHQWHFIK-CQSZACIVSA-N 2 0 317.437 0.789 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130737245 763466664 /nfs/dbraw/zinc/46/66/64/763466664.db2.gz ZMDXYNJWOUHBPD-GOEBONIOSA-N 2 0 319.453 0.830 20 30 DCEDRP C#CC[NH+]1CC[C@]2(C1)CN(C(=O)CC[N@@H+](C)CC)C[C@@H](C)O2 ZINC001131694119 763954751 /nfs/dbraw/zinc/95/47/51/763954751.db2.gz UOKFGHOMHZOQBW-WBVHZDCISA-N 2 0 307.438 0.653 20 30 DCEDRP C#CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@@H+](C)CCC)C[C@@H](C)O2 ZINC001131697624 763955990 /nfs/dbraw/zinc/95/59/90/763955990.db2.gz OBVLGQLLBVWLLX-WBVHZDCISA-N 2 0 307.438 0.653 20 30 DCEDRP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158509044 764133637 /nfs/dbraw/zinc/13/36/37/764133637.db2.gz ZAWUBKYUBYUALY-CABCVRRESA-N 2 0 311.426 0.148 20 30 DCEDRP C#CC[N@H+]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132406185 764442177 /nfs/dbraw/zinc/44/21/77/764442177.db2.gz FKOHOGVUMLTKQX-HUUCEWRRSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092276314 768255684 /nfs/dbraw/zinc/25/56/84/768255684.db2.gz KZUPAEUPQMGGTQ-JZXOWHBKSA-N 2 0 319.449 0.368 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398239 765049415 /nfs/dbraw/zinc/04/94/15/765049415.db2.gz JEASYWCARYJFPG-HZPDHXFCSA-N 2 0 309.454 0.662 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)C[N@H+]2CCC(C)(C)C2)C1=O ZINC001133896652 765215662 /nfs/dbraw/zinc/21/56/62/765215662.db2.gz MZHNXUFQVDMCTF-AWEZNQCLSA-N 2 0 322.453 0.211 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583983 765580561 /nfs/dbraw/zinc/58/05/61/765580561.db2.gz POPOQSXOJOIQHO-LSDHHAIUSA-N 2 0 309.454 0.993 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)CCCCCC ZINC001135440304 765938642 /nfs/dbraw/zinc/93/86/42/765938642.db2.gz KSYYSBZQCHALJD-OAHLLOKOSA-N 2 0 324.469 0.342 20 30 DCEDRP N#CCC(=O)Nc1nc2ccccc2nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170896564 766248820 /nfs/dbraw/zinc/24/88/20/766248820.db2.gz HFSYXJJQEJTGDG-GFCCVEGCSA-N 2 0 313.365 0.918 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C[C@H]2O)CC1 ZINC001090830592 766649012 /nfs/dbraw/zinc/64/90/12/766649012.db2.gz NNVRQXMQKJRSCD-DLBZAZTESA-N 2 0 319.449 0.293 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001171225865 767048605 /nfs/dbraw/zinc/04/86/05/767048605.db2.gz AMCBMXYAYZEOLD-CABCVRRESA-N 2 0 322.453 0.211 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCO)CC1 ZINC001146609394 767488180 /nfs/dbraw/zinc/48/81/80/767488180.db2.gz FCEOMOKXIXSKCF-CABCVRRESA-N 2 0 309.454 0.587 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001147359927 767724395 /nfs/dbraw/zinc/72/43/95/767724395.db2.gz XIPUMQKVEHNMBI-HNNXBMFYSA-N 2 0 322.453 0.096 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151354738 769321883 /nfs/dbraw/zinc/32/18/83/769321883.db2.gz SQEDJAUISMPGIH-UHFFFAOYSA-N 2 0 310.442 0.261 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)CC[N@@H+](C)CCC)C1=O ZINC001171726250 769360067 /nfs/dbraw/zinc/36/00/67/769360067.db2.gz YWFRXDJXSBWIOD-HNNXBMFYSA-N 2 0 324.469 0.601 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC001153301239 769776322 /nfs/dbraw/zinc/77/63/22/769776322.db2.gz MRDNBTNDXWEUJK-OAHLLOKOSA-N 2 0 322.453 0.096 20 30 DCEDRP Cc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c(C#N)c1 ZINC001235870097 769953988 /nfs/dbraw/zinc/95/39/88/769953988.db2.gz HXCSYGNZTXXHMK-UHFFFAOYSA-N 2 0 301.438 0.451 20 30 DCEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176169649 770042394 /nfs/dbraw/zinc/04/23/94/770042394.db2.gz NNBZCTZCCWXFCW-GFCCVEGCSA-N 2 0 303.834 0.803 20 30 DCEDRP N#Cc1ccc(CS(=O)(=O)NCCC[NH2+]CCC[NH3+])cc1 ZINC001238878338 770140052 /nfs/dbraw/zinc/14/00/52/770140052.db2.gz CWOQALIHAPNVIR-UHFFFAOYSA-N 2 0 310.423 0.306 20 30 DCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001179179383 770953997 /nfs/dbraw/zinc/95/39/97/770953997.db2.gz VGFKNXISGWHFRU-GZOJWHRLSA-N 2 0 317.433 0.452 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001179852177 771023412 /nfs/dbraw/zinc/02/34/12/771023412.db2.gz CCHFJGAFHDXWTP-KKUMJFAQSA-N 2 0 324.469 0.598 20 30 DCEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001179929777 771035771 /nfs/dbraw/zinc/03/57/71/771035771.db2.gz UVDTXYGVYABQAA-GJZGRUSLSA-N 2 0 307.438 0.864 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001179983352 771043315 /nfs/dbraw/zinc/04/33/15/771043315.db2.gz XOSADTORMJNILF-ILXRZTDVSA-N 2 0 324.469 0.598 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)CC[N@@H+](C)CC ZINC001179988515 771044483 /nfs/dbraw/zinc/04/44/83/771044483.db2.gz JONBGPIDFLILFB-UHFFFAOYSA-N 2 0 324.469 0.344 20 30 DCEDRP COc1ccc(C#N)cc1C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151048441 771316059 /nfs/dbraw/zinc/31/60/59/771316059.db2.gz BBULQLFVUNYYCH-CQSZACIVSA-N 2 0 316.405 0.724 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001182473105 771497382 /nfs/dbraw/zinc/49/73/82/771497382.db2.gz OIRJWUIWUCHQPS-CABCVRRESA-N 2 0 322.453 0.352 20 30 DCEDRP N#CCCN(Cc1cccnc1)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157720597 771658316 /nfs/dbraw/zinc/65/83/16/771658316.db2.gz MIKPMZCSRJVPLM-NVXWUHKLSA-N 2 0 313.405 0.523 20 30 DCEDRP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001158282168 771752067 /nfs/dbraw/zinc/75/20/67/771752067.db2.gz MNONTBQUKXNCIG-SJORKVTESA-N 2 0 321.465 0.853 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001159356359 771900571 /nfs/dbraw/zinc/90/05/71/771900571.db2.gz XHSLJIACVUHISQ-GJZGRUSLSA-N 2 0 322.453 0.095 20 30 DCEDRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC#CCOC)C1)[NH+](CC)CC ZINC001185610124 771935323 /nfs/dbraw/zinc/93/53/23/771935323.db2.gz ROVJIWSSHRZIGG-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001185610158 771935375 /nfs/dbraw/zinc/93/53/75/771935375.db2.gz SJBRPGLGPJOYPP-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001185679256 771947263 /nfs/dbraw/zinc/94/72/63/771947263.db2.gz BCLDZPDEESKTHJ-IAGOWNOFSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCOC(=O)N[C@@H]1CCCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161536516 772241268 /nfs/dbraw/zinc/24/12/68/772241268.db2.gz FILOEDANUWXAKQ-ZIAGYGMSSA-N 2 0 324.425 0.217 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1=O ZINC001188158343 772277649 /nfs/dbraw/zinc/27/76/49/772277649.db2.gz LLXFVOAFKVHOMW-CABCVRRESA-N 2 0 322.453 0.304 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188979782 772404606 /nfs/dbraw/zinc/40/46/06/772404606.db2.gz SUVVFUCHVCHGPY-JKSUJKDBSA-N 2 0 307.438 0.511 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166627383 772831632 /nfs/dbraw/zinc/83/16/32/772831632.db2.gz UOBSRQRHXGFVBS-UONOGXRCSA-N 2 0 310.442 0.257 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001166758930 772856282 /nfs/dbraw/zinc/85/62/82/772856282.db2.gz NFQZPUOKWZAWCC-UHFFFAOYSA-N 2 0 310.442 0.116 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166987807 772897611 /nfs/dbraw/zinc/89/76/11/772897611.db2.gz VUVSMQRVHHFKOW-CQSZACIVSA-N 2 0 324.469 0.505 20 30 DCEDRP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487778 773069809 /nfs/dbraw/zinc/06/98/09/773069809.db2.gz FJJMVQFLSGYPJE-HNNXBMFYSA-N 2 0 313.442 0.300 20 30 DCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001208065849 773391187 /nfs/dbraw/zinc/39/11/87/773391187.db2.gz GHMYDWHEVXTNKI-HNNXBMFYSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001208414589 773455891 /nfs/dbraw/zinc/45/58/91/773455891.db2.gz TVHUUVQAISMZHT-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001208494144 773478932 /nfs/dbraw/zinc/47/89/32/773478932.db2.gz HSJFLLQJEKIYMU-RBSFLKMASA-N 2 0 322.453 0.162 20 30 DCEDRP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001208590456 773503849 /nfs/dbraw/zinc/50/38/49/773503849.db2.gz GIVIWPZWROHDIV-ARFHVFGLSA-N 2 0 309.454 0.967 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001209633356 773627282 /nfs/dbraw/zinc/62/72/82/773627282.db2.gz SWZHTSXFUQPLLN-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001209641306 773628196 /nfs/dbraw/zinc/62/81/96/773628196.db2.gz IJJSNXNYKGYSFR-HOTGVXAUSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001209668735 773632615 /nfs/dbraw/zinc/63/26/15/773632615.db2.gz HVZHOAPRGHAMEA-KGLIPLIRSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CCCOC)C2)CC1 ZINC001211234100 773784234 /nfs/dbraw/zinc/78/42/34/773784234.db2.gz UHZFLSYJFNTTKK-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197948779 773827867 /nfs/dbraw/zinc/82/78/67/773827867.db2.gz LOTFAXLRXMNDFY-HUUCEWRRSA-N 2 0 313.442 0.082 20 30 DCEDRP C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001198097777 773853265 /nfs/dbraw/zinc/85/32/65/773853265.db2.gz HGSQXQMJXHEIIK-CABCVRRESA-N 2 0 322.453 0.163 20 30 DCEDRP CC#CCN1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198743364 773969742 /nfs/dbraw/zinc/96/97/42/773969742.db2.gz AEFINNIMIGWHQM-HZPDHXFCSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001199095796 774028830 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311.426 0.100 20 30 DCEDRP N#Cc1c(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)sc2c1CC[NH2+]C2 ZINC001218555291 774245564 /nfs/dbraw/zinc/24/55/64/774245564.db2.gz ZLUUUGVWKRFDAH-VFZGTOFNSA-N 2 0 318.402 0.440 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCCO1 ZINC001200887177 774425268 /nfs/dbraw/zinc/42/52/68/774425268.db2.gz JCEFFUOMNFFSAF-MRXNPFEDSA-N 2 0 319.449 0.845 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCO1 ZINC001201246298 774470972 /nfs/dbraw/zinc/47/09/72/774470972.db2.gz RCRPGYOPZOXDCW-ULQDDVLXSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001201321541 774487239 /nfs/dbraw/zinc/48/72/39/774487239.db2.gz OWRIORUKZHVIFZ-UHFFFAOYSA-N 2 0 324.469 0.600 20 30 DCEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201863576 774559683 /nfs/dbraw/zinc/55/96/83/774559683.db2.gz NURJDOHQUAEXQF-HNNXBMFYSA-N 2 0 313.442 0.348 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001202238365 774625631 /nfs/dbraw/zinc/62/56/31/774625631.db2.gz DDBNDRUXDFMBEB-CQSZACIVSA-N 2 0 322.453 0.047 20 30 DCEDRP N#Cc1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)cc1F ZINC001220449400 774813017 /nfs/dbraw/zinc/81/30/17/774813017.db2.gz SJLRVHHFISNPEC-CZUORRHYSA-N 2 0 302.353 0.513 20 30 DCEDRP COC(=O)c1ccc(C(=[NH2+])NC(O)=C(N)C2CC[NH2+]CC2)cc1 ZINC001220579117 774851352 /nfs/dbraw/zinc/85/13/52/774851352.db2.gz FBRAWEHKTPINAQ-ZDUSSCGKSA-N 2 0 318.377 0.032 20 30 DCEDRP N=C(NC(=O)[C@@H]([NH3+])CCC[NH3+])c1ccc2cc(O)ccc2c1 ZINC001220634418 774871786 /nfs/dbraw/zinc/87/17/86/774871786.db2.gz NYQORGMCKZLMFP-AWEZNQCLSA-N 2 0 300.362 0.844 20 30 DCEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937171 774957500 /nfs/dbraw/zinc/95/75/00/774957500.db2.gz NNWROANWCZGNDD-HOTGVXAUSA-N 2 0 316.405 0.313 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223387749 775486815 /nfs/dbraw/zinc/48/68/15/775486815.db2.gz MODOFOLJYKSCPJ-SJORKVTESA-N 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ZINC001317780268 945186580 /nfs/dbraw/zinc/18/65/80/945186580.db2.gz UGJUVTVXENFALX-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCN1C[C@]2(CC[N@@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001273039825 945212463 /nfs/dbraw/zinc/21/24/63/945212463.db2.gz WLSJNMHBIPNQDN-GOSISDBHSA-N 2 0 319.449 0.655 20 30 DCEDRP COCC#CC[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001266377635 939101293 /nfs/dbraw/zinc/10/12/93/939101293.db2.gz ZUHDGCOOAGHLMM-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267303609 939420438 /nfs/dbraw/zinc/42/04/38/939420438.db2.gz PQPKOGUTIIMQEW-JKSUJKDBSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001267453453 939459328 /nfs/dbraw/zinc/45/93/28/939459328.db2.gz CMRWQUJMVXIKRO-CVEARBPZSA-N 2 0 307.438 0.653 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267596467 939538303 /nfs/dbraw/zinc/53/83/03/939538303.db2.gz ZYZDOMFLZRZEBS-MRXNPFEDSA-N 2 0 319.449 0.560 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCOC)C2)CC1 ZINC001267634979 939605741 /nfs/dbraw/zinc/60/57/41/939605741.db2.gz YTBNLEKXHFEYRE-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)CN1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267791185 939683842 /nfs/dbraw/zinc/68/38/42/939683842.db2.gz VWTNUJCEISZCQN-GJZGRUSLSA-N 2 0 322.453 0.163 20 30 DCEDRP C#CCC[NH+]1CCN(CCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001481472631 939886923 /nfs/dbraw/zinc/88/69/23/939886923.db2.gz UNMZWSQLNFHHPY-QGZVFWFLSA-N 2 0 320.481 0.428 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001268068352 939922809 /nfs/dbraw/zinc/92/28/09/939922809.db2.gz LJPKWOGCHMMSMX-ZIAGYGMSSA-N 2 0 324.469 0.598 20 30 DCEDRP C=CCNC(=O)[C@@H](C)N1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481537453 939926259 /nfs/dbraw/zinc/92/62/59/939926259.db2.gz INBZEFQPKMCOSK-ILXRZTDVSA-N 2 0 324.469 0.598 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCCCOC)C2)CC1 ZINC001481660402 940019705 /nfs/dbraw/zinc/01/97/05/940019705.db2.gz IGPFPQZCLRQGKM-UHFFFAOYSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001482026633 940210239 /nfs/dbraw/zinc/21/02/39/940210239.db2.gz YOWSERNDWAIZGH-ULQDDVLXSA-N 2 0 321.465 0.995 20 30 DCEDRP N#Cc1cc(NC[C@]2(O)CCC[NH2+]C2)ccc1N1CC[NH2+]CC1 ZINC001245965200 945303953 /nfs/dbraw/zinc/30/39/53/945303953.db2.gz DXJDEHSVZQHHCL-KRWDZBQOSA-N 2 0 315.421 0.494 20 30 DCEDRP N#C[C@@]1(NC[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)CC[NH2+]C1 ZINC001245980161 945304851 /nfs/dbraw/zinc/30/48/51/945304851.db2.gz GTDAZSKJJINXNF-ZNMIVQPWSA-N 2 0 310.348 0.041 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268580031 940263654 /nfs/dbraw/zinc/26/36/54/940263654.db2.gz VMBZVQUXYSEMTG-CNBITHIKSA-N 2 0 322.453 0.423 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001269736470 940766885 /nfs/dbraw/zinc/76/68/85/940766885.db2.gz KKCQBPBAQOTTRB-KRWDZBQOSA-N 2 0 307.438 0.512 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H](C)C1 ZINC001269981432 940810059 /nfs/dbraw/zinc/81/00/59/940810059.db2.gz LSAOOCCKVLLOTL-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001270210825 940857126 /nfs/dbraw/zinc/85/71/26/940857126.db2.gz BADRLLOPLIRBDU-CQSZACIVSA-N 2 0 305.426 0.825 20 30 DCEDRP C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001271201598 941320607 /nfs/dbraw/zinc/32/06/07/941320607.db2.gz SYKQWKZNVZGWLX-NVXWUHKLSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001271711917 941427964 /nfs/dbraw/zinc/42/79/64/941427964.db2.gz MUNSIWMJNIIMSU-CABCVRRESA-N 2 0 322.453 0.069 20 30 DCEDRP C=CCC[NH2+]C[C@H](O)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001482747158 941654448 /nfs/dbraw/zinc/65/44/48/941654448.db2.gz FHYFDGNCRWHYHV-AWEZNQCLSA-N 2 0 315.377 0.524 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001272196125 941793458 /nfs/dbraw/zinc/79/34/58/941793458.db2.gz JDZGIDCQWVHLQO-HOTGVXAUSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1=O ZINC001127066285 942424853 /nfs/dbraw/zinc/42/48/53/942424853.db2.gz LENQKCYVRAHGMF-CABCVRRESA-N 2 0 322.453 0.352 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](CC#C)CC1 ZINC001483957717 943055364 /nfs/dbraw/zinc/05/53/64/943055364.db2.gz CFGPWKKNAWEXIU-QGZVFWFLSA-N 2 0 301.434 0.936 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CCCO)CC1 ZINC001484619553 943480790 /nfs/dbraw/zinc/48/07/90/943480790.db2.gz GUHGNTJFYJGSSY-QGZVFWFLSA-N 2 0 321.465 0.685 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001484638374 943491186 /nfs/dbraw/zinc/49/11/86/943491186.db2.gz BOYRRJDRAKAIQH-HNNXBMFYSA-N 2 0 307.438 0.749 20 30 DCEDRP COCC#CC[N@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001484758814 943561342 /nfs/dbraw/zinc/56/13/42/943561342.db2.gz LNKJDLIOMUPGPW-INIZCTEOSA-N 2 0 309.454 0.758 20 30 DCEDRP C=C(Cl)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001484950264 943630500 /nfs/dbraw/zinc/63/05/00/943630500.db2.gz VRNQQVXWXPZXMI-ZDUSSCGKSA-N 2 0 315.845 0.776 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001485021109 943660672 /nfs/dbraw/zinc/66/06/72/943660672.db2.gz ZYGMQMLTUUNJHO-CVEARBPZSA-N 2 0 319.449 0.580 20 30 DCEDRP C=C(C)CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001485027317 943662267 /nfs/dbraw/zinc/66/22/67/943662267.db2.gz PKTWJTMQCUHXHE-OAHLLOKOSA-N 2 0 309.454 0.847 20 30 DCEDRP C=C(C)CC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001485027316 943662293 /nfs/dbraw/zinc/66/22/93/943662293.db2.gz PKTWJTMQCUHXHE-HNNXBMFYSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]([C@@H](C)[NH2+]CC=C)C2)CC1 ZINC001485650149 944052899 /nfs/dbraw/zinc/05/28/99/944052899.db2.gz JPFSAOVPUBGRFE-NVXWUHKLSA-N 2 0 319.449 0.723 20 30 DCEDRP C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC001276778493 944296059 /nfs/dbraw/zinc/29/60/59/944296059.db2.gz MSKYUGWEPKPOPV-HZPDHXFCSA-N 2 0 319.449 0.701 20 30 DCEDRP C#CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001276780599 944299203 /nfs/dbraw/zinc/29/92/03/944299203.db2.gz ZFGCVLKRQLPJCS-JKSUJKDBSA-N 2 0 319.449 0.844 20 30 DCEDRP C#CCN1C(=O)C[C@@]2(CCC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001272888106 944300294 /nfs/dbraw/zinc/30/02/94/944300294.db2.gz OKJSCLXWHCWLOZ-GOSISDBHSA-N 2 0 317.433 0.803 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001277060250 944645565 /nfs/dbraw/zinc/64/55/65/944645565.db2.gz LOFKQNJWFZOHQG-HNNXBMFYSA-N 2 0 307.438 0.747 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCOC(C)C)CC2)CC1 ZINC001277258845 944727546 /nfs/dbraw/zinc/72/75/46/944727546.db2.gz CSSNXQADHJAMGF-UHFFFAOYSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001486353091 944810186 /nfs/dbraw/zinc/81/01/86/944810186.db2.gz UKLSUMPBYXGAAH-MRXNPFEDSA-N 2 0 309.454 0.491 20 30 DCEDRP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001486341685 944821565 /nfs/dbraw/zinc/82/15/65/944821565.db2.gz TWAHIHDERATCPC-MRXNPFEDSA-N 2 0 321.465 0.637 20 30 DCEDRP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001277709651 944954533 /nfs/dbraw/zinc/95/45/33/944954533.db2.gz LSQYNWCBQGDVJL-KRWDZBQOSA-N 2 0 321.465 0.947 20 30 DCEDRP N#Cc1cccc(N2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246894286 945512563 /nfs/dbraw/zinc/51/25/63/945512563.db2.gz SZPGFKAPVWBDPO-KRWDZBQOSA-N 2 0 311.433 0.774 20 30 DCEDRP C=CC[C@H]1[NH2+]CCC[C@@H]1N1C[C@H]2CC[NH2+]CC[C@H]2S1(=O)=O ZINC001247008838 945543074 /nfs/dbraw/zinc/54/30/74/945543074.db2.gz LNJVXBBQHFEUNN-APIJFGDWSA-N 2 0 313.467 0.697 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001319590090 945626343 /nfs/dbraw/zinc/62/63/43/945626343.db2.gz OHKBNKMJCBYGRJ-OAHLLOKOSA-N 2 0 322.453 0.048 20 30 DCEDRP COCC#CCN(C)CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001320084355 945734981 /nfs/dbraw/zinc/73/49/81/945734981.db2.gz IDURWKXUCDBTII-HOTGVXAUSA-N 2 0 309.454 0.899 20 30 DCEDRP C#CCOC[C@@H](O)C[NH2+]CC1CC[NH+](Cc2ccccn2)CC1 ZINC001251897222 945811151 /nfs/dbraw/zinc/81/11/51/945811151.db2.gz VUDXZUKIFGFEAE-SFHVURJKSA-N 2 0 317.433 0.894 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCOCC1 ZINC001278710622 946105389 /nfs/dbraw/zinc/10/53/89/946105389.db2.gz CIVAJMWAGGOEMH-HNNXBMFYSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)Cn2ccnc2)C1 ZINC001278752516 946212909 /nfs/dbraw/zinc/21/29/09/946212909.db2.gz HIZJTOSQFVNZMH-CYBMUJFWSA-N 2 0 310.348 0.980 20 30 DCEDRP C=CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001278820514 946442482 /nfs/dbraw/zinc/44/24/82/946442482.db2.gz BEPYJAYPFGTXOP-DLBZAZTESA-N 2 0 307.438 0.601 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)CCO1 ZINC001273365700 946864943 /nfs/dbraw/zinc/86/49/43/946864943.db2.gz MDANXHHBZNEGTE-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001323051935 946915767 /nfs/dbraw/zinc/91/57/67/946915767.db2.gz PLBNZERQLJBNSB-INIZCTEOSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCN(C(=O)C[N@@H+](C)C1CCC1)C1CC[NH+](CCO)CC1 ZINC001324397210 947416531 /nfs/dbraw/zinc/41/65/31/947416531.db2.gz NFUPOMHUBKOPOK-UHFFFAOYSA-N 2 0 307.438 0.389 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001324641542 947488586 /nfs/dbraw/zinc/48/85/86/947488586.db2.gz LYESPJWKTOZKMA-BQFCYCMXSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CCOCC1 ZINC001325003295 947606977 /nfs/dbraw/zinc/60/69/77/947606977.db2.gz RPIYSTYRWQEKSN-HNNXBMFYSA-N 2 0 307.438 0.749 20 30 DCEDRP C#CCN1C(=O)C[C@H]([N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)C1=O ZINC001262379724 947666647 /nfs/dbraw/zinc/66/66/47/947666647.db2.gz JYOCAZYRMVKKKR-YJNKXOJESA-N 2 0 303.406 0.409 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001273446529 947727874 /nfs/dbraw/zinc/72/78/74/947727874.db2.gz RXNURGRUOOQVAR-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)[C@H]1C ZINC001179534264 947854392 /nfs/dbraw/zinc/85/43/92/947854392.db2.gz DNKMGFROLJOICE-KKUMJFAQSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001328206775 948743439 /nfs/dbraw/zinc/74/34/39/948743439.db2.gz BGGLLPLEDYHULH-HNNXBMFYSA-N 2 0 309.454 0.539 20 30 DCEDRP CC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001264077055 948864352 /nfs/dbraw/zinc/86/43/52/948864352.db2.gz RLIXKKGMRMGTKQ-INIZCTEOSA-N 2 0 321.465 0.779 20 30 DCEDRP CC#CC[NH+]1CCC(CO)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001328530445 948944969 /nfs/dbraw/zinc/94/49/69/948944969.db2.gz ZDDPYWSILHIPJA-INIZCTEOSA-N 2 0 321.465 0.827 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001264404737 948960456 /nfs/dbraw/zinc/96/04/56/948960456.db2.gz KQCWHNWONALJKF-UPJWGTAASA-N 2 0 319.409 0.127 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CCO)CC1 ZINC001328674207 949018582 /nfs/dbraw/zinc/01/85/82/949018582.db2.gz PRXKIQACOBYBMS-INIZCTEOSA-N 2 0 307.438 0.295 20 30 DCEDRP CC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001264635094 949036792 /nfs/dbraw/zinc/03/67/92/949036792.db2.gz WNTRHGRTONAPHS-INIZCTEOSA-N 2 0 309.454 0.637 20 30 DCEDRP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001264631831 949038511 /nfs/dbraw/zinc/03/85/11/949038511.db2.gz CBYPWPGXDZOOJD-SJORKVTESA-N 2 0 321.465 0.779 20 30 DCEDRP CC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001264636451 949048530 /nfs/dbraw/zinc/04/85/30/949048530.db2.gz TXVNAXIGJYKDJG-SJORKVTESA-N 2 0 321.465 0.637 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCCC[N@@H+](C)CC[C@H]1CCOC1 ZINC001264997128 949157695 /nfs/dbraw/zinc/15/76/95/949157695.db2.gz XQZFOUXKLXMSEF-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]CC1CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001328875193 949160710 /nfs/dbraw/zinc/16/07/10/949160710.db2.gz CDCIQADYKRCEIH-GPANFISMSA-N 2 0 309.454 0.707 20 30 DCEDRP C[NH+](C)CCCOC1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001329038537 949303883 /nfs/dbraw/zinc/30/38/83/949303883.db2.gz GYQMAHMUZYBGGO-OAHLLOKOSA-N 2 0 310.442 0.967 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[N@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001265104488 949306869 /nfs/dbraw/zinc/30/68/69/949306869.db2.gz UOSNDIYLABHOOZ-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001265261719 949509371 /nfs/dbraw/zinc/50/93/71/949509371.db2.gz RPIULNFGHSVEQV-UHFFFAOYSA-N 2 0 318.465 0.372 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001265630869 949826061 /nfs/dbraw/zinc/82/60/61/949826061.db2.gz ROUDMCJOTHOWLE-CABCVRRESA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001265725753 949903388 /nfs/dbraw/zinc/90/33/88/949903388.db2.gz JMMAMZMMVISLPG-MRLBHPIUSA-N 2 0 322.453 0.064 20 30 DCEDRP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001266070378 950322978 /nfs/dbraw/zinc/32/29/78/950322978.db2.gz BKHRJSWRFCJBRR-CABCVRRESA-N 2 0 307.438 0.747 20 30 DCEDRP COCC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001279395213 950558079 /nfs/dbraw/zinc/55/80/79/950558079.db2.gz FUAFCIDGDIUWKA-IXDOHACOSA-N 2 0 321.465 0.613 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001331439010 951120096 /nfs/dbraw/zinc/12/00/96/951120096.db2.gz LNSLIKJAUBIPEV-GJZGRUSLSA-N 2 0 324.469 0.598 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC#CCOC ZINC001274075656 951404083 /nfs/dbraw/zinc/40/40/83/951404083.db2.gz FPVTYGSLEFDIMY-YIEVGGLXSA-N 2 0 307.438 0.773 20 30 DCEDRP C=CCN1CC[C@@]2(CC[N@@H+](C[C@@H](O)C[NH+](CC)CC)C2)C1=O ZINC001274656834 951768821 /nfs/dbraw/zinc/76/88/21/951768821.db2.gz RXIRKXZMHYXSOA-DOTOQJQBSA-N 2 0 309.454 0.800 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001280581564 951806809 /nfs/dbraw/zinc/80/68/09/951806809.db2.gz CLBVGZOIOSORRA-JKSUJKDBSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[NH2+]C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C(C)(C)C ZINC001332872987 951830157 /nfs/dbraw/zinc/83/01/57/951830157.db2.gz DXMMLUZEVCQGLO-HNNXBMFYSA-N 2 0 319.453 0.812 20 30 DCEDRP COCC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001332941516 951858033 /nfs/dbraw/zinc/85/80/33/951858033.db2.gz XAGIYCLEVPPBBD-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC001334144400 952247266 /nfs/dbraw/zinc/24/72/66/952247266.db2.gz JBFJKPCFJLVZNF-UHFFFAOYSA-N 2 0 318.425 0.664 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)[C@@H](CC)C(N)=O)CC1 ZINC001275729038 952411143 /nfs/dbraw/zinc/41/11/43/952411143.db2.gz JKPOVHUIZQRCEX-HIFRSBDPSA-N 2 0 322.453 0.032 20 30 DCEDRP C#CCCC[N@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001275978206 952581049 /nfs/dbraw/zinc/58/10/49/952581049.db2.gz MGBUNZLSJMHXHS-SFHVURJKSA-N 2 0 320.481 0.618 20 30 DCEDRP C#CC[NH2+]CC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001340112073 953146281 /nfs/dbraw/zinc/14/62/81/953146281.db2.gz LJOCWQZNEOUMHW-UHFFFAOYSA-N 2 0 314.433 0.538 20 30 DCEDRP C#CC[NH2+]CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC001340627624 953183633 /nfs/dbraw/zinc/18/36/33/953183633.db2.gz ONJSYINKBWRFDN-HOTGVXAUSA-N 2 0 301.390 0.480 20 30 DCEDRP C=CC[C@]1(C(=O)NCCCCCN2CC[NH2+]CC2)CCC[NH2+]1 ZINC001341192746 953215637 /nfs/dbraw/zinc/21/56/37/953215637.db2.gz SWGAWVDBPPPPSV-QGZVFWFLSA-N 2 0 308.470 0.876 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001341189873 953215850 /nfs/dbraw/zinc/21/58/50/953215850.db2.gz CTABJUOXMROWAU-CYBMUJFWSA-N 2 0 302.850 0.648 20 30 DCEDRP C=CC[C@@]1(C(=O)N=c2nc(C3CC[NH2+]CC3)[nH]n2C)CCC[NH2+]1 ZINC001341807430 953251003 /nfs/dbraw/zinc/25/10/03/953251003.db2.gz GKJJWIAOEXIJTA-INIZCTEOSA-N 2 0 318.425 0.341 20 30 DCEDRP C=CC[C@@]1(C(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)CCC[NH2+]1 ZINC001342605230 953298285 /nfs/dbraw/zinc/29/82/85/953298285.db2.gz VOEVVTXZZYZYAN-DYVFJYSZSA-N 2 0 321.421 0.486 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001344642767 953508851 /nfs/dbraw/zinc/50/88/51/953508851.db2.gz SNBSQKXOEZAVRQ-HNNXBMFYSA-N 2 0 305.422 0.264 20 30 DCEDRP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1cncn1C ZINC001284516085 955148640 /nfs/dbraw/zinc/14/86/40/955148640.db2.gz HVIRNWVJSCYVDV-HNNXBMFYSA-N 2 0 308.426 0.680 20 30 DCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001317301433 960034373 /nfs/dbraw/zinc/03/43/73/960034373.db2.gz LRQMEKXYWMYBRL-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001316742995 960229608 /nfs/dbraw/zinc/22/96/08/960229608.db2.gz APFDFUQANVQGKQ-HZPDHXFCSA-N 2 0 307.438 0.389 20 30 DCEDRP C#CCC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001316747449 960361957 /nfs/dbraw/zinc/36/19/57/960361957.db2.gz IWEJJHAWPFFYME-MRXNPFEDSA-N 2 0 309.454 0.637 20 30 DCEDRP C#CC[N@@H+](C)CCOCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001316763600 960369334 /nfs/dbraw/zinc/36/93/34/960369334.db2.gz ROJRYSHZXZKIOV-UHFFFAOYSA-N 2 0 321.465 0.902 20 30 DCEDRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC001374684168 965752843 /nfs/dbraw/zinc/75/28/43/965752843.db2.gz LCKYINNBJXNHMZ-LBPRGKRZSA-N 2 0 324.450 0.527 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001394746514 994099123 /nfs/dbraw/zinc/09/91/23/994099123.db2.gz WTJRNYZUZCFULV-CYBMUJFWSA-N 2 0 315.845 0.776 20 30 DCEDRP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001502585879 1015985017 /nfs/dbraw/zinc/98/50/17/1015985017.db2.gz AANHQZOBAAFINZ-QGZVFWFLSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001502591621 1015988097 /nfs/dbraw/zinc/98/80/97/1015988097.db2.gz CRYQJARQUWJZMK-FUHWJXTLSA-N 2 0 321.465 0.826 20 30 DCEDRP CC#CC[NH2+][C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001502747533 1016054374 /nfs/dbraw/zinc/05/43/74/1016054374.db2.gz FBFBAWBLEWATIY-ZBFHGGJFSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001507401101 1016305496 /nfs/dbraw/zinc/30/54/96/1016305496.db2.gz SIEVYOYOZVIOBW-HOTGVXAUSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001507429034 1016321837 /nfs/dbraw/zinc/32/18/37/1016321837.db2.gz YUBDMZPGQBCSLP-HOTGVXAUSA-N 2 0 307.438 0.607 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001507503449 1016429147 /nfs/dbraw/zinc/42/91/47/1016429147.db2.gz CBQNNZCPFFXBGV-CZUORRHYSA-N 2 0 313.417 0.241 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001420152605 1001948659 /nfs/dbraw/zinc/94/86/59/1001948659.db2.gz IGACUKIQSJPOBQ-GFCCVEGCSA-N 2 0 301.818 0.434 20 30 DCEDRP C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001508178223 1016686582 /nfs/dbraw/zinc/68/65/82/1016686582.db2.gz KMYWTJFWXPGSDD-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001438987830 1006322920 /nfs/dbraw/zinc/32/29/20/1006322920.db2.gz ARPIMSSUHHNECW-OLZOCXBDSA-N 2 0 301.818 0.147 20 30 DCEDRP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001479607373 1017600662 /nfs/dbraw/zinc/60/06/62/1017600662.db2.gz QQKVYWFYAWUVPM-GFCCVEGCSA-N 2 0 305.382 0.168 20 30 DCEDRP C#CCC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001479653010 1017630927 /nfs/dbraw/zinc/63/09/27/1017630927.db2.gz ZLMVFGKBQQWFFG-HZPDHXFCSA-N 2 0 307.438 0.389 20 30 DCEDRP CC#CC[N@H+](C)CCOCCNC(=O)C12CCC[NH+]1CCC2 ZINC001506975290 1017726143 /nfs/dbraw/zinc/72/61/43/1017726143.db2.gz KGBREPYWASIYEJ-UHFFFAOYSA-N 2 0 307.438 0.703 20 30 DCEDRP CC[N@@H+](CC#CCOC)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001479844257 1017867392 /nfs/dbraw/zinc/86/73/92/1017867392.db2.gz AHTUOFOEAHXODO-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480152732 1018259776 /nfs/dbraw/zinc/25/97/76/1018259776.db2.gz DFAZWNDURIICHE-HDJSIYSDSA-N 2 0 322.453 0.400 20 30 DCEDRP COCC#CC[NH2+]C[C@@](C)(NC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001495260504 1018427636 /nfs/dbraw/zinc/42/76/36/1018427636.db2.gz WLFXSKPATDFTAG-GOSISDBHSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCOCC1 ZINC001500589969 1018502896 /nfs/dbraw/zinc/50/28/96/1018502896.db2.gz WMEAHGIOKQQNIU-JKSUJKDBSA-N 2 0 319.449 0.892 20 30 DCEDRP C#CCNC(=O)C[NH2+]C1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001480407447 1018503792 /nfs/dbraw/zinc/50/37/92/1018503792.db2.gz WAXNEDIFFGQRRR-UHFFFAOYSA-N 2 0 322.453 0.095 20 30 DCEDRP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001501331559 1019063112 /nfs/dbraw/zinc/06/31/12/1019063112.db2.gz KSUGJRBYXIXISM-SJLPKXTDSA-N 2 0 321.465 0.827 20 30 DCEDRP COCC#CC[NH2+]CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001498659187 1019308627 /nfs/dbraw/zinc/30/86/27/1019308627.db2.gz WALKHMIQUNJWCJ-UHFFFAOYSA-N 2 0 309.454 0.950 20 30 DCEDRP COCC#CC[N@H+](CCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001493402495 1019398536 /nfs/dbraw/zinc/39/85/36/1019398536.db2.gz IQUUOBGUTOAGIG-UHFFFAOYSA-N 2 0 307.438 0.559 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC001502060060 1019670561 /nfs/dbraw/zinc/67/05/61/1019670561.db2.gz GZVPFZDNBBVYFX-INIZCTEOSA-N 2 0 319.449 0.703 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(CCC)[C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001493977511 1019872599 /nfs/dbraw/zinc/87/25/99/1019872599.db2.gz NGWJOWDUELZGIQ-QGZVFWFLSA-N 2 0 321.465 0.637 20 30 DCEDRP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001494178906 1020050498 /nfs/dbraw/zinc/05/04/98/1020050498.db2.gz AQLZDFSHTDHBKE-JKSUJKDBSA-N 2 0 309.454 0.921 20 30 DCEDRP C[NH+](C)C1(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CCC1 ZINC000262747696 238179219 /nfs/dbraw/zinc/17/92/19/238179219.db2.gz AWFBFIFBKAOZSY-UHFFFAOYSA-N 2 0 317.441 0.398 20 30 DCEDRP COCCNC(=[NH2+])NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000264092733 238189698 /nfs/dbraw/zinc/18/96/98/238189698.db2.gz LIZCJJNEXHQMPG-UHFFFAOYSA-N 2 0 321.425 0.029 20 30 DCEDRP [NH2+]=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)N1CCOCC1 ZINC000264111732 238190421 /nfs/dbraw/zinc/19/04/21/238190421.db2.gz RAAHEBLDNLXBKB-MRXNPFEDSA-N 2 0 318.421 0.053 20 30 DCEDRP N#Cc1ccc(CC[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000595893685 396677642 /nfs/dbraw/zinc/67/76/42/396677642.db2.gz RTLIMJPVNWNBJP-MRXNPFEDSA-N 2 0 300.406 0.888 20 30 DCEDRP CN(CCC#N)C(=O)CC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000611302774 396853006 /nfs/dbraw/zinc/85/30/06/396853006.db2.gz ZWUMPOVQVNEQJT-MRXNPFEDSA-N 2 0 321.469 0.460 20 30 DCEDRP CO/N=C/C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000289824724 415722408 /nfs/dbraw/zinc/72/24/08/415722408.db2.gz UELMDQAYKRJWLB-QGOAFFKASA-N 2 0 305.382 0.342 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000178123841 416157160 /nfs/dbraw/zinc/15/71/60/416157160.db2.gz RJRROYWCGYMTND-INIZCTEOSA-N 2 0 319.449 0.512 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261632254 416335634 /nfs/dbraw/zinc/33/56/34/416335634.db2.gz DFDNTPCDSOQREW-ZNMIVQPWSA-N 2 0 322.453 0.257 20 30 DCEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N(C)Cc1cccc(F)c1 ZINC000262757794 416337210 /nfs/dbraw/zinc/33/72/10/416337210.db2.gz CAEUGFNMMAYFSR-MRXNPFEDSA-N 2 0 319.428 0.833 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000419736921 416407928 /nfs/dbraw/zinc/40/79/28/416407928.db2.gz XQEYCQCTYRKVLW-ZFWWWQNUSA-N 2 0 322.453 0.481 20 30 DCEDRP Cc1cc(C#N)ccc1S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000420458375 416419027 /nfs/dbraw/zinc/41/90/27/416419027.db2.gz PLJGMJIXUVGCGB-UHFFFAOYSA-N 2 0 310.423 0.555 20 30 DCEDRP C=CCCn1cc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)nn1 ZINC000657438860 417858616 /nfs/dbraw/zinc/85/86/16/417858616.db2.gz PWEAIRUMHJUYQA-HNNXBMFYSA-N 2 0 306.458 0.970 20 30 DCEDRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264084033 276115491 /nfs/dbraw/zinc/11/54/91/276115491.db2.gz IKFLTKRAIOIMIV-CQSZACIVSA-N 2 0 319.457 0.644 20 30 DCEDRP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N1CC[C@]2(CCOC2)C1 ZINC000261962321 277749626 /nfs/dbraw/zinc/74/96/26/277749626.db2.gz KOGLXHTVUNCNHX-INIZCTEOSA-N 2 0 324.469 0.785 20 30 DCEDRP CN(C)C(=O)CNC(=[NH+]C1CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262354882 281921558 /nfs/dbraw/zinc/92/15/58/281921558.db2.gz ZMXRHOLBZXMEDS-OAHLLOKOSA-N 2 0 321.469 0.743 20 30 DCEDRP C[NH+](C)CCN1C(=O)C[C@H]([NH+]2CCC(CCC#N)CC2)C1=O ZINC000570632442 332786524 /nfs/dbraw/zinc/78/65/24/332786524.db2.gz OQZILSUIYHDRKV-AWEZNQCLSA-N 2 0 306.410 0.691 20 30 DCEDRP CCOC(=O)N1CCC(NC(=[NH2+])NCC[N@H+](C)C(C)C)CC1 ZINC000104191696 336246566 /nfs/dbraw/zinc/24/65/66/336246566.db2.gz MFYVLNAWYVJMKC-UHFFFAOYSA-N 2 0 313.446 0.852 20 30 DCEDRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2CC[N@H+](C)C2)CC1 ZINC000303906755 340353131 /nfs/dbraw/zinc/35/31/31/340353131.db2.gz WHHKVXYJGNAYAY-GFCCVEGCSA-N 2 0 311.430 0.463 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000131569559 341097410 /nfs/dbraw/zinc/09/74/10/341097410.db2.gz OCDFRESNFMECMD-QGZVFWFLSA-N 2 0 321.465 0.685 20 30 DCEDRP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001568566925 1160687170 /nfs/dbraw/zinc/68/71/70/1160687170.db2.gz HCIIQXVHZXSOII-OAHLLOKOSA-N 2 0 309.454 0.895 20 30 DCEDRP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001569765822 1161235257 /nfs/dbraw/zinc/23/52/57/1161235257.db2.gz RSUAAGNAWLADRD-NVXWUHKLSA-N 2 0 307.438 0.293 20 30 DCEDRP C[NH+]=C(NCC(=O)NC1CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262478556 526346961 /nfs/dbraw/zinc/34/69/61/526346961.db2.gz QTSJRRWGEGXTMW-CQSZACIVSA-N 2 0 307.442 0.401 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000362080179 526597516 /nfs/dbraw/zinc/59/75/16/526597516.db2.gz RDAGRVYUHGXGRW-INIZCTEOSA-N 2 0 306.454 0.533 20 30 DCEDRP C[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)C[NH+]1CCCC1 ZINC000104174470 660459570 /nfs/dbraw/zinc/45/95/70/660459570.db2.gz UIPGPHDQNMERCI-HNNXBMFYSA-N 2 0 311.474 0.345 20 30 DCEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001027686839 660620350 /nfs/dbraw/zinc/62/03/50/660620350.db2.gz XWBFFYDNAWGFNB-JKSUJKDBSA-N 2 0 307.438 0.511 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CCS(=O)(=O)CC1 ZINC000158343376 657890534 /nfs/dbraw/zinc/89/05/34/657890534.db2.gz PEMQKKVWOUNIAF-CYBMUJFWSA-N 2 0 316.471 0.200 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891921314 657917483 /nfs/dbraw/zinc/91/74/83/657917483.db2.gz MTSBYEVVUIAOMP-LBPRGKRZSA-N 2 0 302.369 0.486 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](C[C@@H](C)OC)C2)CC1 ZINC000970922660 658084308 /nfs/dbraw/zinc/08/43/08/658084308.db2.gz AFGZERWDPXGHCE-CABCVRRESA-N 2 0 321.465 0.803 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC#CCO ZINC000923779168 658750679 /nfs/dbraw/zinc/75/06/79/658750679.db2.gz MPPCKDYCZDRWDV-OAHLLOKOSA-N 2 0 310.442 0.040 20 30 DCEDRP C=CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[N@H+]3C)nn2)C1 ZINC000999960077 665718960 /nfs/dbraw/zinc/71/89/60/665718960.db2.gz BJKWKKYEKOUBLK-LSDHHAIUSA-N 2 0 318.425 0.421 20 30 DCEDRP N#Cc1ccc(NCC[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)nc1 ZINC000925892869 661393954 /nfs/dbraw/zinc/39/39/54/661393954.db2.gz GUXSXAOMCLRUOS-ZBFHGGJFSA-N 2 0 301.394 0.722 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001028643736 661716115 /nfs/dbraw/zinc/71/61/15/661716115.db2.gz RJTNCAZZLPSKNE-LSDHHAIUSA-N 2 0 300.406 0.907 20 30 DCEDRP C[NH+]=C(NC[C@H](C)N1CC[NH+](C)CC1)N1CC[C@]2(CCOC2)C1 ZINC000261971638 661937532 /nfs/dbraw/zinc/93/75/32/661937532.db2.gz MWKDVWMXBZHHPG-RDJZCZTQSA-N 2 0 323.485 0.310 20 30 DCEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000990572189 663067733 /nfs/dbraw/zinc/06/77/33/663067733.db2.gz ZGBJEBDRWRXXOI-ZDUSSCGKSA-N 2 0 301.818 0.650 20 30 DCEDRP C=CCCS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903562633 663464206 /nfs/dbraw/zinc/46/42/06/663464206.db2.gz RGIAVLTTZITNSW-GASCZTMLSA-N 2 0 313.467 0.793 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]C[C@@H](C)O)C2)CC1 ZINC001000993030 665976819 /nfs/dbraw/zinc/97/68/19/665976819.db2.gz PNEJQEZKPQNONY-GDBMZVCRSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000992855103 664780292 /nfs/dbraw/zinc/78/02/92/664780292.db2.gz HXSBGLWRJQXYIM-BZUAXINKSA-N 2 0 301.434 0.932 20 30 DCEDRP C#CCN1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033085569 666496669 /nfs/dbraw/zinc/49/66/69/666496669.db2.gz USOASXFIFSVCTN-AWEZNQCLSA-N 2 0 303.410 0.224 20 30 DCEDRP CC[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1CCN(C2CC2)C1 ZINC000083096865 666610977 /nfs/dbraw/zinc/61/09/77/666610977.db2.gz RDDICWNJJKFZPK-GFCCVEGCSA-N 2 0 317.441 0.516 20 30 DCEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033279731 666659406 /nfs/dbraw/zinc/65/94/06/666659406.db2.gz WQXFGNRXODWLTP-KRIMKBQASA-N 2 0 305.422 0.568 20 30 DCEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1(C)C ZINC000996068450 666736550 /nfs/dbraw/zinc/73/65/50/666736550.db2.gz GVVGVDIKHSXJCE-DIODGJHASA-N 2 0 319.449 0.862 20 30 DCEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1(C)C ZINC000996069666 666737148 /nfs/dbraw/zinc/73/71/48/666737148.db2.gz KLHMMWUNYRVABR-DIODGJHASA-N 2 0 317.433 0.309 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C[C@@H](C)O)C2)CC1 ZINC001033687497 666795913 /nfs/dbraw/zinc/79/59/13/666795913.db2.gz HTEWAYAKQOOAHN-GDBMZVCRSA-N 2 0 307.438 0.245 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CN(C(C)C)CCO2)CC1 ZINC001035613161 667392598 /nfs/dbraw/zinc/39/25/98/667392598.db2.gz DZJUKBLKGNMQAW-INIZCTEOSA-N 2 0 307.438 0.557 20 30 DCEDRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884192992 667494646 /nfs/dbraw/zinc/49/46/46/667494646.db2.gz SQXNFMRFZWUOOP-UJEKJILKSA-N 2 0 304.438 0.926 20 30 DCEDRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884313867 667521971 /nfs/dbraw/zinc/52/19/71/667521971.db2.gz RICYMBXZRCZUNI-DGNOSDGRSA-N 2 0 304.438 0.924 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000884642228 667581110 /nfs/dbraw/zinc/58/11/10/667581110.db2.gz DMCQUVZLHOZHAC-CHWSQXEVSA-N 2 0 308.426 0.091 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NCC(C)(C)CNC(=O)C(=C)C[NH+](C)C ZINC000764506032 668451315 /nfs/dbraw/zinc/45/13/15/668451315.db2.gz JPUZHRAISZEIOH-UHFFFAOYSA-N 2 0 324.469 0.481 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000876866502 668523680 /nfs/dbraw/zinc/52/36/80/668523680.db2.gz HCXPFIOZJMQNJT-AGIUHOORSA-N 2 0 301.818 0.811 20 30 DCEDRP C[C@@H]1C[NH+](CCCNC(=O)C#CC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000852857321 671175563 /nfs/dbraw/zinc/17/55/63/671175563.db2.gz PFVBEIHBABOUQG-HUUCEWRRSA-N 2 0 307.438 0.605 20 30 DCEDRP C[NH+](C)CCC[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CCO1 ZINC000852924651 671196060 /nfs/dbraw/zinc/19/60/60/671196060.db2.gz SERIVRPVXYQNLL-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP Cc1cc([C@H]([NH3+])CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc(Cl)n1 ZINC000834484258 671763453 /nfs/dbraw/zinc/76/34/53/671763453.db2.gz GKBOBSUKXSPMQE-QJPTWQEYSA-N 2 0 307.785 0.661 20 30 DCEDRP C#CC[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000843269473 672077878 /nfs/dbraw/zinc/07/78/78/672077878.db2.gz NOHZTBBTHHCEAK-LSDHHAIUSA-N 2 0 305.422 0.801 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(CC#CCOC)[C@H]1C ZINC001755721004 1158244475 /nfs/dbraw/zinc/24/44/75/1158244475.db2.gz LKVJCRSGUGDCAA-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000303876870 685207300 /nfs/dbraw/zinc/20/73/00/685207300.db2.gz FBWSKWUXIIBXBE-HOTGVXAUSA-N 3 0 324.517 0.401 20 30 DCEDRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=[NH2+])N1CCCCC1 ZINC000303985770 685209880 /nfs/dbraw/zinc/20/98/80/685209880.db2.gz TZDXIHVPLIWMDM-AWEZNQCLSA-N 2 0 309.458 0.730 20 30 DCEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000304824672 685212050 /nfs/dbraw/zinc/21/20/50/685212050.db2.gz FWSRGSPZAVMTTA-LSDHHAIUSA-N 3 0 313.490 0.732 20 30 DCEDRP C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000958118003 687359096 /nfs/dbraw/zinc/35/90/96/687359096.db2.gz YAFJZWYHZMURFE-KGLIPLIRSA-N 2 0 321.446 0.465 20 30 DCEDRP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038534481 694108377 /nfs/dbraw/zinc/10/83/77/694108377.db2.gz HREHUNFFIBRRNA-GWUWNPHMSA-N 2 0 303.406 0.063 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958224182 687456103 /nfs/dbraw/zinc/45/61/03/687456103.db2.gz TXKKTMNSIHXAKJ-ZBFHGGJFSA-N 2 0 314.389 0.933 20 30 DCEDRP C=CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958555763 687742703 /nfs/dbraw/zinc/74/27/03/687742703.db2.gz NNXJHPIRKKJJGG-JKSUJKDBSA-N 2 0 309.454 0.702 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H](C)OC)C[C@H]32)CC1 ZINC000962780416 688978693 /nfs/dbraw/zinc/97/86/93/688978693.db2.gz SKFRAJPLAMXCLJ-QMCVQRASSA-N 2 0 319.449 0.413 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOC)C[C@H]32)CC1 ZINC000962783300 688979019 /nfs/dbraw/zinc/97/90/19/688979019.db2.gz VZBNVIDCBYUNSV-ZSHCYNCHSA-N 2 0 305.422 0.024 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](C[C@@H](C)OC)C2)CC1 ZINC001009631459 691078161 /nfs/dbraw/zinc/07/81/61/691078161.db2.gz YRIWZFDOEYUMNE-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015826646 692457821 /nfs/dbraw/zinc/45/78/21/692457821.db2.gz HDNUHKSHOKKECK-HNNXBMFYSA-N 2 0 303.410 0.272 20 30 DCEDRP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001073610834 694751744 /nfs/dbraw/zinc/75/17/44/694751744.db2.gz FTKOOTMLXPFCJC-BZUAXINKSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001076345229 695015807 /nfs/dbraw/zinc/01/58/07/695015807.db2.gz VGLIXXVMQXFQAF-GOEBONIOSA-N 2 0 317.437 0.777 20 30 DCEDRP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1CC[NH+](CC#C)CC1 ZINC001571608462 1162858832 /nfs/dbraw/zinc/85/88/32/1162858832.db2.gz HUCZDDXUNWIJFB-QGZVFWFLSA-N 2 0 319.449 0.106 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001691123524 1157588284 /nfs/dbraw/zinc/58/82/84/1157588284.db2.gz JYVXNSDYJJCBQX-HRCADAONSA-N 2 0 307.438 0.462 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001691230146 1157617151 /nfs/dbraw/zinc/61/71/51/1157617151.db2.gz SSDMCBSJWBRPJQ-JKSUJKDBSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCCO)C2)CC1 ZINC001691481716 1157799484 /nfs/dbraw/zinc/79/94/84/1157799484.db2.gz RSVHHRVBTRLJRS-FZNQNYSPSA-N 2 0 307.438 0.198 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001755018627 1157907367 /nfs/dbraw/zinc/90/73/67/1157907367.db2.gz VXLLFMGBWOXGJW-MRXNPFEDSA-N 2 0 307.438 0.703 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001691533911 1158290538 /nfs/dbraw/zinc/29/05/38/1158290538.db2.gz LDSDEKDLYPNFAA-SHTZXODSSA-N 2 0 305.422 0.216 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001566860392 1160170792 /nfs/dbraw/zinc/17/07/92/1160170792.db2.gz YADJUPOYTRPPDA-ZQDZILKHSA-N 2 0 322.453 0.256 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CCOC)CC1 ZINC001566953823 1160192898 /nfs/dbraw/zinc/19/28/98/1160192898.db2.gz KNTGOSXJIHFKOI-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001567148106 1160256251 /nfs/dbraw/zinc/25/62/51/1160256251.db2.gz OBCJKSTVDXYGFT-UONOGXRCSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001567202753 1160273019 /nfs/dbraw/zinc/27/30/19/1160273019.db2.gz KCCIGUJFBLKQTJ-DLBZAZTESA-N 2 0 321.465 0.901 20 30 DCEDRP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001567738613 1160469347 /nfs/dbraw/zinc/46/93/47/1160469347.db2.gz HBBRGWMHPXFBSP-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCCOC)C2)CC1 ZINC001567884565 1160515388 /nfs/dbraw/zinc/51/53/88/1160515388.db2.gz SVNLJGCPCWLVDL-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]CC[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001568066113 1160571254 /nfs/dbraw/zinc/57/12/54/1160571254.db2.gz IXCIZZHLSNSPSZ-MRXNPFEDSA-N 2 0 309.454 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001568453906 1160648946 /nfs/dbraw/zinc/64/89/46/1160648946.db2.gz BAZTZZWZQQGXBD-HUUCEWRRSA-N 2 0 324.469 0.503 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001568766629 1160765722 /nfs/dbraw/zinc/76/57/22/1160765722.db2.gz DPWONVOYVACYCA-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001570285176 1161542384 /nfs/dbraw/zinc/54/23/84/1161542384.db2.gz AKJQFEQLOZZDGX-FUHWJXTLSA-N 2 0 321.465 0.827 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001570357343 1161577970 /nfs/dbraw/zinc/57/79/70/1161577970.db2.gz WHVNEOHRHLEVJC-DOTOQJQBSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[C@]1(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)CCC[NH2+]1 ZINC001574517141 1163730085 /nfs/dbraw/zinc/73/00/85/1163730085.db2.gz LEJBJGQXUOTJIZ-GOSISDBHSA-N 2 0 318.465 0.372 20 30 DCEDRP C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCN1CCC([NH3+])CC1 ZINC001646789594 1172533806 /nfs/dbraw/zinc/53/38/06/1172533806.db2.gz NMJHVUODLKKJBH-CYBMUJFWSA-N 2 0 316.405 0.865 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1OCC ZINC001656491142 1173866050 /nfs/dbraw/zinc/86/60/50/1173866050.db2.gz AOIGQRGLDFVLCA-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001656784856 1173886127 /nfs/dbraw/zinc/88/61/27/1173886127.db2.gz ZYQJDXJDCOUSDK-HZPDHXFCSA-N 2 0 309.454 0.800 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001660925499 1174069880 /nfs/dbraw/zinc/06/98/80/1174069880.db2.gz NBMNWEZPAWSSLY-KRWDZBQOSA-N 2 0 318.465 0.085 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001663498430 1174310705 /nfs/dbraw/zinc/31/07/05/1174310705.db2.gz SFZYNQSFAUHZMY-IRXDYDNUSA-N 2 0 319.449 0.559 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001666482595 1174604680 /nfs/dbraw/zinc/60/46/80/1174604680.db2.gz ZISDKRYSTNPLMP-HUUCEWRRSA-N 2 0 322.453 0.354 20 30 DCEDRP COCC#CC[NH2+]C/C=C/CNC(=O)CC1CC[NH+](C)CC1 ZINC001669075316 1174886645 /nfs/dbraw/zinc/88/66/45/1174886645.db2.gz OMWNKAHDGAPBFH-ONEGZZNKSA-N 2 0 307.438 0.630 20 30 DCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001673672469 1175222310 /nfs/dbraw/zinc/22/23/10/1175222310.db2.gz UOGFRHNUOKBHKS-DOTOQJQBSA-N 2 0 307.438 0.457 20 30 DCEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001675354425 1175349621 /nfs/dbraw/zinc/34/96/21/1175349621.db2.gz QHVPAJZOEYEPNA-AWEZNQCLSA-N 2 0 307.438 0.557 20 30 DCEDRP CC#CC[NH+](C)CCOCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001676140804 1175425510 /nfs/dbraw/zinc/42/55/10/1175425510.db2.gz XGMDEPFCVLDEQP-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCOCC)CC1 ZINC001688896650 1176649568 /nfs/dbraw/zinc/64/95/68/1176649568.db2.gz HUIJWVGDRWCCEI-KRWDZBQOSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001689034109 1176679106 /nfs/dbraw/zinc/67/91/06/1176679106.db2.gz LCSGOEWUVSPPLQ-JKSUJKDBSA-N 2 0 319.453 0.832 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001689267565 1176779775 /nfs/dbraw/zinc/77/97/75/1176779775.db2.gz MVQIPTNAHDDFCR-HNNXBMFYSA-N 2 0 324.469 0.601 20 30 DCEDRP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[N@H+]2CC[C@@H](C)C2)n1 ZINC001691910598 1177380769 /nfs/dbraw/zinc/38/07/69/1177380769.db2.gz KCHXRNFDAIBELQ-GFCCVEGCSA-N 2 0 319.409 0.416 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001698730743 1177621403 /nfs/dbraw/zinc/62/14/03/1177621403.db2.gz UTQIQYJMYVQTPP-CQSZACIVSA-N 2 0 322.453 0.354 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001698732334 1177622319 /nfs/dbraw/zinc/62/23/19/1177622319.db2.gz FASRTRCRPVYNAH-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCOCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699442010 1178140040 /nfs/dbraw/zinc/14/00/40/1178140040.db2.gz NQWJMEDWCMNBLD-GDBMZVCRSA-N 2 0 309.454 0.967 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001699654662 1178240484 /nfs/dbraw/zinc/24/04/84/1178240484.db2.gz CCBNDESYYIROAB-CVEARBPZSA-N 2 0 319.449 0.892 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001700336436 1178587019 /nfs/dbraw/zinc/58/70/19/1178587019.db2.gz GWASZPIOAPZQMP-OAHLLOKOSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001700336341 1178587331 /nfs/dbraw/zinc/58/73/31/1178587331.db2.gz SDJFJQRVMRYCHK-HNNXBMFYSA-N 2 0 307.438 0.436 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001700427045 1178614207 /nfs/dbraw/zinc/61/42/07/1178614207.db2.gz XMRBHKOJBSDWJL-CABCVRRESA-N 2 0 324.469 0.503 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001700626032 1178683928 /nfs/dbraw/zinc/68/39/28/1178683928.db2.gz RQUMORUELKJRPY-HOTGVXAUSA-N 2 0 319.449 0.701 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[NH2+]CCCF)CC1 ZINC001700976902 1178855437 /nfs/dbraw/zinc/85/54/37/1178855437.db2.gz GXUHVUYLCRHYBG-HNNXBMFYSA-N 2 0 313.417 0.100 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001707084134 1180413759 /nfs/dbraw/zinc/41/37/59/1180413759.db2.gz GPCPLDPYBYJLMX-WKILWMFISA-N 2 0 321.465 0.853 20 30 DCEDRP COCC#CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001713037896 1180642197 /nfs/dbraw/zinc/64/21/97/1180642197.db2.gz PAYICHIJGCTUKA-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001713379260 1180790878 /nfs/dbraw/zinc/79/08/78/1180790878.db2.gz PNMPYXUCLGCUGA-HOTGVXAUSA-N 2 0 309.454 0.995 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001714476218 1181383363 /nfs/dbraw/zinc/38/33/63/1181383363.db2.gz AFFMAPXYWOJWCO-OAHLLOKOSA-N 2 0 307.438 0.749 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CCCOC)C2)CC1 ZINC001714647063 1181459517 /nfs/dbraw/zinc/45/95/17/1181459517.db2.gz CHUSGUUYWWUAOM-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001715611436 1181897068 /nfs/dbraw/zinc/89/70/68/1181897068.db2.gz AOROFLVPBGKTFZ-MRXNPFEDSA-N 2 0 303.406 0.452 20 30 DCEDRP CC#CC[N@H+](C)CCN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001715970239 1182124763 /nfs/dbraw/zinc/12/47/63/1182124763.db2.gz OSDNVAVWYFLDII-UHFFFAOYSA-N 2 0 305.426 0.472 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001716924721 1182579899 /nfs/dbraw/zinc/57/98/99/1182579899.db2.gz HDZSNSFJSMHNKP-YQQAZPJKSA-N 2 0 307.438 0.293 20 30 DCEDRP C=CC[N@H+]1CC[C@](O)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001716928503 1182583000 /nfs/dbraw/zinc/58/30/00/1182583000.db2.gz CREUDUFUOMLGQL-KRWDZBQOSA-N 2 0 309.454 0.992 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(CO)CCC[N@@H+](CCC)C2)CC1 ZINC001717028642 1182634861 /nfs/dbraw/zinc/63/48/61/1182634861.db2.gz XMWNCGBYIHAWMV-SFHVURJKSA-N 2 0 321.465 0.685 20 30 DCEDRP C=CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001717062295 1182659209 /nfs/dbraw/zinc/65/92/09/1182659209.db2.gz OQDZADQOEAATJC-HZPDHXFCSA-N 2 0 309.454 0.990 20 30 DCEDRP CC#CC[NH2+]CC1(NC(=O)[C@H](C)Cc2c[nH]cn2)CCOCC1 ZINC001717267711 1182758504 /nfs/dbraw/zinc/75/85/04/1182758504.db2.gz XZRTZZXDBXDWJG-CQSZACIVSA-N 2 0 318.421 0.867 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001717478789 1182852500 /nfs/dbraw/zinc/85/25/00/1182852500.db2.gz ABCZJRJHWBCWCA-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[NH2+]CCC(=C)C)CC1 ZINC001717933795 1183071980 /nfs/dbraw/zinc/07/19/80/1183071980.db2.gz XIRNACVNSNCJJX-KRWDZBQOSA-N 2 0 321.465 0.707 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001723878305 1184357262 /nfs/dbraw/zinc/35/72/62/1184357262.db2.gz ZJCSUBMSVCHJBT-HUUCEWRRSA-N 2 0 324.469 0.598 20 30 DCEDRP COCC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001723996935 1184366886 /nfs/dbraw/zinc/36/68/86/1184366886.db2.gz CEYGRAIDJIVFDR-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCC[NH+]1CCC(N(CC#C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001724065111 1184374416 /nfs/dbraw/zinc/37/44/16/1184374416.db2.gz OHELRZFTBVTSFP-MRXNPFEDSA-N 2 0 301.434 0.888 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001724298642 1184408905 /nfs/dbraw/zinc/40/89/05/1184408905.db2.gz VIHKYDIEUHSVOC-UHFFFAOYSA-N 2 0 324.469 0.459 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)CCc2c[nH]cn2)CCOCC1 ZINC001724354033 1184413520 /nfs/dbraw/zinc/41/35/20/1184413520.db2.gz WAKXLBKKWMGQDZ-UHFFFAOYSA-N 2 0 304.394 0.621 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001724962366 1184636033 /nfs/dbraw/zinc/63/60/33/1184636033.db2.gz RCLIIRQUHSQSKQ-UHFFFAOYSA-N 2 0 324.469 0.601 20 30 DCEDRP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001725102364 1184683879 /nfs/dbraw/zinc/68/38/79/1184683879.db2.gz XJXWLGHJGHCABO-GJZGRUSLSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001725498873 1184847806 /nfs/dbraw/zinc/84/78/06/1184847806.db2.gz VSNAEMASDWYMDR-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(CC[N@@H+](C)C[C@H](C)O)C(C)C)CC1 ZINC001725731272 1184977281 /nfs/dbraw/zinc/97/72/81/1184977281.db2.gz BWZPQVXTAVJRDD-INIZCTEOSA-N 2 0 323.481 0.881 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CC#CCOC)CC1 ZINC001731640394 1185423027 /nfs/dbraw/zinc/42/30/27/1185423027.db2.gz MZMRHZPMMNOVBT-HNNXBMFYSA-N 2 0 305.422 0.076 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001731736911 1185464194 /nfs/dbraw/zinc/46/41/94/1185464194.db2.gz QDZZQSXUJDUMQT-MRXNPFEDSA-N 2 0 309.454 0.853 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH+](C)CC#CCOC)C1 ZINC001731782207 1185483391 /nfs/dbraw/zinc/48/33/91/1185483391.db2.gz GRNWTYPQGLGRNC-MRXNPFEDSA-N 2 0 309.454 0.806 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001731984264 1185624699 /nfs/dbraw/zinc/62/46/99/1185624699.db2.gz RWDCRAVWEZHJFA-HNNXBMFYSA-N 2 0 324.469 0.411 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001732398884 1185799317 /nfs/dbraw/zinc/79/93/17/1185799317.db2.gz LPHHTMIZVFNTGO-AWEZNQCLSA-N 2 0 322.453 0.259 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001732630987 1185880611 /nfs/dbraw/zinc/88/06/11/1185880611.db2.gz RTTNLLYIGXAZBQ-GJZGRUSLSA-N 2 0 322.453 0.259 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001732983109 1186091254 /nfs/dbraw/zinc/09/12/54/1186091254.db2.gz FVCAAMXBQOWPQU-KGLIPLIRSA-N 2 0 310.442 0.257 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N(C)CCC[NH2+]CCn1cccn1 ZINC001733106680 1186141793 /nfs/dbraw/zinc/14/17/93/1186141793.db2.gz PNUMNUOQBMEZFV-INIZCTEOSA-N 2 0 317.437 0.419 20 30 DCEDRP C#CCN(C(=O)CC[N@@H+](C)CC)C1CC[NH+](C[C@H](C)O)CC1 ZINC001733373792 1186244742 /nfs/dbraw/zinc/24/47/42/1186244742.db2.gz JUQVUZDMPQSLDE-HNNXBMFYSA-N 2 0 309.454 0.635 20 30 DCEDRP C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CC#C)CC1 ZINC001733374012 1186245701 /nfs/dbraw/zinc/24/57/01/1186245701.db2.gz QJBVAHKWITYBPC-MRXNPFEDSA-N 2 0 301.434 0.888 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001733860416 1186478580 /nfs/dbraw/zinc/47/85/80/1186478580.db2.gz WDIHTNONYREOAV-CABCVRRESA-N 2 0 305.422 0.169 20 30 DCEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001734184156 1186573017 /nfs/dbraw/zinc/57/30/17/1186573017.db2.gz RCLXXMVCASQYPO-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001734523885 1186676634 /nfs/dbraw/zinc/67/66/34/1186676634.db2.gz ZOSNVMSECMSXPP-HOTGVXAUSA-N 2 0 309.454 0.539 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[NH2+]CCC(C)C)CC1 ZINC001734539132 1186683298 /nfs/dbraw/zinc/68/32/98/1186683298.db2.gz ZAKUJRKQUDFEMB-KRWDZBQOSA-N 2 0 323.481 0.787 20 30 DCEDRP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001734547449 1186687809 /nfs/dbraw/zinc/68/78/09/1186687809.db2.gz UASWPZSFCKVMTO-JKSUJKDBSA-N 2 0 309.454 0.635 20 30 DCEDRP COCC#CC[NH2+]C1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001734600919 1186699825 /nfs/dbraw/zinc/69/98/25/1186699825.db2.gz RFFDUZRREXDDIB-UHFFFAOYSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH+]1CCN(CCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001753342878 1188568916 /nfs/dbraw/zinc/56/89/16/1188568916.db2.gz BGGRWNIODYTPFD-QGZVFWFLSA-N 2 0 320.481 0.428 20 30 DCEDRP C=CCOCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001753692152 1188641862 /nfs/dbraw/zinc/64/18/62/1188641862.db2.gz KLGUQGUDZUZAJD-GDBMZVCRSA-N 2 0 309.454 0.967 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC#CCOC ZINC001753729231 1188648476 /nfs/dbraw/zinc/64/84/76/1188648476.db2.gz IVFYFRFXNUJCMR-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001753828901 1188659807 /nfs/dbraw/zinc/65/98/07/1188659807.db2.gz GZSZFNZOPSSXLB-IRXDYDNUSA-N 2 0 321.465 0.708 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001753922695 1188683372 /nfs/dbraw/zinc/68/33/72/1188683372.db2.gz UKCNSWBEYXCAQI-INIZCTEOSA-N 2 0 309.454 0.731 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+][C@@H](C)COC)CC1 ZINC001754025081 1188714522 /nfs/dbraw/zinc/71/45/22/1188714522.db2.gz DMPLTKUDMSJZKY-CABCVRRESA-N 2 0 309.454 0.851 20 30 DCEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH+]1CCC(NCC#N)CC1 ZINC001754851336 1188949508 /nfs/dbraw/zinc/94/95/08/1188949508.db2.gz KYXNOVGKBTUCEB-HUUCEWRRSA-N 2 0 321.469 0.553 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CCO1 ZINC001755014680 1188996826 /nfs/dbraw/zinc/99/68/26/1188996826.db2.gz PWLLXIQXHQLVSP-RDJZCZTQSA-N 2 0 305.422 0.313 20 30 DCEDRP C=CCOCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001755422834 1189108600 /nfs/dbraw/zinc/10/86/00/1189108600.db2.gz KPKWYUFLRHETJF-HHARLNAUSA-N 2 0 321.465 0.823 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001755638583 1189169664 /nfs/dbraw/zinc/16/96/64/1189169664.db2.gz XZCNCBZZLLTWNU-INIZCTEOSA-N 2 0 303.406 0.057 20 30 DCEDRP CC[N@@H+]1CCC[C@@H](CNC(NCCN2CCOCC2)=[NH+]C)C1 ZINC000303864514 1190296970 /nfs/dbraw/zinc/29/69/70/1190296970.db2.gz AZOPSORUCFKAGR-HNNXBMFYSA-N 2 0 311.474 0.216 20 30 DCEDRP C=CCCC[NH+]1CC(n2cc(CNC(=O)CC[NH+](C)C)nn2)C1 ZINC001107202582 751946828 /nfs/dbraw/zinc/94/68/28/751946828.db2.gz MFAFXIXFVHPGRK-UHFFFAOYSA-N 2 0 320.441 0.669 20 30 DCEDRP C=CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@H]2C1 ZINC001083192531 746970013 /nfs/dbraw/zinc/97/00/13/746970013.db2.gz FKJDLXWSGNOCEB-OWCLPIDISA-N 2 0 307.438 0.958 20 30 DCEDRP N#Cc1c2c(cnc1N1C[C@H]3COC[C@@H](C1)C3[NH3+])C[NH2+]CCC2 ZINC001167184550 747013161 /nfs/dbraw/zinc/01/31/61/747013161.db2.gz RRRDTEDHQDCPGK-OCZCAGDBSA-N 2 0 313.405 0.399 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CC)C[C@@H]32)CC1 ZINC001083283779 747857300 /nfs/dbraw/zinc/85/73/00/747857300.db2.gz SJGWAWJXDNHSAU-JKSUJKDBSA-N 2 0 305.422 0.263 20 30 DCEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CN(CC)CCO2)C[C@H]1C ZINC001105040081 748012894 /nfs/dbraw/zinc/01/28/94/748012894.db2.gz DNXFPGQDIBQKKI-BZUAXINKSA-N 2 0 307.438 0.415 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001100872573 748323396 /nfs/dbraw/zinc/32/33/96/748323396.db2.gz AGHCWNKTDIMYOX-WLYUNCDWSA-N 2 0 322.453 0.115 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCO)[C@@H]2CC)CC1 ZINC001087839207 749078285 /nfs/dbraw/zinc/07/82/85/749078285.db2.gz POWKDZWYPYOPPJ-DLBZAZTESA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCCCC[C@@H]([NH2+]CCO)C2)CC1 ZINC001088430274 749438229 /nfs/dbraw/zinc/43/82/29/749438229.db2.gz LBUKIYYFNHXRHR-QGZVFWFLSA-N 2 0 321.465 0.685 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001168146681 749499519 /nfs/dbraw/zinc/49/95/19/749499519.db2.gz IPJMWFOQZGWCJG-UHFFFAOYSA-N 2 0 322.453 0.261 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106323217 751108982 /nfs/dbraw/zinc/10/89/82/751108982.db2.gz YUPQMTTWXGAUQR-ZACQAIPSSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CCN2CCOCC2)C12CCC2 ZINC001203507783 751182727 /nfs/dbraw/zinc/18/27/27/751182727.db2.gz VGODNWDJLVJHRA-JKSUJKDBSA-N 2 0 319.449 0.749 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+](C)CCCCCC ZINC001168595305 752670130 /nfs/dbraw/zinc/67/01/30/752670130.db2.gz IPDWYXGBLMDHHK-UHFFFAOYSA-N 2 0 324.469 0.344 20 30 DCEDRP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046501171 753752866 /nfs/dbraw/zinc/75/28/66/753752866.db2.gz LHOUKPOLQYOYEM-AUCMRZJMSA-N 2 0 317.433 0.454 20 30 DCEDRP C#CCC[N@H+]1CC[C@@](C)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001046697031 753881668 /nfs/dbraw/zinc/88/16/68/753881668.db2.gz ZQHUUELSBMZCGO-QGZVFWFLSA-N 2 0 317.437 0.662 20 30 DCEDRP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001047469905 754309131 /nfs/dbraw/zinc/30/91/31/754309131.db2.gz BZYZZFOZHAZGBM-ULQDDVLXSA-N 2 0 321.465 0.940 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CN(C)CCO1 ZINC001049391025 755247723 /nfs/dbraw/zinc/24/77/23/755247723.db2.gz FYTAXRHRAZNFDJ-BZUAXINKSA-N 2 0 305.422 0.406 20 30 DCEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941404 758131545 /nfs/dbraw/zinc/13/15/45/758131545.db2.gz HEWXAXRMLXTKAM-ZACQAIPSSA-N 2 0 301.434 0.884 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H](C[NH2+]CC3CC3)C2)CC1 ZINC001051944392 759052456 /nfs/dbraw/zinc/05/24/56/759052456.db2.gz XAXHKIYAOVRQCK-KRWDZBQOSA-N 2 0 319.449 0.559 20 30 DCEDRP C=C(C)C[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001051996477 759099235 /nfs/dbraw/zinc/09/92/35/759099235.db2.gz NGRLGBXNBYEISN-DLBZAZTESA-N 2 0 320.481 0.875 20 30 DCEDRP C#CCCN1CCO[C@](C)(CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001108215596 759399264 /nfs/dbraw/zinc/39/92/64/759399264.db2.gz GMYABDYZQJSNOB-GOSISDBHSA-N 2 0 321.465 0.949 20 30 DCEDRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001147842377 767858759 /nfs/dbraw/zinc/85/87/59/767858759.db2.gz VKJVEQXNOZMGNZ-UHFFFAOYSA-N 2 0 303.406 0.322 20 30 DCEDRP C#CCC[NH+](CCO)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001098406681 759707492 /nfs/dbraw/zinc/70/74/92/759707492.db2.gz UBSVBTWLIOJZGR-KRWDZBQOSA-N 2 0 321.465 0.779 20 30 DCEDRP C=CCC[N@H+]1CC[C@H](NC(=O)CCc2cncn2C)[C@@H](O)C1 ZINC001100094630 760246191 /nfs/dbraw/zinc/24/61/91/760246191.db2.gz PVPYJGDFLHOBQE-GJZGRUSLSA-N 2 0 306.410 0.480 20 30 DCEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097244 761081088 /nfs/dbraw/zinc/08/10/88/761081088.db2.gz IQTTUNIFHJWXJF-KFWWJZLASA-N 2 0 318.425 0.147 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001123656353 768014866 /nfs/dbraw/zinc/01/48/66/768014866.db2.gz ROUNUGJPKKHCPY-GDBMZVCRSA-N 2 0 323.485 0.570 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001070565124 761319320 /nfs/dbraw/zinc/31/93/20/761319320.db2.gz FNIPIKBVILYAFF-GOEBONIOSA-N 2 0 317.437 0.586 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001148838607 768040565 /nfs/dbraw/zinc/04/05/65/768040565.db2.gz BRVCBCNEZAUBMQ-UHFFFAOYSA-N 2 0 307.438 0.511 20 30 DCEDRP C=CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001071020733 761588860 /nfs/dbraw/zinc/58/88/60/761588860.db2.gz RSLNTJFCLFLNMR-OAHLLOKOSA-N 2 0 322.453 0.165 20 30 DCEDRP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001071042697 761597920 /nfs/dbraw/zinc/59/79/20/761597920.db2.gz FQWFBPIMOVLYFI-IKGGRYGDSA-N 2 0 319.449 0.700 20 30 DCEDRP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001071104339 761621390 /nfs/dbraw/zinc/62/13/90/761621390.db2.gz SLHGRVUBNRKSCL-BBWFWOEESA-N 2 0 319.449 0.557 20 30 DCEDRP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2 ZINC001112563955 761694915 /nfs/dbraw/zinc/69/49/15/761694915.db2.gz WNBFFUASYDOVTQ-WMZOPIPTSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)C[C@@H](C)O2 ZINC001098662959 762706344 /nfs/dbraw/zinc/70/63/44/762706344.db2.gz RETOSUDHKGICQY-HZPDHXFCSA-N 2 0 319.449 0.653 20 30 DCEDRP C#CCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC2(CCOCC2)C1 ZINC001099589372 762907548 /nfs/dbraw/zinc/90/75/48/762907548.db2.gz XHTCYODGHZFUGQ-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001114291072 762923651 /nfs/dbraw/zinc/92/36/51/762923651.db2.gz RTRWHKHVBFQROB-MWDXBVQZSA-N 2 0 317.433 0.024 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129422842 762935840 /nfs/dbraw/zinc/93/58/40/762935840.db2.gz MHWGCEQYCYLMSH-HUUCEWRRSA-N 2 0 322.453 0.093 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCCN[C@@H](C)c1nnc(CC)[nH]1 ZINC001129770461 763007283 /nfs/dbraw/zinc/00/72/83/763007283.db2.gz GKZMBTHGXSADHP-STQMWFEESA-N 2 0 318.425 0.232 20 30 DCEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879088 763095981 /nfs/dbraw/zinc/09/59/81/763095981.db2.gz FGVCYCWINSDLIP-CVEARBPZSA-N 2 0 309.454 0.988 20 30 DCEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100013310 763217223 /nfs/dbraw/zinc/21/72/23/763217223.db2.gz LGDDIQPATHVBCW-GJZGRUSLSA-N 2 0 309.454 0.539 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001100407586 763557484 /nfs/dbraw/zinc/55/74/84/763557484.db2.gz BODCOHBGGSGDQJ-LDZOIKDWSA-N 2 0 322.453 0.113 20 30 DCEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001100522901 763632313 /nfs/dbraw/zinc/63/23/13/763632313.db2.gz MJLBBBIGQSOWOG-QFQXCOSMSA-N 2 0 319.449 0.910 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CCOCC)C2)CC1 ZINC001101025006 763925340 /nfs/dbraw/zinc/92/53/40/763925340.db2.gz QLQANLBOWDTYGF-UHFFFAOYSA-N 2 0 321.465 0.853 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@H](C)O2 ZINC001131681693 763935323 /nfs/dbraw/zinc/93/53/23/763935323.db2.gz GPDHZGYXMHQPEO-DOTOQJQBSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CCOCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101352188 764067146 /nfs/dbraw/zinc/06/71/46/764067146.db2.gz WDKGGVLLGXNVNB-WBVHZDCISA-N 2 0 309.454 0.921 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369987 764618827 /nfs/dbraw/zinc/61/88/27/764618827.db2.gz MXZDHIYXSWYYAC-BRWVUGGUSA-N 2 0 321.465 0.662 20 30 DCEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102488732 764664176 /nfs/dbraw/zinc/66/41/76/764664176.db2.gz GTGCWPHRIXYSRU-HUUCEWRRSA-N 2 0 309.454 0.967 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514287 764676069 /nfs/dbraw/zinc/67/60/69/764676069.db2.gz SPIOHHIAOXAVIY-IXDOHACOSA-N 2 0 321.465 0.662 20 30 DCEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203179 768241347 /nfs/dbraw/zinc/24/13/47/768241347.db2.gz HEGGQKLNNFFWLA-WBVHZDCISA-N 2 0 301.434 0.886 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001133091290 764821532 /nfs/dbraw/zinc/82/15/32/764821532.db2.gz QBTJPMNXSFGPQI-JKSUJKDBSA-N 2 0 309.454 0.662 20 30 DCEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092276644 768255224 /nfs/dbraw/zinc/25/52/24/768255224.db2.gz XWBMOPRDEBIDAK-JZXOWHBKSA-N 2 0 321.465 0.921 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133870595 765185214 /nfs/dbraw/zinc/18/52/14/765185214.db2.gz UUDVVBDASLFBNI-CABCVRRESA-N 2 0 324.469 0.315 20 30 DCEDRP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939913 765432904 /nfs/dbraw/zinc/43/29/04/765432904.db2.gz ZVCMIAWRNYLLSV-RDJZCZTQSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112193132 765471837 /nfs/dbraw/zinc/47/18/37/765471837.db2.gz MASKVWIUFXGTEW-VXGBXAGGSA-N 2 0 321.343 0.177 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001115299653 765680553 /nfs/dbraw/zinc/68/05/53/765680553.db2.gz CSALKWRNSJUZCR-NYTXWWLZSA-N 2 0 322.453 0.064 20 30 DCEDRP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)cc1C#N ZINC001124837232 768312349 /nfs/dbraw/zinc/31/23/49/768312349.db2.gz KUEXGTPXOGJYOD-OAHLLOKOSA-N 2 0 316.405 0.867 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](O)C1 ZINC001090671034 766452395 /nfs/dbraw/zinc/45/23/95/766452395.db2.gz FUXXYSYGUFDVMM-HZPDHXFCSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C(C)C)C[C@H]2O)CC1 ZINC001090830803 766649705 /nfs/dbraw/zinc/64/97/05/766649705.db2.gz OWHQSIZRQLAZSQ-JKSUJKDBSA-N 2 0 307.438 0.291 20 30 DCEDRP C[NH+](C)CCOCC(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001171204844 767001921 /nfs/dbraw/zinc/00/19/21/767001921.db2.gz GUAWAXGZBYCGHC-UHFFFAOYSA-N 2 0 318.421 0.732 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146340107 767437593 /nfs/dbraw/zinc/43/75/93/767437593.db2.gz OHBAMEZCRFDQKS-KBPBESRZSA-N 2 0 310.442 0.257 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCNC(=O)CCC[NH+](CCC)CCC ZINC001147449054 767755888 /nfs/dbraw/zinc/75/58/88/767755888.db2.gz GSSKEDIAHZDFEY-UHFFFAOYSA-N 2 0 324.469 0.344 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)CCCC[NH+](C)C)C1=O ZINC001171579583 769322632 /nfs/dbraw/zinc/32/26/32/769322632.db2.gz XOGBERGGYAHWSG-HNNXBMFYSA-N 2 0 324.469 0.601 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2CC)C1=O ZINC001152457407 769563943 /nfs/dbraw/zinc/56/39/43/769563943.db2.gz DEYGLUAZOXOZSA-HUUCEWRRSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCc1cccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1O ZINC001235871004 769954934 /nfs/dbraw/zinc/95/49/34/769954934.db2.gz NJQLZNZMXPSGCI-UHFFFAOYSA-N 2 0 318.465 0.705 20 30 DCEDRP N#Cc1cc(S(=O)(=O)NCCC[NH2+]CCC[NH3+])ccc1F ZINC001238879930 770141312 /nfs/dbraw/zinc/14/13/12/770141312.db2.gz YUQOQPCYRKVEIM-UHFFFAOYSA-N 2 0 314.386 0.304 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC[C@H]2CCCO2)CC1 ZINC001176926431 770225898 /nfs/dbraw/zinc/22/58/98/770225898.db2.gz MDNIMWURTLFITF-QGZVFWFLSA-N 2 0 321.465 0.997 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001178045243 770599662 /nfs/dbraw/zinc/59/96/62/770599662.db2.gz HDNLNWJLQVCNRV-HNNXBMFYSA-N 2 0 324.469 0.649 20 30 DCEDRP CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C(=O)NO ZINC001157304262 771583590 /nfs/dbraw/zinc/58/35/90/771583590.db2.gz XJHJWZOYWAINHA-RYUDHWBXSA-N 2 0 302.419 0.082 20 30 DCEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001183418982 771648286 /nfs/dbraw/zinc/64/82/86/771648286.db2.gz ZMDGCTVJHWFSDQ-JFIYKMOQSA-N 2 0 321.465 0.662 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001184433427 771786922 /nfs/dbraw/zinc/78/69/22/771786922.db2.gz IFLLJLSBANHPEA-GYMHETDLSA-N 2 0 303.406 0.063 20 30 DCEDRP C[C@@H](Nc1ncc2c(c1C#N)CCC[NH2+]C2)[C@H]1C[NH2+]CCO1 ZINC001159488473 771917977 /nfs/dbraw/zinc/91/79/77/771917977.db2.gz DKCGAVXGCLFJMA-IAQYHMDHSA-N 2 0 301.394 0.778 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC12CCOCC2 ZINC001186553479 772053838 /nfs/dbraw/zinc/05/38/38/772053838.db2.gz SLFZQMSAIDUNAF-INIZCTEOSA-N 2 0 319.449 0.560 20 30 DCEDRP C=CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161537432 772241162 /nfs/dbraw/zinc/24/11/62/772241162.db2.gz YDXSYULBYZMSBT-OLZOCXBDSA-N 2 0 312.414 0.346 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)C2([NH+](C)C)CCC2)(COC)CC1 ZINC001162300632 772355350 /nfs/dbraw/zinc/35/53/50/772355350.db2.gz NFEWRZUUULBBHU-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164577071 772683117 /nfs/dbraw/zinc/68/31/17/772683117.db2.gz IVOIPMIQCRIQFP-ZNMIVQPWSA-N 2 0 324.469 0.503 20 30 DCEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001166249499 772796009 /nfs/dbraw/zinc/79/60/09/772796009.db2.gz JROFDZRWQRSQHW-CSLYMUCUSA-N 2 0 319.449 0.912 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152489 772875707 /nfs/dbraw/zinc/87/57/07/772875707.db2.gz HWLQXNVWHMKPCO-KGLIPLIRSA-N 2 0 310.442 0.162 20 30 DCEDRP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001194982231 773299639 /nfs/dbraw/zinc/29/96/39/773299639.db2.gz DQBXIXHUFHETCQ-BRWVUGGUSA-N 2 0 321.465 0.988 20 30 DCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001209716023 773638735 /nfs/dbraw/zinc/63/87/35/773638735.db2.gz OOLYUFAXMMQYLR-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCc2ccnn2C)CC1 ZINC001152324277 773722126 /nfs/dbraw/zinc/72/21/26/773722126.db2.gz ODTFEUWVZAWRGM-UHFFFAOYSA-N 2 0 317.437 0.014 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210673957 773728319 /nfs/dbraw/zinc/72/83/19/773728319.db2.gz KOVLBPCKAJGCMG-HUUCEWRRSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210743627 773734580 /nfs/dbraw/zinc/73/45/80/773734580.db2.gz KAMASJXLPVZTBN-OAHLLOKOSA-N 2 0 322.453 0.048 20 30 DCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184380 774047055 /nfs/dbraw/zinc/04/70/55/774047055.db2.gz AYZGLDZWEPVBQC-HCBPCCMXSA-N 2 0 317.433 0.309 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001215571275 774083579 /nfs/dbraw/zinc/08/35/79/774083579.db2.gz IFHMNBJSDAABTP-MCIONIFRSA-N 2 0 310.442 0.065 20 30 DCEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cnc(C#N)cn1 ZINC001199665505 774169782 /nfs/dbraw/zinc/16/97/82/774169782.db2.gz RFCMLCJCILFFAT-UHFFFAOYSA-N 2 0 318.425 0.694 20 30 DCEDRP CC(=O)Nc1ccc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)cc1C#N ZINC001218915235 774325977 /nfs/dbraw/zinc/32/59/77/774325977.db2.gz LIEPHBNAWPSCLS-OAHLLOKOSA-N 2 0 315.377 0.782 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CCCO1 ZINC001200687958 774390058 /nfs/dbraw/zinc/39/00/58/774390058.db2.gz IMWSCDUSYZJRNC-IAGOWNOFSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCCO1 ZINC001200704209 774395094 /nfs/dbraw/zinc/39/50/94/774395094.db2.gz JGQNXULFWLUSFH-MRXNPFEDSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCCO1 ZINC001201129683 774459625 /nfs/dbraw/zinc/45/96/25/774459625.db2.gz QNWLVXPBDDLWGQ-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CCCO1 ZINC001201403376 774501748 /nfs/dbraw/zinc/50/17/48/774501748.db2.gz KFKMQNQEVFCNMQ-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)CCCO1 ZINC001202163273 774609786 /nfs/dbraw/zinc/60/97/86/774609786.db2.gz FUDLJMAEAODVPK-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219830217 774623485 /nfs/dbraw/zinc/62/34/85/774623485.db2.gz RPKKJIIVYMUBGM-XHSDSOJGSA-N 2 0 309.454 0.988 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219920053 774645903 /nfs/dbraw/zinc/64/59/03/774645903.db2.gz YZUKXTSCUDVNTM-CVEARBPZSA-N 2 0 316.405 0.093 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001202496008 774724782 /nfs/dbraw/zinc/72/47/82/774724782.db2.gz MJSCQTDRCXHKCB-AWEZNQCLSA-N 2 0 322.453 0.354 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001114408935 774844927 /nfs/dbraw/zinc/84/49/27/774844927.db2.gz CZSZSDKRNFBSMU-FXUDXRNXSA-N 2 0 305.422 0.023 20 30 DCEDRP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768459 774911558 /nfs/dbraw/zinc/91/15/58/774911558.db2.gz MZRSEIIVUDDRPK-KFWWJZLASA-N 2 0 313.442 0.081 20 30 DCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221158857 775011925 /nfs/dbraw/zinc/01/19/25/775011925.db2.gz ZYTRFNBSDDMDLY-CVEARBPZSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[NH+]1CCC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001225168320 775651330 /nfs/dbraw/zinc/65/13/30/775651330.db2.gz UAWBHRNKVHESAP-KRWDZBQOSA-N 2 0 321.465 0.806 20 30 DCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001114496437 775871291 /nfs/dbraw/zinc/87/12/91/775871291.db2.gz MLWCFSXKUBQOAY-VQFNDLOPSA-N 2 0 312.417 0.978 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228262112 776060553 /nfs/dbraw/zinc/06/05/53/776060553.db2.gz PEHPPRHRJNEPCW-HZPDHXFCSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230279693 776276340 /nfs/dbraw/zinc/27/63/40/776276340.db2.gz FNHXQKUDZKHPPW-HUUCEWRRSA-N 2 0 324.469 0.646 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001317668503 945156818 /nfs/dbraw/zinc/15/68/18/945156818.db2.gz CWZYQMGVTZMGEO-OKILXGFUSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+]([C@@H](CC)C(N)=O)CC1 ZINC001278177743 945167667 /nfs/dbraw/zinc/16/76/67/945167667.db2.gz ZLWDFFGQLARSJD-HNNXBMFYSA-N 2 0 322.453 0.128 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001317810984 945192799 /nfs/dbraw/zinc/19/27/99/945192799.db2.gz HPDOXRODSBYTQZ-IRXDYDNUSA-N 2 0 321.465 0.806 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001266285613 939048143 /nfs/dbraw/zinc/04/81/43/939048143.db2.gz GFQMXZYDECNFNO-INIZCTEOSA-N 2 0 310.486 0.883 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CC2CCOCC2)CC1 ZINC001266362739 939095950 /nfs/dbraw/zinc/09/59/50/939095950.db2.gz SHIMOBRYBAPOMV-UHFFFAOYSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001266415385 939111064 /nfs/dbraw/zinc/11/10/64/939111064.db2.gz UPOUPHBBYWJIDR-GJZGRUSLSA-N 2 0 322.453 0.257 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266533614 939155014 /nfs/dbraw/zinc/15/50/14/939155014.db2.gz MYEFDNMKOZHVKU-ZIAGYGMSSA-N 2 0 310.442 0.067 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001266537150 939156238 /nfs/dbraw/zinc/15/62/38/939156238.db2.gz FYKCWVQOXBFJHY-QGZVFWFLSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001266601590 939176173 /nfs/dbraw/zinc/17/61/73/939176173.db2.gz HFWBCCNXPNQAPU-QBPKDAKJSA-N 2 0 319.449 0.890 20 30 DCEDRP C=CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001267001218 939303578 /nfs/dbraw/zinc/30/35/78/939303578.db2.gz LLGMBCNRHUXXDZ-CABCVRRESA-N 2 0 322.453 0.211 20 30 DCEDRP CC[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CC#CCOC ZINC001267824857 939690366 /nfs/dbraw/zinc/69/03/66/939690366.db2.gz ISFIJHPHUZYPJL-RDJZCZTQSA-N 2 0 307.438 0.607 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001268073337 939923857 /nfs/dbraw/zinc/92/38/57/939923857.db2.gz ZNJUIUOXXVGRDM-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CN[C@@H](C)c1ncccn1 ZINC001268690924 940331854 /nfs/dbraw/zinc/33/18/54/940331854.db2.gz VMULNFFWHBZCIQ-KKUMJFAQSA-N 2 0 315.421 0.730 20 30 DCEDRP C#CCN1C[C@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001273145356 945327570 /nfs/dbraw/zinc/32/75/70/945327570.db2.gz WJWKWVUXBDMNGC-NVXWUHKLSA-N 2 0 305.422 0.265 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001482237265 940755548 /nfs/dbraw/zinc/75/55/48/940755548.db2.gz VXOPYJCRAJCRRH-UHFFFAOYSA-N 2 0 322.453 0.403 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+][C@@H](C)COC)CC1 ZINC001270193969 940852810 /nfs/dbraw/zinc/85/28/10/940852810.db2.gz NVZCBMITKIUQRX-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]C[C@@H](C)OC)CC1 ZINC001270194886 940853501 /nfs/dbraw/zinc/85/35/01/940853501.db2.gz WUHXCRJWJRMECN-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001271428451 941373363 /nfs/dbraw/zinc/37/33/63/941373363.db2.gz WDFIUDWEFGCPJQ-KGLIPLIRSA-N 2 0 310.442 0.067 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001271518433 941394324 /nfs/dbraw/zinc/39/43/24/941394324.db2.gz HQNFKONLPIZULI-NVXWUHKLSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC001482567078 941508108 /nfs/dbraw/zinc/50/81/08/941508108.db2.gz ZEVFQEMBTIWZFJ-HOTGVXAUSA-N 2 0 311.470 0.953 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCOCC1 ZINC001484190199 943184936 /nfs/dbraw/zinc/18/49/36/943184936.db2.gz GXFPXXGPSGKENN-CVEARBPZSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CC[NH+]1CCC[C@](CO)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001484437243 943383899 /nfs/dbraw/zinc/38/38/99/943383899.db2.gz DWYFKNSUWAVOPW-WBVHZDCISA-N 2 0 309.454 0.990 20 30 DCEDRP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC#CCOC)CC1)[NH+](C)C ZINC001484719344 943533993 /nfs/dbraw/zinc/53/39/93/943533993.db2.gz ZLFJSBSYIGLJJP-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[N@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001484765769 943571336 /nfs/dbraw/zinc/57/13/36/943571336.db2.gz RFFOQZNWDFXJTR-INIZCTEOSA-N 2 0 309.454 0.758 20 30 DCEDRP C=CC[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001485018371 943656971 /nfs/dbraw/zinc/65/69/71/943656971.db2.gz FORNOYHOUATXBD-OAHLLOKOSA-N 2 0 309.454 0.988 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001485039328 943666741 /nfs/dbraw/zinc/66/67/41/943666741.db2.gz TXUCGRUCHNRWKI-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001491364208 943938184 /nfs/dbraw/zinc/93/81/84/943938184.db2.gz USTJUQCSNKFYSD-NRXISQOPSA-N 2 0 324.469 0.646 20 30 DCEDRP C#CCN1C(=O)C[C@]2(CCC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001272888107 944300793 /nfs/dbraw/zinc/30/07/93/944300793.db2.gz OKJSCLXWHCWLOZ-SFHVURJKSA-N 2 0 317.433 0.803 20 30 DCEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001485933908 944417554 /nfs/dbraw/zinc/41/75/54/944417554.db2.gz ZBVJACSFVKQWNB-CQSZACIVSA-N 2 0 305.426 0.518 20 30 DCEDRP COCC#CC[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001316840310 944591344 /nfs/dbraw/zinc/59/13/44/944591344.db2.gz NICVYOVYZUVELC-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001276983013 944616020 /nfs/dbraw/zinc/61/60/20/944616020.db2.gz BJARCFADJBPZFV-HDJSIYSDSA-N 2 0 303.410 0.176 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001277060252 944645703 /nfs/dbraw/zinc/64/57/03/944645703.db2.gz LOFKQNJWFZOHQG-OAHLLOKOSA-N 2 0 307.438 0.747 20 30 DCEDRP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001277272014 944736083 /nfs/dbraw/zinc/73/60/83/944736083.db2.gz MDNIQILUXFZMAM-CVEARBPZSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317060952 944766529 /nfs/dbraw/zinc/76/65/29/944766529.db2.gz QMESBCRXMJOZLJ-ZFWWWQNUSA-N 2 0 310.442 0.065 20 30 DCEDRP COCC#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001277397280 944807753 /nfs/dbraw/zinc/80/77/53/944807753.db2.gz FWWBDHIJKBPUKF-NVXWUHKLSA-N 2 0 321.465 0.899 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001317322929 944922679 /nfs/dbraw/zinc/92/26/79/944922679.db2.gz RQFKKYJRNYIEMQ-SJORKVTESA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001317321172 944923274 /nfs/dbraw/zinc/92/32/74/944923274.db2.gz FMVLXIFNMPXZNY-HNNXBMFYSA-N 2 0 317.437 0.520 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+][C@H](CC)C(N)=O)CC1 ZINC001317415312 944960554 /nfs/dbraw/zinc/96/05/54/944960554.db2.gz JNSISJACTFNAHX-UKRRQHHQSA-N 2 0 322.453 0.080 20 30 DCEDRP C=CCN1CC[C@H](N(C)CCNC(=O)C[N@@H+](C)C(C)C)C1=O ZINC001317471188 944990263 /nfs/dbraw/zinc/99/02/63/944990263.db2.gz DQZYJNGYDCOTTN-AWEZNQCLSA-N 2 0 310.442 0.162 20 30 DCEDRP C#CCOC[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001251885249 945808320 /nfs/dbraw/zinc/80/83/20/945808320.db2.gz QSHINYAWXATION-SFHVURJKSA-N 2 0 317.433 0.539 20 30 DCEDRP C=CCOC[C@@H](O)CN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001252473420 945945878 /nfs/dbraw/zinc/94/58/78/945945878.db2.gz KUGXKFPWYRAPCM-KRWDZBQOSA-N 2 0 311.470 0.509 20 30 DCEDRP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001278859566 946490920 /nfs/dbraw/zinc/49/09/20/946490920.db2.gz DKZZJFYRRYVWMT-JKSUJKDBSA-N 2 0 309.454 0.635 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)CCO1 ZINC001273365697 946866170 /nfs/dbraw/zinc/86/61/70/946866170.db2.gz MDANXHHBZNEGTE-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CC#CCOC)C2)C1)[NH+](C)C ZINC001323860393 947232940 /nfs/dbraw/zinc/23/29/40/947232940.db2.gz QQMXINVJGPWPMN-FUHWJXTLSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCCC[N@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]cn2)C1 ZINC001325102979 947654977 /nfs/dbraw/zinc/65/49/77/947654977.db2.gz WLWNEILOQKJECD-MRXNPFEDSA-N 2 0 306.410 0.862 20 30 DCEDRP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001325138650 947675831 /nfs/dbraw/zinc/67/58/31/947675831.db2.gz VBQDXWYWWQWWJY-RDJZCZTQSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001179538689 947866458 /nfs/dbraw/zinc/86/64/58/947866458.db2.gz GVXGVOQLXHFCPX-ILXRZTDVSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CCO1 ZINC001327048674 948380389 /nfs/dbraw/zinc/38/03/89/948380389.db2.gz MRPLUCJEFFEFSC-MRXNPFEDSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1OCC ZINC001264529948 948998626 /nfs/dbraw/zinc/99/86/26/948998626.db2.gz RJJFXOFKCRSHHH-HZPDHXFCSA-N 2 0 319.449 0.701 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001265493910 949729436 /nfs/dbraw/zinc/72/94/36/949729436.db2.gz GQQJKMFCFOOPRP-ZQDZILKHSA-N 2 0 324.469 0.500 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001265543221 949755970 /nfs/dbraw/zinc/75/59/70/949755970.db2.gz HDCTUXHDPKSNGJ-WCVJEAGWSA-N 2 0 307.438 0.482 20 30 DCEDRP C=CCOCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001265596770 949805567 /nfs/dbraw/zinc/80/55/67/949805567.db2.gz KAAAIFRUMMPIIB-CVEARBPZSA-N 2 0 309.454 0.969 20 30 DCEDRP COCC#CCN1CC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001330072230 950103481 /nfs/dbraw/zinc/10/34/81/950103481.db2.gz RZWRNBMHUQUUPF-GJZGRUSLSA-N 2 0 307.438 0.415 20 30 DCEDRP COCC#CC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001490242127 950450321 /nfs/dbraw/zinc/45/03/21/950450321.db2.gz LIXCHXYRIKEJTR-HOTGVXAUSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC(=C)C)C1 ZINC001280595363 950973113 /nfs/dbraw/zinc/97/31/13/950973113.db2.gz JUQHJTMTZJQETR-CVEARBPZSA-N 2 0 305.422 0.477 20 30 DCEDRP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001280691016 951037921 /nfs/dbraw/zinc/03/79/21/951037921.db2.gz HSNIDGZCOFXPEI-INIZCTEOSA-N 2 0 306.454 0.180 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001332413241 951636066 /nfs/dbraw/zinc/63/60/66/951636066.db2.gz MJCYDSPQCDUZHB-HNNXBMFYSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001274571560 951704533 /nfs/dbraw/zinc/70/45/33/951704533.db2.gz DHTCXTVJVAXDEA-UHFFFAOYSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001274588290 951717258 /nfs/dbraw/zinc/71/72/58/951717258.db2.gz IJTNKRNFGAHZAX-UHFFFAOYSA-N 2 0 321.465 0.829 20 30 DCEDRP C#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001332665468 951755144 /nfs/dbraw/zinc/75/51/44/951755144.db2.gz SPSVTHSDDOLMOV-JKSUJKDBSA-N 2 0 309.454 0.634 20 30 DCEDRP C#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001333267350 951979700 /nfs/dbraw/zinc/97/97/00/951979700.db2.gz LTYUPERSJIZYMO-JKSUJKDBSA-N 2 0 309.454 0.805 20 30 DCEDRP C[NH+]1CCN(CCC[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC001335880503 952614399 /nfs/dbraw/zinc/61/43/99/952614399.db2.gz CWBPBFJJNVJVSK-KRWDZBQOSA-N 2 0 302.422 0.819 20 30 DCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001341541944 953237451 /nfs/dbraw/zinc/23/74/51/953237451.db2.gz ZYINODXZIUFWNY-RQJABVFESA-N 2 0 322.409 0.064 20 30 DCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001343474303 953348715 /nfs/dbraw/zinc/34/87/15/953348715.db2.gz UVAFAOIYIMDVIV-ZNMIVQPWSA-N 2 0 308.426 0.455 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001281820549 953375802 /nfs/dbraw/zinc/37/58/02/953375802.db2.gz IQEUKDQZRJNVPJ-HUUCEWRRSA-N 2 0 307.438 0.436 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CC#CCOC)CC1 ZINC001282243540 953530865 /nfs/dbraw/zinc/53/08/65/953530865.db2.gz XHMBVJQCWHJVAK-JKSUJKDBSA-N 2 0 319.449 0.464 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC001345631282 953694140 /nfs/dbraw/zinc/69/41/40/953694140.db2.gz BGFWLBAOSLRBRO-HNNXBMFYSA-N 2 0 323.485 0.572 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001283079414 953985454 /nfs/dbraw/zinc/98/54/54/953985454.db2.gz CDCIQADYKRCEIH-BZUAXINKSA-N 2 0 309.454 0.707 20 30 DCEDRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)C#CC3CC[NH2+]CC3)C2)C1 ZINC001347157768 954034241 /nfs/dbraw/zinc/03/42/41/954034241.db2.gz SIXHZWZBWUTGIE-BRWVUGGUSA-N 2 0 319.449 0.734 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001283693652 954539425 /nfs/dbraw/zinc/53/94/25/954539425.db2.gz ZKDPKOHFFXFNCH-HNNXBMFYSA-N 2 0 324.469 0.457 20 30 DCEDRP CC[N@H+](C)CCC(=O)NC[C@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001283818511 954632766 /nfs/dbraw/zinc/63/27/66/954632766.db2.gz QDGPIVKVJWPHIH-QGZVFWFLSA-N 2 0 317.433 0.447 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001480516735 956099120 /nfs/dbraw/zinc/09/91/20/956099120.db2.gz XIVKKZSADSRYHI-KBPBESRZSA-N 2 0 324.469 0.646 20 30 DCEDRP C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001316750221 960365703 /nfs/dbraw/zinc/36/57/03/960365703.db2.gz ZYDLJCZOEGMXEO-SJORKVTESA-N 2 0 323.481 0.881 20 30 DCEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001371380643 966948097 /nfs/dbraw/zinc/94/80/97/966948097.db2.gz SCFRQRAEDOSAKS-LBPRGKRZSA-N 2 0 313.833 0.905 20 30 DCEDRP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001502598108 1015991049 /nfs/dbraw/zinc/99/10/49/1015991049.db2.gz SNFSEJIGELIIHE-ROUUACIJSA-N 2 0 321.465 0.992 20 30 DCEDRP C#CCC[NH2+]CC1(NC(=O)CC2CC[NH+](C)CC2)CCOCC1 ZINC001502638448 1016010919 /nfs/dbraw/zinc/01/09/19/1016010919.db2.gz XGOIJQIRNZCGRB-UHFFFAOYSA-N 2 0 321.465 0.997 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001507155030 1016039332 /nfs/dbraw/zinc/03/93/32/1016039332.db2.gz PXLAEUDCDMZNCY-KBPBESRZSA-N 2 0 310.442 0.209 20 30 DCEDRP C=C(C)C[NH2+][C@H](CO)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001507211071 1016130578 /nfs/dbraw/zinc/13/05/78/1016130578.db2.gz ISDMXEMVQLCLIK-ZDUSSCGKSA-N 2 0 302.378 0.899 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CC=C(C)C)CC1 ZINC001507265761 1016198476 /nfs/dbraw/zinc/19/84/76/1016198476.db2.gz UJTUEIALNPHSTM-INIZCTEOSA-N 2 0 307.438 0.365 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001505446592 1016249105 /nfs/dbraw/zinc/24/91/05/1016249105.db2.gz OKMSDINVZQZTCP-IRXDYDNUSA-N 2 0 321.465 0.901 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CCO1 ZINC001402611943 1001439877 /nfs/dbraw/zinc/43/98/77/1001439877.db2.gz XPMAOOWRBVPKAQ-OCCSQVGLSA-N 2 0 315.845 0.898 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCOCC)CC1 ZINC001505762163 1016532343 /nfs/dbraw/zinc/53/23/43/1016532343.db2.gz YKHAIADMPAFFFR-GJZGRUSLSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC#CC)CC1 ZINC001507726064 1016550717 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307.438 0.605 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001480563253 1018660641 /nfs/dbraw/zinc/66/06/41/1018660641.db2.gz WZVBBUSWVGSCGA-CQSZACIVSA-N 2 0 324.469 0.503 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001480624493 1018718419 /nfs/dbraw/zinc/71/84/19/1018718419.db2.gz APQJQEIBUZEAQY-LSDHHAIUSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CCC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001496097624 1019066480 /nfs/dbraw/zinc/06/64/80/1019066480.db2.gz RNWCNDBQGJVHER-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001501647257 1019353340 /nfs/dbraw/zinc/35/33/40/1019353340.db2.gz FGYCYAOIQSVPOP-DLBZAZTESA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCC1 ZINC001501952956 1019582749 /nfs/dbraw/zinc/58/27/49/1019582749.db2.gz ZGCLRGGCATXDKV-INIZCTEOSA-N 2 0 319.449 0.607 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCC1 ZINC001501980002 1019607254 /nfs/dbraw/zinc/60/72/54/1019607254.db2.gz QDECFWRSQANNFF-UHFFFAOYSA-N 2 0 319.449 0.893 20 30 DCEDRP COCC#CC[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001493717494 1019657986 /nfs/dbraw/zinc/65/79/86/1019657986.db2.gz MZIZQUDYAAIXMX-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CCO1 ZINC001502072979 1019687216 /nfs/dbraw/zinc/68/72/16/1019687216.db2.gz XSTMHILHHVQFBP-HOTGVXAUSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001494179244 1020049977 /nfs/dbraw/zinc/04/99/77/1020049977.db2.gz CSDKRCUBXSBDIE-SJORKVTESA-N 2 0 321.465 0.758 20 30 DCEDRP C#CC[N@@H+](C)CC1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001494214113 1020081770 /nfs/dbraw/zinc/08/17/70/1020081770.db2.gz RTPIVUBBEXXQRX-INIZCTEOSA-N 2 0 321.465 0.758 20 30 DCEDRP CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262340111 529628573 /nfs/dbraw/zinc/62/85/73/529628573.db2.gz WVJCBVOJKZADNJ-LSDHHAIUSA-N 2 0 321.469 0.765 20 30 DCEDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccccc1C#N ZINC000157190126 291227381 /nfs/dbraw/zinc/22/73/81/291227381.db2.gz NEYSVNDAYHTTSC-UHFFFAOYSA-N 2 0 324.450 0.672 20 30 DCEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CCc2ccccc21 ZINC000088637787 395708129 /nfs/dbraw/zinc/70/81/29/395708129.db2.gz WBOAMMVRZMZIOZ-OAHLLOKOSA-N 2 0 301.438 0.870 20 30 DCEDRP C[C@@H]1CN(CCN(CCC#N)CCN2CCOCC2)C[C@@H](C)O1 ZINC000595333117 396590006 /nfs/dbraw/zinc/59/00/06/396590006.db2.gz MWMLCAUCKBKGFR-IAGOWNOFSA-N 2 0 324.469 0.643 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000343774407 415719502 /nfs/dbraw/zinc/71/95/02/415719502.db2.gz XFNHXADRSJRDIL-UKRRQHHQSA-N 2 0 322.453 0.352 20 30 DCEDRP N#Cc1ccc(C[NH2+]CCCC[NH+]2CCN(CCO)CC2)o1 ZINC000344355680 415897708 /nfs/dbraw/zinc/89/77/08/415897708.db2.gz UFFUYEMCQJPPIX-UHFFFAOYSA-N 2 0 306.410 0.631 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[NH2+]CCC)CC1 ZINC000419691783 416405347 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DCEDRP CC(C)(CNC(=O)CN[C@H]1CCC[C@H]1C#N)N1CCOCC1 ZINC000332547361 336174037 /nfs/dbraw/zinc/17/40/37/336174037.db2.gz CSACJWJQMXJSIB-KBPBESRZSA-N 2 0 308.426 0.495 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420341403 337499531 /nfs/dbraw/zinc/49/95/31/337499531.db2.gz ODIHDWVWYRSWOD-GXTWGEPZSA-N 2 0 308.426 0.851 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430563047 338108795 /nfs/dbraw/zinc/10/87/95/338108795.db2.gz UBFULLLJWWDIJI-LBPRGKRZSA-N 2 0 312.414 0.217 20 30 DCEDRP COc1ccccc1CNC(=[NH2+])NC[C@H](C)N1CC[NH+](C)CC1 ZINC000170913135 534074699 /nfs/dbraw/zinc/07/46/99/534074699.db2.gz CQYJUCFVFXNCLO-AWEZNQCLSA-N 2 0 319.453 0.735 20 30 DCEDRP C[NH+]=C(NCC1([NH+](C)C)CCCC1)N1CCO[C@@H](COC)C1 ZINC000261642235 526349586 /nfs/dbraw/zinc/34/95/86/526349586.db2.gz AHUZPQZVSRNLMG-CQSZACIVSA-N 2 0 312.458 0.783 20 30 DCEDRP C[NH+]=C(NCc1ccc(C(N)=O)o1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262339522 526382604 /nfs/dbraw/zinc/38/26/04/526382604.db2.gz CJKXKQSLQIACEE-LBPRGKRZSA-N 2 0 317.393 0.400 20 30 DCEDRP C[NH+]=C(NCc1nnc(C)n1C)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000261967005 526391578 /nfs/dbraw/zinc/39/15/78/526391578.db2.gz LRELOWXTQSNIHY-AWEZNQCLSA-N 2 0 319.457 0.617 20 30 DCEDRP C=C(C)C[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262321405 526436024 /nfs/dbraw/zinc/43/60/24/526436024.db2.gz RZCFQSFAIPTSQN-OAHLLOKOSA-N 2 0 319.453 0.542 20 30 DCEDRP C=C(C)C[NH+]=C(NCC(=O)N(C)C)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262321404 526437151 /nfs/dbraw/zinc/43/71/51/526437151.db2.gz RZCFQSFAIPTSQN-HNNXBMFYSA-N 2 0 319.453 0.542 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000175843258 526920782 /nfs/dbraw/zinc/92/07/82/526920782.db2.gz CHKQAYHTDNNOFZ-UHFFFAOYSA-N 2 0 319.449 0.655 20 30 DCEDRP CC[NH+]=C(NCc1cnn(C)c1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261968320 528818574 /nfs/dbraw/zinc/81/85/74/528818574.db2.gz MBAWRASRTTUGDQ-IUODEOHRSA-N 2 0 304.442 0.958 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cnn(CCOC)c1 ZINC000283762077 529100932 /nfs/dbraw/zinc/10/09/32/529100932.db2.gz HWIZZPPATPNQRD-AWEZNQCLSA-N 2 0 308.430 0.418 20 30 DCEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC000978646543 660580123 /nfs/dbraw/zinc/58/01/23/660580123.db2.gz YBUIZAPMIUCSFM-QKDCVEJESA-N 2 0 301.390 0.882 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)C[C@H](C)O)C2)CC1 ZINC001027693568 660626149 /nfs/dbraw/zinc/62/61/49/660626149.db2.gz GAGXEKWZSJXFSF-DOTOQJQBSA-N 2 0 321.465 0.635 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC=C)C[C@H]32)CC1 ZINC000979100151 660661916 /nfs/dbraw/zinc/66/19/16/660661916.db2.gz IIOFDQLGSWWPHS-OSYLJGHBSA-N 2 0 301.434 0.812 20 30 DCEDRP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000981540536 661169693 /nfs/dbraw/zinc/16/96/93/661169693.db2.gz DPOATFFRYSSVPZ-IRXDYDNUSA-N 2 0 301.434 0.982 20 30 DCEDRP C=CCN1CCO[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC000972552900 657762638 /nfs/dbraw/zinc/76/26/38/657762638.db2.gz VGSGDYRQNUUSLM-WBVHZDCISA-N 2 0 307.438 0.960 20 30 DCEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000969403400 657812208 /nfs/dbraw/zinc/81/22/08/657812208.db2.gz HVBHDJMEGLDLJL-GYMHETDLSA-N 2 0 305.422 0.616 20 30 DCEDRP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001023447343 657874761 /nfs/dbraw/zinc/87/47/61/657874761.db2.gz LMSLBWAANCUEGI-CABCVRRESA-N 2 0 300.406 0.907 20 30 DCEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971968818 658103745 /nfs/dbraw/zinc/10/37/45/658103745.db2.gz IEVPDLMHHJRMKX-GARNVTTQSA-N 2 0 319.449 0.958 20 30 DCEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000970168514 658683922 /nfs/dbraw/zinc/68/39/22/658683922.db2.gz BYNHUJXMJMCWLC-KDWRMLKXSA-N 2 0 319.449 0.862 20 30 DCEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000970191016 658717278 /nfs/dbraw/zinc/71/72/78/658717278.db2.gz PVLWLHKHTJQNLO-KDWRMLKXSA-N 2 0 317.433 0.309 20 30 DCEDRP C=CCN1CCO[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972411017 658735308 /nfs/dbraw/zinc/73/53/08/658735308.db2.gz VTKNHKDVPSLWBZ-NVXWUHKLSA-N 2 0 307.438 0.816 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)O)CC2(C)C)CC1 ZINC000977635288 659791778 /nfs/dbraw/zinc/79/17/78/659791778.db2.gz AJCFZGRWJNHIOM-GOEBONIOSA-N 2 0 321.465 0.539 20 30 DCEDRP C[NH+]=C(NCCN1CCC[N@H+](C)CC1)N1CC[C@@]2(CCOC2)C1 ZINC000262023250 661965071 /nfs/dbraw/zinc/96/50/71/661965071.db2.gz ZGETVGHRBQTPQD-QGZVFWFLSA-N 2 0 323.485 0.312 20 30 DCEDRP C#CC[N@H+](C)CCCNS(=O)(=O)C[C@@]12CC[NH+](C1)CCC2 ZINC000915905959 665053343 /nfs/dbraw/zinc/05/33/43/665053343.db2.gz YCGNUKKMNMHITE-HNNXBMFYSA-N 2 0 313.467 0.347 20 30 DCEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001001423521 666050598 /nfs/dbraw/zinc/05/05/98/666050598.db2.gz BRQKTKITCFBSIY-HZPDHXFCSA-N 2 0 307.438 0.864 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+](CCCO)CC2)CC1 ZINC001001471497 666056569 /nfs/dbraw/zinc/05/65/69/666056569.db2.gz JILIICNFHZFNNM-UHFFFAOYSA-N 2 0 319.449 0.462 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1(C)C ZINC000996624985 666840051 /nfs/dbraw/zinc/84/00/51/666840051.db2.gz QJTBAVUZYHRQEI-LSDHHAIUSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000996811767 666917908 /nfs/dbraw/zinc/91/79/08/666917908.db2.gz JBXURCVXUXVLHB-GNHJJJEISA-N 2 0 303.406 0.063 20 30 DCEDRP C#CC[NH2+]C1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000997082884 667113256 /nfs/dbraw/zinc/11/32/56/667113256.db2.gz JVWFPQCNHMBNNL-UHFFFAOYSA-N 2 0 303.410 0.272 20 30 DCEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001005742238 667179493 /nfs/dbraw/zinc/17/94/93/667179493.db2.gz PNQSUOSNNYRQPM-BFHRDPOASA-N 2 0 319.449 0.958 20 30 DCEDRP CC[NH+]=C(NC[C@@H](O)C(F)(F)F)NC[C@H]1CCC[N@@H+]1CC ZINC000864236616 667226018 /nfs/dbraw/zinc/22/60/18/667226018.db2.gz RDAOTYAASZVGOT-GHMZBOCLSA-N 2 0 310.364 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)CC1 ZINC000788206437 667449152 /nfs/dbraw/zinc/44/91/52/667449152.db2.gz ACOJEIVQXADMNL-QGZVFWFLSA-N 2 0 307.438 0.247 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C1)C2 ZINC000884248044 667508934 /nfs/dbraw/zinc/50/89/34/667508934.db2.gz KFQSNMXYLUBEAC-ATBHVKJBSA-N 2 0 302.422 0.712 20 30 DCEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923377845 667520556 /nfs/dbraw/zinc/52/05/56/667520556.db2.gz PZJHCGXXLGYGEW-HRCADAONSA-N 2 0 322.453 0.534 20 30 DCEDRP C[NH+]1CCC(n2cc(NC(=O)N[C@H]3C[NH2+]C[C@H]3C#N)cn2)CC1 ZINC000868189326 667541221 /nfs/dbraw/zinc/54/12/21/667541221.db2.gz AHAMICCKWCJVOX-RISCZKNCSA-N 2 0 317.397 0.383 20 30 DCEDRP CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@@H]1C[NH+]2CCC1CC2 ZINC000884453092 667547985 /nfs/dbraw/zinc/54/79/85/667547985.db2.gz GDUYMSCUGGVGBT-KRIMKBQASA-N 2 0 302.422 0.678 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)/C=C(/C)CN2CCOCC2)C1 ZINC000923557631 667563482 /nfs/dbraw/zinc/56/34/82/667563482.db2.gz MCFYUPAWYDBIJH-RTYFKUQISA-N 2 0 305.422 0.479 20 30 DCEDRP C#CCN(C(=O)C[N@@H+](C)[C@@H]1CCSC1)C1CC[NH+](C)CC1 ZINC000886580040 667778567 /nfs/dbraw/zinc/77/85/67/667778567.db2.gz SNJRLVXGHUPPEE-OAHLLOKOSA-N 2 0 309.479 0.980 20 30 DCEDRP C#CCOCCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000755832035 668067644 /nfs/dbraw/zinc/06/76/44/668067644.db2.gz KUSQRSHMTNUSCM-MRXNPFEDSA-N 2 0 309.454 0.901 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000876754108 668502653 /nfs/dbraw/zinc/50/26/53/668502653.db2.gz PBMZBEZJBUZEBB-AVGNSLFASA-N 2 0 301.818 0.514 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000876772379 668507131 /nfs/dbraw/zinc/50/71/31/668507131.db2.gz BNVQBXWBOJBYRI-STQMWFEESA-N 2 0 301.818 0.637 20 30 DCEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000876802450 668513917 /nfs/dbraw/zinc/51/39/17/668513917.db2.gz OTAZOIVIGRQMIQ-SPWCGHHHSA-N 2 0 318.808 0.871 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000876973809 668546035 /nfs/dbraw/zinc/54/60/35/668546035.db2.gz QERUKMVWHIBUHG-STQMWFEESA-N 2 0 301.818 0.826 20 30 DCEDRP CN(CCOCC[NH3+])C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877056447 668558360 /nfs/dbraw/zinc/55/83/60/668558360.db2.gz LQWMOLYEAAFILK-OAHLLOKOSA-N 2 0 302.378 0.179 20 30 DCEDRP CC[N@@H+]1CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)[C@@H](C)C1 ZINC000772985505 668790923 /nfs/dbraw/zinc/79/09/23/668790923.db2.gz SFNAWNZKCSFNJW-SAFUZZNQSA-N 2 0 306.410 0.833 20 30 DCEDRP CCC[NH+]1CCC([NH2+]CCNC(=O)C2N=CC=CC2=O)CC1 ZINC000775408280 668862154 /nfs/dbraw/zinc/86/21/54/668862154.db2.gz IXYOPXOEBHKFPA-NXVVXOECSA-N 2 0 306.410 0.977 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)C[NH+]1CCCC1)CCO2 ZINC000949244527 670295055 /nfs/dbraw/zinc/29/50/55/670295055.db2.gz MBMIWJZACWZIAS-UHFFFAOYSA-N 2 0 305.422 0.409 20 30 DCEDRP C[NH+]=C(NCCN1CCOCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000849095018 670757306 /nfs/dbraw/zinc/75/73/06/670757306.db2.gz KTGJWOARZIAGKO-UHFFFAOYSA-N 2 0 323.485 0.501 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOC[C@@H]1CCCO1 ZINC000303769875 685206025 /nfs/dbraw/zinc/20/60/25/685206025.db2.gz BHLKPNFACCEYFW-CABCVRRESA-N 2 0 312.458 0.961 20 30 DCEDRP CCN1CC[NH+](CCCCNC(=[NH2+])N2CCSCC2)CC1 ZINC000303876150 685207355 /nfs/dbraw/zinc/20/73/55/685207355.db2.gz DRRFRBJIAGPJPY-UHFFFAOYSA-N 2 0 313.515 0.768 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000303981582 685209910 /nfs/dbraw/zinc/20/99/10/685209910.db2.gz PHEXJGWILQSQKX-HUUCEWRRSA-N 3 0 310.490 0.011 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC000958345896 687566199 /nfs/dbraw/zinc/56/61/99/687566199.db2.gz UJUYPYONNVIUIA-LSDHHAIUSA-N 2 0 319.405 0.387 20 30 DCEDRP C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000958558510 687746111 /nfs/dbraw/zinc/74/61/11/687746111.db2.gz IHZXGALVKWOUFV-DOTOQJQBSA-N 2 0 324.384 0.528 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961279158 688586049 /nfs/dbraw/zinc/58/60/49/688586049.db2.gz HSRMTNQBGGJLGU-GTHOZQOVSA-N 2 0 317.433 0.472 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1=O ZINC000969077010 690465038 /nfs/dbraw/zinc/46/50/38/690465038.db2.gz IOZBJFZEAPLCOO-QLFBSQMISA-N 2 0 322.453 0.304 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001018963198 693298729 /nfs/dbraw/zinc/29/87/29/693298729.db2.gz CYUWWHOOUDGBIB-HOCLYGCPSA-N 2 0 305.422 0.454 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001073605153 694750206 /nfs/dbraw/zinc/75/02/06/694750206.db2.gz BTMHCLUEBSHHLT-IRXDYDNUSA-N 2 0 319.449 0.559 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073861308 694793603 /nfs/dbraw/zinc/79/36/03/694793603.db2.gz BKFMJILQDMORHR-HNNXBMFYSA-N 2 0 305.422 0.313 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](C(C)C)CCCO2)CC1 ZINC001073899069 694798678 /nfs/dbraw/zinc/79/86/78/694798678.db2.gz KONLYOBXERQSDL-QGZVFWFLSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001570426979 1162511829 /nfs/dbraw/zinc/51/18/29/1162511829.db2.gz FIIHESJPSGCSCR-HNNXBMFYSA-N 2 0 309.454 0.847 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001570652338 1162576388 /nfs/dbraw/zinc/57/63/88/1162576388.db2.gz CJXGLGULCLYOBN-JKSUJKDBSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N(C)CC[C@@H]([NH2+]CCO)C(C)C ZINC001570774477 1162619289 /nfs/dbraw/zinc/61/92/89/1162619289.db2.gz GIBSOAVFLLGVJS-CVEARBPZSA-N 2 0 309.454 0.539 20 30 DCEDRP COCC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001571487614 1162779732 /nfs/dbraw/zinc/77/97/32/1162779732.db2.gz UUUJYYHNAHZWEY-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001571587835 1162832693 /nfs/dbraw/zinc/83/26/93/1162832693.db2.gz QVXMGSQDXOOSOO-HOTGVXAUSA-N 2 0 309.454 0.541 20 30 DCEDRP COCC#CC[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001671437365 1157374110 /nfs/dbraw/zinc/37/41/10/1157374110.db2.gz UEUHLQNSXKXTIS-UHFFFAOYSA-N 2 0 307.438 0.703 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CC[C@@H]2CCCO2)CC1 ZINC001691000550 1157397140 /nfs/dbraw/zinc/39/71/40/1157397140.db2.gz KSYOIOCYQCOKOV-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCCC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001672503303 1157957438 /nfs/dbraw/zinc/95/74/38/1157957438.db2.gz JNAZRKFGDBPZKB-NVXWUHKLSA-N 2 0 309.454 0.847 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001248690125 1159136770 /nfs/dbraw/zinc/13/67/70/1159136770.db2.gz IJXPDVLPBJTWAI-ZIAGYGMSSA-N 2 0 310.467 0.430 20 30 DCEDRP CC#CC[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001566061407 1159957675 /nfs/dbraw/zinc/95/76/75/1159957675.db2.gz GTXWTJYQPMOSMR-INIZCTEOSA-N 2 0 309.454 0.901 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001566692250 1160130800 /nfs/dbraw/zinc/13/08/00/1160130800.db2.gz CRGARODFJPUVSU-CQSZACIVSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H](C)OC)C2)CC1 ZINC001566863173 1160170499 /nfs/dbraw/zinc/17/04/99/1160170499.db2.gz SQZSXWDJOQNAGZ-BMFZPTHFSA-N 2 0 307.438 0.603 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001567105889 1160241320 /nfs/dbraw/zinc/24/13/20/1160241320.db2.gz ABUZOPIOSIWYPH-KGLIPLIRSA-N 2 0 310.442 0.209 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001567701132 1160459773 /nfs/dbraw/zinc/45/97/73/1160459773.db2.gz CLXZZCVMDBDGPY-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001568362577 1160635599 /nfs/dbraw/zinc/63/55/99/1160635599.db2.gz IHOOGCLJSXMDOO-JKSUJKDBSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH2+]CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001569203404 1160977617 /nfs/dbraw/zinc/97/76/17/1160977617.db2.gz SPYYPNYUVJBYKU-MRXNPFEDSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001569752961 1161225397 /nfs/dbraw/zinc/22/53/97/1161225397.db2.gz RLPKUFQFJHOFPB-WBVHZDCISA-N 2 0 307.438 0.293 20 30 DCEDRP C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001574830289 1163761702 /nfs/dbraw/zinc/76/17/02/1163761702.db2.gz DVCFLRKCBSVGQR-GDBMZVCRSA-N 2 0 319.453 0.936 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC001626449425 1171481413 /nfs/dbraw/zinc/48/14/13/1171481413.db2.gz MOXVHYYZONYVNK-INIZCTEOSA-N 3 0 310.486 0.979 20 30 DCEDRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)[C@@H]2C1 ZINC001646841584 1172559903 /nfs/dbraw/zinc/55/99/03/1172559903.db2.gz QWWNNMIKYVYOSB-LUXDUYPMSA-N 2 0 302.422 0.582 20 30 DCEDRP C=CCN1CC[C@H](N2CC[C@@H]2CN(C)C(=O)CC[NH+](C)C)C1=O ZINC001656088553 1173836525 /nfs/dbraw/zinc/83/65/25/1173836525.db2.gz LQZFOAFRMBVBJQ-CABCVRRESA-N 2 0 322.453 0.258 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001661318058 1174116586 /nfs/dbraw/zinc/11/65/86/1174116586.db2.gz VNWGJDXLUPDAAE-KBPBESRZSA-N 2 0 322.453 0.352 20 30 DCEDRP C=CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001664760263 1174454957 /nfs/dbraw/zinc/45/49/57/1174454957.db2.gz OYLFULPXLPVELT-OAHLLOKOSA-N 2 0 322.453 0.213 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001666306106 1174597078 /nfs/dbraw/zinc/59/70/78/1174597078.db2.gz ABLIPYWBAILFDT-KKUMJFAQSA-N 2 0 322.453 0.093 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]2[C@H](CC[NH+]2CC#CCOC)C1 ZINC001667695535 1174703005 /nfs/dbraw/zinc/70/30/05/1174703005.db2.gz XXXRZUCSBJJEPF-SJORKVTESA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]C[C@@H](F)CC)CC1 ZINC001667939506 1174736475 /nfs/dbraw/zinc/73/64/75/1174736475.db2.gz LXWZVFQAGSXTJR-GJZGRUSLSA-N 2 0 313.417 0.146 20 30 DCEDRP C#CCN(C(=O)CC1CC[NH+](C)CC1)C1CC[NH+](CCO)CC1 ZINC001671496474 1175016029 /nfs/dbraw/zinc/01/60/29/1175016029.db2.gz AENCESKVOLSXNX-UHFFFAOYSA-N 2 0 321.465 0.637 20 30 DCEDRP C=C(C)CC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001672024137 1175065323 /nfs/dbraw/zinc/06/53/23/1175065323.db2.gz GEZHLRXHMINEPW-DOTOQJQBSA-N 2 0 309.454 0.847 20 30 DCEDRP CCCC[C@@H](C[NH2+]CC#CCOC)NC(=O)C12CC[NH+](CC1)C2 ZINC001675233592 1175336930 /nfs/dbraw/zinc/33/69/30/1175336930.db2.gz BHRHBWBNIHELBI-INIZCTEOSA-N 2 0 321.465 0.997 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001675701338 1175385652 /nfs/dbraw/zinc/38/56/52/1175385652.db2.gz DEGVRAIUFPXRSX-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001676267309 1175433656 /nfs/dbraw/zinc/43/36/56/1175433656.db2.gz BQYSMFJOHIWZSJ-NVXWUHKLSA-N 2 0 321.465 0.805 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]CC#CCOC)C1 ZINC001676966412 1175508163 /nfs/dbraw/zinc/50/81/63/1175508163.db2.gz XVSKYZSUMGPNCS-CVEARBPZSA-N 2 0 309.454 0.853 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001677004323 1175512179 /nfs/dbraw/zinc/51/21/79/1175512179.db2.gz SMBNQOTYNHPMRA-JKSUJKDBSA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001677138542 1175535082 /nfs/dbraw/zinc/53/50/82/1175535082.db2.gz SSYALEAXMCLGNR-QGZVFWFLSA-N 2 0 317.433 0.794 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC001687889018 1175590231 /nfs/dbraw/zinc/59/02/31/1175590231.db2.gz JJSMSLZGZALYBK-UHFFFAOYSA-N 2 0 310.442 0.040 20 30 DCEDRP COCCN(CC1CC[NH+](C)CC1)C(=O)NCC#CC[NH+](C)C ZINC001687889209 1175592097 /nfs/dbraw/zinc/59/20/97/1175592097.db2.gz POZZJDVKISGDCT-UHFFFAOYSA-N 2 0 324.469 0.551 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001684179134 1175988939 /nfs/dbraw/zinc/98/89/39/1175988939.db2.gz MRVZCJMHALNVKA-HNNXBMFYSA-N 2 0 308.426 0.104 20 30 DCEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001689019576 1176676485 /nfs/dbraw/zinc/67/64/85/1176676485.db2.gz ZMLAFBOCCODVAO-HRCADAONSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1OCC ZINC001689071459 1176688552 /nfs/dbraw/zinc/68/85/52/1176688552.db2.gz UEQRXFKFWQJMDL-IAGOWNOFSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001689203802 1176740240 /nfs/dbraw/zinc/74/02/40/1176740240.db2.gz BRECOZDIVPNGGU-DLBZAZTESA-N 2 0 321.465 0.779 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001690400819 1177236283 /nfs/dbraw/zinc/23/62/83/1177236283.db2.gz XMDZDOIOKYYPBS-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2conc2C)CC1 ZINC001690650221 1177294854 /nfs/dbraw/zinc/29/48/54/1177294854.db2.gz HOVOJCOZBWXQSC-CYBMUJFWSA-N 2 0 318.421 0.923 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001691926608 1177384816 /nfs/dbraw/zinc/38/48/16/1177384816.db2.gz YZIXGPKBVVHJJX-INIZCTEOSA-N 2 0 307.438 0.560 20 30 DCEDRP CCC[N@H+](C)CC(=O)NCC1([NH2+]CC#CCOC)CCCC1 ZINC001698806886 1177667308 /nfs/dbraw/zinc/66/73/08/1177667308.db2.gz RKBUFRSXAPUKKC-UHFFFAOYSA-N 2 0 309.454 0.997 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)COC2CC[NH+](C)CC2)CCCC1 ZINC001698806347 1177667883 /nfs/dbraw/zinc/66/78/83/1177667883.db2.gz FRNFZJMFQCSPIL-UHFFFAOYSA-N 2 0 307.438 0.749 20 30 DCEDRP C=CCOCC[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699001626 1177763981 /nfs/dbraw/zinc/76/39/81/1177763981.db2.gz LMBYCGGPKCWTLX-MRXNPFEDSA-N 2 0 309.454 0.921 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001699807709 1178291849 /nfs/dbraw/zinc/29/18/49/1178291849.db2.gz GXLMHKVAMXAZKA-QGZVFWFLSA-N 2 0 320.481 0.570 20 30 DCEDRP C=CC[N@H+]1CC[C@@](O)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001699897924 1178349097 /nfs/dbraw/zinc/34/90/97/1178349097.db2.gz KHMDLGZKAPYCBQ-QGZVFWFLSA-N 2 0 314.389 0.995 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001700241747 1178549357 /nfs/dbraw/zinc/54/93/57/1178549357.db2.gz JXAZKDFYCFHJRV-GOSISDBHSA-N 2 0 321.465 0.829 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CC[C@H](C)F)CC1 ZINC001700808161 1178758775 /nfs/dbraw/zinc/75/87/75/1178758775.db2.gz NUSNALWFACEPIQ-ZFWWWQNUSA-N 2 0 313.417 0.146 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC#CCOC)[C@H]1C ZINC001700826938 1178766910 /nfs/dbraw/zinc/76/69/10/1178766910.db2.gz WQRHYQSYVKAGBE-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001701024120 1178881201 /nfs/dbraw/zinc/88/12/01/1178881201.db2.gz ZGQKGYQRXBPIIZ-FHERZECASA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713219384 1180726743 /nfs/dbraw/zinc/72/67/43/1180726743.db2.gz PCWSRUYATREPIM-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001713416799 1180807359 /nfs/dbraw/zinc/80/73/59/1180807359.db2.gz VTTAWLUXKXQNSG-ILXRZTDVSA-N 2 0 324.469 0.503 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001713597850 1180955712 /nfs/dbraw/zinc/95/57/12/1180955712.db2.gz IEIXNTRLTLSNLN-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001713801401 1181077094 /nfs/dbraw/zinc/07/70/94/1181077094.db2.gz JHOABNRLLOYNOW-UHFFFAOYSA-N 2 0 322.497 0.721 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001714135138 1181258510 /nfs/dbraw/zinc/25/85/10/1181258510.db2.gz SFPMBVBPVJLLOB-HUUCEWRRSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CCC[NH2+]CCC1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC001714255255 1181296797 /nfs/dbraw/zinc/29/67/97/1181296797.db2.gz UZILXYUHAZSSGN-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001714279652 1181304568 /nfs/dbraw/zinc/30/45/68/1181304568.db2.gz XSGFGLFBPRGUNL-GJZGRUSLSA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001715073932 1181682153 /nfs/dbraw/zinc/68/21/53/1181682153.db2.gz STSIBPPBNJQATA-CQSZACIVSA-N 2 0 310.442 0.115 20 30 DCEDRP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CN(C)CCO2)cc1 ZINC001715193392 1181712911 /nfs/dbraw/zinc/71/29/11/1181712911.db2.gz JLFJAHSKIIUMEZ-MRXNPFEDSA-N 2 0 303.406 0.909 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001715415171 1181806215 /nfs/dbraw/zinc/80/62/15/1181806215.db2.gz LRABHTKGMGKAIC-CABCVRRESA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001715415177 1181806832 /nfs/dbraw/zinc/80/68/32/1181806832.db2.gz LRABHTKGMGKAIC-LSDHHAIUSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)[C@H](C)COC)CC1 ZINC001715539259 1181848143 /nfs/dbraw/zinc/84/81/43/1181848143.db2.gz HPGCEDJOSYRIHM-OAHLLOKOSA-N 2 0 309.454 0.757 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC#CCOC ZINC001715645921 1181921339 /nfs/dbraw/zinc/92/13/39/1181921339.db2.gz JZECQXPTPMTVNV-JKSUJKDBSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001716400125 1182375606 /nfs/dbraw/zinc/37/56/06/1182375606.db2.gz WTNFFHYXLRKHAZ-HIFRSBDPSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CC[N@@H+](CCOC)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001716718050 1182501634 /nfs/dbraw/zinc/50/16/34/1182501634.db2.gz ZIPXYCAHYWXHLY-UHFFFAOYSA-N 2 0 321.465 0.901 20 30 DCEDRP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001717253900 1182752126 /nfs/dbraw/zinc/75/21/26/1182752126.db2.gz IJBRSBBDOLXDAO-INIZCTEOSA-N 2 0 309.454 0.990 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)CC#CCOC)CC1 ZINC001717705063 1182958765 /nfs/dbraw/zinc/95/87/65/1182958765.db2.gz FJSDNTKRHWGBKF-UHFFFAOYSA-N 2 0 309.454 0.901 20 30 DCEDRP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001717939333 1183077732 /nfs/dbraw/zinc/07/77/32/1183077732.db2.gz FDMXJLSLJKEBNE-JKSUJKDBSA-N 2 0 309.454 0.635 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]CCCO)C2)CC1 ZINC001724610988 1184473168 /nfs/dbraw/zinc/47/31/68/1184473168.db2.gz XCJCMUDJVJAGBP-WBVHZDCISA-N 2 0 321.465 0.398 20 30 DCEDRP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001724641285 1184490195 /nfs/dbraw/zinc/49/01/95/1184490195.db2.gz IQZSPTRIOAPDHH-KRWDZBQOSA-N 2 0 305.422 0.049 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001724841988 1184588712 /nfs/dbraw/zinc/58/87/12/1184588712.db2.gz GLHKEWAMTOOJSY-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001724942698 1184631153 /nfs/dbraw/zinc/63/11/53/1184631153.db2.gz XKXTYCHARVBIRG-GJZGRUSLSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001725170953 1184706140 /nfs/dbraw/zinc/70/61/40/1184706140.db2.gz MLWKLFVNAYTWHL-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCC[C@@H](C)[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001725206962 1184725049 /nfs/dbraw/zinc/72/50/49/1184725049.db2.gz GAMQMWHOBABPJW-CABCVRRESA-N 2 0 309.454 0.846 20 30 DCEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001725271021 1184746052 /nfs/dbraw/zinc/74/60/52/1184746052.db2.gz XWVZZPDFCKRNAR-HUUCEWRRSA-N 2 0 309.454 0.967 20 30 DCEDRP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001725307912 1184763170 /nfs/dbraw/zinc/76/31/70/1184763170.db2.gz DQPJWRJLCUIWKA-OSYLJGHBSA-N 2 0 319.449 0.415 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001725782158 1184992149 /nfs/dbraw/zinc/99/21/49/1184992149.db2.gz FFRXRPZQGLPDKB-NFOMZHRRSA-N 2 0 322.453 0.045 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001731500747 1185363430 /nfs/dbraw/zinc/36/34/30/1185363430.db2.gz WVCVVIYQAZAZMC-CABCVRRESA-N 2 0 322.453 0.211 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001731527423 1185374438 /nfs/dbraw/zinc/37/44/38/1185374438.db2.gz YYDHINWMRDRWDH-OAHLLOKOSA-N 2 0 317.437 0.520 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001731621552 1185416590 /nfs/dbraw/zinc/41/65/90/1185416590.db2.gz FBIWWIXMWUSRJN-CYBMUJFWSA-N 2 0 310.442 0.115 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)C[C@H]2CCOC2)CC1 ZINC001731795049 1185491237 /nfs/dbraw/zinc/49/12/37/1185491237.db2.gz ARTPKLJNGQABRL-OAHLLOKOSA-N 2 0 307.438 0.416 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001731963065 1185609383 /nfs/dbraw/zinc/60/93/83/1185609383.db2.gz XBSSJQIUMBVFTP-CQSZACIVSA-N 2 0 324.469 0.457 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001732175696 1185721462 /nfs/dbraw/zinc/72/14/62/1185721462.db2.gz KXSVUWBXZABZSC-HZPDHXFCSA-N 2 0 307.438 0.511 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC#CCOC ZINC001732374464 1185785111 /nfs/dbraw/zinc/78/51/11/1185785111.db2.gz WMZDSKXODVWAMR-HZPDHXFCSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1=O ZINC001732983355 1186091040 /nfs/dbraw/zinc/09/10/40/1186091040.db2.gz JNNNSINVCVLGIR-KGLIPLIRSA-N 2 0 310.442 0.208 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C1 ZINC001733330604 1186230237 /nfs/dbraw/zinc/23/02/37/1186230237.db2.gz WWNCQBGWLUIRLB-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](C[C@H](C)OC)CC1 ZINC001733372559 1186244753 /nfs/dbraw/zinc/24/47/53/1186244753.db2.gz RFOZXPZWONGDHB-HNNXBMFYSA-N 2 0 309.454 0.899 20 30 DCEDRP C#CCC[NH2+]C1CCN(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001733583294 1186341742 /nfs/dbraw/zinc/34/17/42/1186341742.db2.gz GPCLBLFOWITGMC-UHFFFAOYSA-N 2 0 318.465 0.276 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CCO1 ZINC001733751324 1186432009 /nfs/dbraw/zinc/43/20/09/1186432009.db2.gz IGBNKIQHCJOMKG-IRXDYDNUSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001733820776 1186461302 /nfs/dbraw/zinc/46/13/02/1186461302.db2.gz DJOAMXCCZVCWFV-ZBFHGGJFSA-N 2 0 315.433 0.795 20 30 DCEDRP C#CCC[NH2+]CC1CC(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001733948624 1186505789 /nfs/dbraw/zinc/50/57/89/1186505789.db2.gz HVRHLRCUCDXIFY-UHFFFAOYSA-N 2 0 317.437 0.566 20 30 DCEDRP COCC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001734414700 1186646648 /nfs/dbraw/zinc/64/66/48/1186646648.db2.gz FTXZXDSVLJCRIM-LSDHHAIUSA-N 2 0 307.438 0.700 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001734414697 1186646824 /nfs/dbraw/zinc/64/68/24/1186646824.db2.gz FTXZXDSVLJCRIM-CABCVRRESA-N 2 0 307.438 0.700 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001734505365 1186667867 /nfs/dbraw/zinc/66/78/67/1186667867.db2.gz TUMNUIYLQSXFAY-KBPBESRZSA-N 2 0 322.453 0.067 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001752357576 1188417371 /nfs/dbraw/zinc/41/73/71/1188417371.db2.gz WEXVBUTVHKEKTN-INIZCTEOSA-N 2 0 308.470 0.638 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001752983848 1188471423 /nfs/dbraw/zinc/47/14/23/1188471423.db2.gz PWGHLGCOVJAHPJ-HZPDHXFCSA-N 2 0 309.454 0.993 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCOCC)CC2)CC1 ZINC001754535474 1188876107 /nfs/dbraw/zinc/87/61/07/1188876107.db2.gz JLLRGYXGFIESKT-UHFFFAOYSA-N 2 0 307.438 0.607 20 30 DCEDRP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001754942121 1188977499 /nfs/dbraw/zinc/97/74/99/1188977499.db2.gz GSHFOZCFNZTGRT-SJORKVTESA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001755252555 1189064688 /nfs/dbraw/zinc/06/46/88/1189064688.db2.gz JHEBJNLTEADTQC-STQMWFEESA-N 2 0 310.442 0.113 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[NH2+]CCCC)CC1 ZINC001755795704 1189218230 /nfs/dbraw/zinc/21/82/30/1189218230.db2.gz IVXGMBPUBFGISG-MRXNPFEDSA-N 2 0 309.454 0.541 20 30 DCEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001755846241 1189234982 /nfs/dbraw/zinc/23/49/82/1189234982.db2.gz ROAIQNMJUDPVPO-OAHLLOKOSA-N 2 0 321.465 0.947 20 30 DCEDRP CC[N@@H+]1CCC[C@H](CNC(NCCN2CCOCC2)=[NH+]C)C1 ZINC000303864515 1190297307 /nfs/dbraw/zinc/29/73/07/1190297307.db2.gz AZOPSORUCFKAGR-OAHLLOKOSA-N 2 0 311.474 0.216 20 30 DCEDRP COCC#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001167237101 747034394 /nfs/dbraw/zinc/03/43/94/747034394.db2.gz UNWSYTMSFKKVRU-HOTGVXAUSA-N 2 0 321.465 0.710 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cnc[nH]3)[C@H]2C1 ZINC001083207722 747143845 /nfs/dbraw/zinc/14/38/45/747143845.db2.gz KSTMRCYSQQAIMM-LSDHHAIUSA-N 2 0 304.394 0.830 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@@H](C)n1ccnc1 ZINC001167428216 747184298 /nfs/dbraw/zinc/18/42/98/747184298.db2.gz HZOUVDJWHPGTHS-KGLIPLIRSA-N 2 0 319.409 0.068 20 30 DCEDRP C=CC[N@@H+](CCO)C1CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001098547581 747204912 /nfs/dbraw/zinc/20/49/12/747204912.db2.gz BOWPRZDMJZIUGG-UHFFFAOYSA-N 2 0 306.410 0.732 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001167626698 747436660 /nfs/dbraw/zinc/43/66/60/747436660.db2.gz FTOOLBKIJMAIQH-OAHLLOKOSA-N 2 0 322.453 0.095 20 30 DCEDRP C#CCC[N@@H+](CCO)C1CCN(C(=O)Cn2ccnc2)CC1 ZINC001098584249 747582125 /nfs/dbraw/zinc/58/21/25/747582125.db2.gz QIGATHSAGOYGBJ-UHFFFAOYSA-N 2 0 304.394 0.192 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104621289 747804433 /nfs/dbraw/zinc/80/44/33/747804433.db2.gz CREINQWWPMCUDG-HZPDHXFCSA-N 2 0 309.454 0.662 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC#C)CC2)[C@H]1C ZINC001089059300 750781526 /nfs/dbraw/zinc/78/15/26/750781526.db2.gz HPMZCQJZEZWVIK-WBVHZDCISA-N 2 0 301.434 0.934 20 30 DCEDRP CC#CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC2(CCOCC2)C1 ZINC001099590742 752540424 /nfs/dbraw/zinc/54/04/24/752540424.db2.gz IKTIUDPTHPZPTP-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001044607718 752807222 /nfs/dbraw/zinc/80/72/22/752807222.db2.gz DZZZKVYHBBJRAZ-CABCVRRESA-N 2 0 317.437 0.661 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001078227067 753122791 /nfs/dbraw/zinc/12/27/91/753122791.db2.gz HOHFKBYBHBZFRU-IAGOWNOFSA-N 2 0 315.417 0.546 20 30 DCEDRP C=CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001046035092 753437254 /nfs/dbraw/zinc/43/72/54/753437254.db2.gz DIYHODFSCHJDFX-KRWDZBQOSA-N 2 0 320.481 0.875 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001046062536 753455980 /nfs/dbraw/zinc/45/59/80/753455980.db2.gz UFYJFJBZUKLENV-IAGOWNOFSA-N 2 0 322.497 0.977 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3ncc[nH]3)CC2)C1 ZINC001046074295 753465219 /nfs/dbraw/zinc/46/52/19/753465219.db2.gz XHSDTLKXVDTKKM-OAHLLOKOSA-N 2 0 317.437 0.747 20 30 DCEDRP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046075856 753467964 /nfs/dbraw/zinc/46/79/64/753467964.db2.gz GVOFSQATQCCXSO-IAGOWNOFSA-N 2 0 318.465 0.180 20 30 DCEDRP C=C(C)C[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046082475 753472540 /nfs/dbraw/zinc/47/25/40/753472540.db2.gz SDKVXLPVDFREFT-IRXDYDNUSA-N 2 0 320.481 0.733 20 30 DCEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001096140352 754035559 /nfs/dbraw/zinc/03/55/59/754035559.db2.gz VKEMQDYQFFZWCE-PMPSAXMXSA-N 2 0 317.437 0.966 20 30 DCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)[C@@H](C)C1 ZINC001044872146 754220458 /nfs/dbraw/zinc/22/04/58/754220458.db2.gz OFFMRUNMCXOBOB-DOTOQJQBSA-N 2 0 301.434 0.934 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001047524405 754355697 /nfs/dbraw/zinc/35/56/97/754355697.db2.gz GQSRWNRICBKGLA-SNPRPXQTSA-N 2 0 318.421 0.909 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC#C)C2)CC1 ZINC001072099178 762356466 /nfs/dbraw/zinc/35/64/66/762356466.db2.gz NDVKZLCQTIKLHA-WBVHZDCISA-N 2 0 301.434 0.934 20 30 DCEDRP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)O2 ZINC001053698693 756151905 /nfs/dbraw/zinc/15/19/05/756151905.db2.gz SJFBDZLNRJESHP-CABCVRRESA-N 2 0 307.438 0.864 20 30 DCEDRP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)O2 ZINC001053698696 756152000 /nfs/dbraw/zinc/15/20/00/756152000.db2.gz SJFBDZLNRJESHP-LSDHHAIUSA-N 2 0 307.438 0.864 20 30 DCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080593195 756249416 /nfs/dbraw/zinc/24/94/16/756249416.db2.gz NPFGTIAELGNBKR-GDBMZVCRSA-N 2 0 317.437 0.518 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090392912 757376989 /nfs/dbraw/zinc/37/69/89/757376989.db2.gz XMPSZHVZZTZIKF-HUUCEWRRSA-N 2 0 305.422 0.190 20 30 DCEDRP C#CC[NH+](CCO)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001098396031 762663396 /nfs/dbraw/zinc/66/33/96/762663396.db2.gz LSJPIPBHQXUIAI-MRXNPFEDSA-N 2 0 321.465 0.779 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H](C)O)CC1 ZINC001085432516 758873452 /nfs/dbraw/zinc/87/34/52/758873452.db2.gz BPCHVDDSXRFQFY-DJIMGWMZSA-N 2 0 321.465 0.729 20 30 DCEDRP C=CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001051995374 759098717 /nfs/dbraw/zinc/09/87/17/759098717.db2.gz CJYMNXWJADLLBX-SJORKVTESA-N 2 0 320.481 0.875 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001123656355 768015227 /nfs/dbraw/zinc/01/52/27/768015227.db2.gz ROUNUGJPKKHCPY-HOCLYGCPSA-N 2 0 323.485 0.570 20 30 DCEDRP C#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001070435883 761236691 /nfs/dbraw/zinc/23/66/91/761236691.db2.gz UWMUFUAXIQJTRO-UONOGXRCSA-N 2 0 315.421 0.400 20 30 DCEDRP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@@H](C)O2 ZINC001071227222 761724568 /nfs/dbraw/zinc/72/45/68/761724568.db2.gz BEBRBZCLTBPNLP-CRAIPNDOSA-N 2 0 319.449 0.960 20 30 DCEDRP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001098841665 762740217 /nfs/dbraw/zinc/74/02/17/762740217.db2.gz MRGSVOJVASASAB-BQFCYCMXSA-N 2 0 301.434 0.932 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001086970945 768106261 /nfs/dbraw/zinc/10/62/61/768106261.db2.gz OVRMDLZZLIVUJO-ARFHVFGLSA-N 2 0 315.421 0.032 20 30 DCEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](O)C1 ZINC001099879090 763096171 /nfs/dbraw/zinc/09/61/71/763096171.db2.gz FGVCYCWINSDLIP-HZPDHXFCSA-N 2 0 309.454 0.988 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100014083 763218101 /nfs/dbraw/zinc/21/81/01/763218101.db2.gz YJMRPSIDYNMPNZ-HUUCEWRRSA-N 2 0 309.454 0.539 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[NH+](C)C)C1 ZINC001130415796 763293111 /nfs/dbraw/zinc/29/31/11/763293111.db2.gz PNQHPLVQZUFMSV-CYBMUJFWSA-N 2 0 303.410 0.400 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100127584 763336037 /nfs/dbraw/zinc/33/60/37/763336037.db2.gz XEAMLCLGRGQALU-HZPDHXFCSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100141542 763346881 /nfs/dbraw/zinc/34/68/81/763346881.db2.gz VPNMUBCELKDUIE-HZPDHXFCSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001100409745 763558974 /nfs/dbraw/zinc/55/89/74/763558974.db2.gz HWPWACJWEGDJJS-UHFFFAOYSA-N 2 0 322.453 0.257 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001100827725 763811887 /nfs/dbraw/zinc/81/18/87/763811887.db2.gz RFUYXWCUBLYOFR-UHFFFAOYSA-N 2 0 310.442 0.115 20 30 DCEDRP C#CCC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001098479190 764492402 /nfs/dbraw/zinc/49/24/02/764492402.db2.gz WRMYISIEEAGHKM-DOTOQJQBSA-N 2 0 321.465 0.493 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CCO)C[C@@]3(C)C2)CC1 ZINC001092300019 768260768 /nfs/dbraw/zinc/26/07/68/768260768.db2.gz PEOAROBBEPULJB-AEFFLSMTSA-N 2 0 319.449 0.104 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001133690660 765095540 /nfs/dbraw/zinc/09/55/40/765095540.db2.gz SHSKRBCAPCFNDK-KBPBESRZSA-N 2 0 312.458 0.503 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111983662 765444790 /nfs/dbraw/zinc/44/47/90/765444790.db2.gz OCLLVDXWXDWKSF-RYRKJORJSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001134398470 765505948 /nfs/dbraw/zinc/50/59/48/765505948.db2.gz BJVKMIAVZYNUEA-KBPBESRZSA-N 2 0 305.426 0.564 20 30 DCEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001134391861 765510381 /nfs/dbraw/zinc/51/03/81/765510381.db2.gz IYANQLAZMBOCRN-GJZGRUSLSA-N 2 0 319.453 0.955 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584764 765580867 /nfs/dbraw/zinc/58/08/67/765580867.db2.gz WTTKWPLHQVAPIJ-ZIAGYGMSSA-N 2 0 322.453 0.093 20 30 DCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001115245018 765660259 /nfs/dbraw/zinc/66/02/59/765660259.db2.gz KBABYVAOODGRJY-WCVJEAGWSA-N 2 0 305.422 0.024 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773647 765667036 /nfs/dbraw/zinc/66/70/36/765667036.db2.gz PVLWOINRIGVCTG-KGLIPLIRSA-N 2 0 324.469 0.339 20 30 DCEDRP O=C(NCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1N=CC=CC1=O ZINC001116467135 765873825 /nfs/dbraw/zinc/87/38/25/765873825.db2.gz SKTRNLVPVPIXOL-QVDVFPETSA-N 2 0 304.394 0.729 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299054 765873761 /nfs/dbraw/zinc/87/37/61/765873761.db2.gz SUUYOZDNDHCDTI-ZIAGYGMSSA-N 2 0 324.469 0.503 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001135477378 765949968 /nfs/dbraw/zinc/94/99/68/765949968.db2.gz FTIHSPQDKJHXSF-HNNXBMFYSA-N 2 0 312.458 0.361 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135923271 766173313 /nfs/dbraw/zinc/17/33/13/766173313.db2.gz JKMPHPUZUSHPCX-GJZGRUSLSA-N 2 0 313.442 0.087 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001136102215 766234876 /nfs/dbraw/zinc/23/48/76/766234876.db2.gz LOJUWVHIXNRPQG-UHFFFAOYSA-N 2 0 317.437 0.567 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001136524931 766317890 /nfs/dbraw/zinc/31/78/90/766317890.db2.gz RKNFNJGEHUUHES-AWEZNQCLSA-N 2 0 308.426 0.045 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001090691983 766481906 /nfs/dbraw/zinc/48/19/06/766481906.db2.gz JEEJENAEHZHIEZ-SJORKVTESA-N 2 0 321.465 0.682 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCC)C[C@H]2O)CC1 ZINC001090831947 766648890 /nfs/dbraw/zinc/64/88/90/766648890.db2.gz XNEVZTIKSPOTCD-IAGOWNOFSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(C)C)C[C@@H]2O)CC1 ZINC001090830598 766648937 /nfs/dbraw/zinc/64/89/37/766648937.db2.gz NOFPOUXCNWLRBR-IRXDYDNUSA-N 2 0 321.465 0.539 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171225953 767049030 /nfs/dbraw/zinc/04/90/30/767049030.db2.gz BWHMDRLQBOAGRB-KBPBESRZSA-N 2 0 310.442 0.115 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)CCCC[NH+](C)C)C1=O ZINC001171579584 769323826 /nfs/dbraw/zinc/32/38/26/769323826.db2.gz XOGBERGGYAHWSG-OAHLLOKOSA-N 2 0 324.469 0.601 20 30 DCEDRP C#CC[NH+]1CCC(CCOC)(NC(=O)C[NH+](CC)CC)CC1 ZINC001151374863 769326516 /nfs/dbraw/zinc/32/65/16/769326516.db2.gz PCNIPKIEPNJMJH-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@H](OCC)C2CC2)CC1 ZINC001152330035 769529136 /nfs/dbraw/zinc/52/91/36/769529136.db2.gz IESPIMGWFPFMDY-KRWDZBQOSA-N 2 0 321.465 0.853 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152473597 769571609 /nfs/dbraw/zinc/57/16/09/769571609.db2.gz XCAJOYYNOZSETO-OAHLLOKOSA-N 2 0 310.442 0.115 20 30 DCEDRP C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@H+](CCCC[NH3+])C2 ZINC001235453816 769848880 /nfs/dbraw/zinc/84/88/80/769848880.db2.gz MAGLFDLPBXKRRK-KRWDZBQOSA-N 2 0 308.470 0.908 20 30 DCEDRP N#Cc1ccc(CCCN2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001235868866 769952095 /nfs/dbraw/zinc/95/20/95/769952095.db2.gz GDGSFLGMJVSTQC-UHFFFAOYSA-N 2 0 315.465 0.575 20 30 DCEDRP C=CCC1(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001238239498 770108490 /nfs/dbraw/zinc/10/84/90/770108490.db2.gz CJIWUAUXQRTOBX-ZDUSSCGKSA-N 2 0 313.467 0.889 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C[N@@H+](C)C(C)C)C1=O ZINC001176972024 770264392 /nfs/dbraw/zinc/26/43/92/770264392.db2.gz LBDNPWYFMRLIEO-CQSZACIVSA-N 2 0 310.442 0.209 20 30 DCEDRP N#Cc1c(N[C@@H]2COCCC23C[NH2+]C3)ncc2c1CCC[NH2+]C2 ZINC001155462838 770511242 /nfs/dbraw/zinc/51/12/42/770511242.db2.gz QKOIUAXLQXFZKC-OAHLLOKOSA-N 2 0 313.405 0.779 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC001179409864 771007147 /nfs/dbraw/zinc/00/71/47/771007147.db2.gz RMLLCIFXRURWRJ-QAETUUGQSA-N 2 0 321.465 0.946 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+](CC)CC)[C@H]1C ZINC001179764232 771013211 /nfs/dbraw/zinc/01/32/11/771013211.db2.gz VERIYZCMFMCFLV-KBPBESRZSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001182486448 771503908 /nfs/dbraw/zinc/50/39/08/771503908.db2.gz NKJVGPCDVFCGNA-RHSMWYFYSA-N 2 0 324.469 0.315 20 30 DCEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001183043418 771596199 /nfs/dbraw/zinc/59/61/99/771596199.db2.gz RVXLWROFJKXTMK-DLBZAZTESA-N 2 0 320.481 0.875 20 30 DCEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001183076329 771600600 /nfs/dbraw/zinc/60/06/00/771600600.db2.gz XSZZPKDITVPFTO-MRXNPFEDSA-N 2 0 307.438 0.962 20 30 DCEDRP N#Cc1ccccc1N1CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001157473697 771616155 /nfs/dbraw/zinc/61/61/55/771616155.db2.gz AEGVYGUADADHHI-HNNXBMFYSA-N 2 0 315.421 0.663 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001183240806 771627583 /nfs/dbraw/zinc/62/75/83/771627583.db2.gz UXZSPVAONFPSBV-IAGOWNOFSA-N 2 0 321.465 0.805 20 30 DCEDRP N#Cc1ccc2c(c1)CCN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)C2 ZINC001157935586 771697211 /nfs/dbraw/zinc/69/72/11/771697211.db2.gz DYSWPQHTNNOPNL-SJLPKXTDSA-N 2 0 310.401 0.642 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158029832 771715371 /nfs/dbraw/zinc/71/53/71/771715371.db2.gz LKOAKOXUWVQIRE-CABCVRRESA-N 2 0 322.453 0.259 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185407803 771916359 /nfs/dbraw/zinc/91/63/59/771916359.db2.gz CKQBYIBIGPSRBU-OAHLLOKOSA-N 2 0 324.469 0.553 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001185679254 771947314 /nfs/dbraw/zinc/94/73/14/771947314.db2.gz BCLDZPDEESKTHJ-DLBZAZTESA-N 2 0 321.465 0.806 20 30 DCEDRP CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1N[C@H]([NH3+])CCC[NH3+] ZINC001159788086 771958010 /nfs/dbraw/zinc/95/80/10/771958010.db2.gz GTHDGSSLCLHXGS-QWRGUYRKSA-N 2 0 320.397 0.861 20 30 DCEDRP CC#CC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159868516 771971060 /nfs/dbraw/zinc/97/10/60/771971060.db2.gz FPYKDMFKBLEZDO-MRXNPFEDSA-N 2 0 307.438 0.749 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160434043 772037646 /nfs/dbraw/zinc/03/76/46/772037646.db2.gz PPPRKVFRPZWGBK-KGLIPLIRSA-N 2 0 312.458 0.359 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]C[C@H](CC)OC)C2)CC1 ZINC001188090461 772264845 /nfs/dbraw/zinc/26/48/45/772264845.db2.gz FBPAHMCUJSBWAL-SJORKVTESA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190655188 772658656 /nfs/dbraw/zinc/65/86/56/772658656.db2.gz ONONMHMGAUMYDP-JKSUJKDBSA-N 2 0 307.438 0.509 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165788277 772762801 /nfs/dbraw/zinc/76/28/01/772762801.db2.gz CKSFISHULWYDEB-CYBMUJFWSA-N 2 0 310.442 0.115 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001192353093 772909060 /nfs/dbraw/zinc/90/90/60/772909060.db2.gz ADGYYJAUCOVMNQ-JKSUJKDBSA-N 2 0 307.438 0.511 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192679858 772947571 /nfs/dbraw/zinc/94/75/71/772947571.db2.gz GOORJJGXBWNABI-KRWDZBQOSA-N 2 0 321.465 0.901 20 30 DCEDRP CC[NH+](CC)CCN(CC[NH+](CC)CC)S(=O)(=O)CC#N ZINC001192963401 772982077 /nfs/dbraw/zinc/98/20/77/772982077.db2.gz LMKPDPFFYMMOFA-UHFFFAOYSA-N 2 0 318.487 0.825 20 30 DCEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001205345775 772988081 /nfs/dbraw/zinc/98/80/81/772988081.db2.gz YAHLPDZSSYFVHY-IRXDYDNUSA-N 2 0 319.449 0.701 20 30 DCEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001206929888 773138302 /nfs/dbraw/zinc/13/83/02/773138302.db2.gz HLXHERXKNTUIBA-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001208066428 773393055 /nfs/dbraw/zinc/39/30/55/773393055.db2.gz YBRNODFYINBQDB-OAHLLOKOSA-N 2 0 317.437 0.662 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001208374056 773446263 /nfs/dbraw/zinc/44/62/63/773446263.db2.gz VALVAPVGKVNREP-CVEARBPZSA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195661018 773460195 /nfs/dbraw/zinc/46/01/95/773460195.db2.gz DNVNITWOZINJIE-RRFJBIMHSA-N 2 0 309.454 0.844 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001208640021 773509843 /nfs/dbraw/zinc/50/98/43/773509843.db2.gz XLLVPNMBZWLEJF-NDUQDZPOSA-N 2 0 317.433 0.454 20 30 DCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001208739198 773523815 /nfs/dbraw/zinc/52/38/15/773523815.db2.gz PWJJECNCTORVQE-IXDOHACOSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209277415 773581813 /nfs/dbraw/zinc/58/18/13/773581813.db2.gz INBFYIVBHHAOFQ-CQSZACIVSA-N 2 0 322.453 0.211 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210426826 773707969 /nfs/dbraw/zinc/70/79/69/773707969.db2.gz LJAPCKFIFFCUND-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H]2C[C@@]23CCOC3)CC1 ZINC001152330730 773730723 /nfs/dbraw/zinc/73/07/23/773730723.db2.gz UGXGJGOSTHTUQT-FUHWJXTLSA-N 2 0 319.449 0.464 20 30 DCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211090201 773769226 /nfs/dbraw/zinc/76/92/26/773769226.db2.gz HSIPOSJDESVSFU-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001214861020 774019739 /nfs/dbraw/zinc/01/97/39/774019739.db2.gz FVRPHPNKRCFUMN-GDBMZVCRSA-N 2 0 307.438 0.557 20 30 DCEDRP CC#CCN1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052281 774354577 /nfs/dbraw/zinc/35/45/77/774354577.db2.gz QUALEQLYDUDOHB-DLBZAZTESA-N 2 0 319.449 0.797 20 30 DCEDRP COC(=O)c1cc(C#N)cc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1 ZINC001219136252 774384077 /nfs/dbraw/zinc/38/40/77/774384077.db2.gz BOKVVHHPLIURBO-LBPRGKRZSA-N 2 0 322.390 0.303 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCCO1 ZINC001201063486 774440430 /nfs/dbraw/zinc/44/04/30/774440430.db2.gz UONVFKJCCQMEFR-DLBZAZTESA-N 2 0 319.449 0.701 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CCCO1 ZINC001201403378 774501728 /nfs/dbraw/zinc/50/17/28/774501728.db2.gz KFKMQNQEVFCNMQ-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CCCO1 ZINC001201419648 774506961 /nfs/dbraw/zinc/50/69/61/774506961.db2.gz HDTBDKUDUYRRGB-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001202358607 774640254 /nfs/dbraw/zinc/64/02/54/774640254.db2.gz CTOVVLCHYPLLOU-MRXNPFEDSA-N 2 0 309.454 0.803 20 30 DCEDRP O=C(/C=C/NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(F)(F)F ZINC001220343551 774779411 /nfs/dbraw/zinc/77/94/11/774779411.db2.gz SBXRUNPUEDGVPJ-YUWISIADSA-N 2 0 305.300 0.622 20 30 DCEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001114457887 774879429 /nfs/dbraw/zinc/87/94/29/774879429.db2.gz BOYGQPRIRVRGIG-FICVDOATSA-N 2 0 307.438 0.577 20 30 DCEDRP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@@H](O)C1 ZINC001221085465 774992744 /nfs/dbraw/zinc/99/27/44/774992744.db2.gz KWPDYHGIUMSUSN-PMPSAXMXSA-N 2 0 309.454 0.988 20 30 DCEDRP C=C1C[NH2+][C@](C)(C(=O)N2CCC(C3=CC=C(N)C[NH2+]3)CC2)C1 ZINC001221393022 775084514 /nfs/dbraw/zinc/08/45/14/775084514.db2.gz SXKPKOOXCZBREM-KRWDZBQOSA-N 2 0 302.422 0.863 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228355968 776074866 /nfs/dbraw/zinc/07/48/66/776074866.db2.gz XOGILTPQQIUGPD-RBSFLKMASA-N 2 0 324.469 0.646 20 30 DCEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001230149489 776259387 /nfs/dbraw/zinc/25/93/87/776259387.db2.gz LGIJULQPHFAWOX-BRWVUGGUSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001041835880 777531500 /nfs/dbraw/zinc/53/15/00/777531500.db2.gz XHQWKGUQWWBLHS-SJLPKXTDSA-N 2 0 319.449 0.512 20 30 DCEDRP CC[N@@H+](CC#CCOC)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001266397233 939104984 /nfs/dbraw/zinc/10/49/84/939104984.db2.gz UUWFIJZZMGJWPL-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001266569920 939167054 /nfs/dbraw/zinc/16/70/54/939167054.db2.gz QPPPWEZSRFNFCO-KGLIPLIRSA-N 2 0 310.442 0.208 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1=O ZINC001266743591 939225846 /nfs/dbraw/zinc/22/58/46/939225846.db2.gz JRUMLKKPEUNULH-HUUCEWRRSA-N 2 0 322.453 0.306 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001267043949 939321814 /nfs/dbraw/zinc/32/18/14/939321814.db2.gz FMUKVTMVQUFAKB-CQSZACIVSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1=O ZINC001267429054 939454164 /nfs/dbraw/zinc/45/41/64/939454164.db2.gz MHURLDJNHQWDSZ-GJZGRUSLSA-N 2 0 322.453 0.163 20 30 DCEDRP COCC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001267484870 939474860 /nfs/dbraw/zinc/47/48/60/939474860.db2.gz QDEJEKLBDQFZOB-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP CC[N@@H+](CC#CCOC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480975475 939508373 /nfs/dbraw/zinc/50/83/73/939508373.db2.gz VALDQIAANYQMLD-MRXNPFEDSA-N 2 0 307.438 0.416 20 30 DCEDRP C=CC[NH+]1CCN(CCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001267576525 939522010 /nfs/dbraw/zinc/52/20/10/939522010.db2.gz ZKKPRIDELROUEL-INIZCTEOSA-N 2 0 308.470 0.590 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481522338 939913894 /nfs/dbraw/zinc/91/38/94/939913894.db2.gz FQXPVMRKRWVNCI-ILXRZTDVSA-N 2 0 324.469 0.598 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)C[NH+]2CCCC2)C1=O ZINC001268100588 939947623 /nfs/dbraw/zinc/94/76/23/939947623.db2.gz NPHRMWXNAJYLRX-HUUCEWRRSA-N 2 0 322.453 0.306 20 30 DCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001268137976 939956467 /nfs/dbraw/zinc/95/64/67/939956467.db2.gz OEUAQELAVMGUFP-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCc1c[nH]cn1 ZINC001268283116 940018073 /nfs/dbraw/zinc/01/80/73/940018073.db2.gz YHIDOBXCLISHKJ-GDBMZVCRSA-N 2 0 318.421 0.867 20 30 DCEDRP COCC#CC[NH2+]CC1(NC(=O)C[N@H+](C)C(C)C)CCCC1 ZINC001481913414 940179976 /nfs/dbraw/zinc/17/99/76/940179976.db2.gz UWKKQMZGBJXHHS-UHFFFAOYSA-N 2 0 309.454 0.995 20 30 DCEDRP COCC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001268790472 940361794 /nfs/dbraw/zinc/36/17/94/940361794.db2.gz GBDORDMFOGMUFZ-MRXNPFEDSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001279114199 940421182 /nfs/dbraw/zinc/42/11/82/940421182.db2.gz QKGRHLLLBAHPEB-CVEARBPZSA-N 2 0 321.465 0.662 20 30 DCEDRP C=CCN1C[C@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001273144224 945324581 /nfs/dbraw/zinc/32/45/81/945324581.db2.gz OLLZGZUOGWDCDR-DOTOQJQBSA-N 2 0 307.438 0.818 20 30 DCEDRP CC[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC#CCOC ZINC001269417394 940703447 /nfs/dbraw/zinc/70/34/47/940703447.db2.gz HFIQEOCFLVVDDY-CVEARBPZSA-N 2 0 309.454 0.995 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001284652942 940787815 /nfs/dbraw/zinc/78/78/15/940787815.db2.gz NHRPZBLDQMGDIH-OAHLLOKOSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001269981431 940810099 /nfs/dbraw/zinc/81/00/99/940810099.db2.gz LSAOOCCKVLLOTL-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001482293057 940912550 /nfs/dbraw/zinc/91/25/50/940912550.db2.gz UVUBQXJBBMLMQT-CYBMUJFWSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CC[NH2+]C1CCN(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001271918601 941479414 /nfs/dbraw/zinc/47/94/14/941479414.db2.gz MDFBMIMDOFUZLJ-UHFFFAOYSA-N 2 0 308.470 0.684 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001272520336 942799991 /nfs/dbraw/zinc/79/99/91/942799991.db2.gz HGSODYBRZQIBCK-CJNGLKHVSA-N 2 0 313.417 0.289 20 30 DCEDRP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484234173 943235670 /nfs/dbraw/zinc/23/56/70/943235670.db2.gz SQNIPOXTAGJCPB-QGZVFWFLSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@H+](CC=C)C2)CC1 ZINC001484251571 943263102 /nfs/dbraw/zinc/26/31/02/943263102.db2.gz FUAODUUPNJVEKH-KRWDZBQOSA-N 2 0 305.422 0.071 20 30 DCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001484841512 943591415 /nfs/dbraw/zinc/59/14/15/943591415.db2.gz OMVSREPWPNOIJN-ZMSDIMECSA-N 2 0 309.454 0.846 20 30 DCEDRP CC#CC[NH2+]CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCOCC1 ZINC001484863955 943606427 /nfs/dbraw/zinc/60/64/27/943606427.db2.gz HSQUHKDXDQRLJN-MRXNPFEDSA-N 2 0 319.449 0.607 20 30 DCEDRP C#CCC[NH2+]CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCOCC1 ZINC001484864019 943606751 /nfs/dbraw/zinc/60/67/51/943606751.db2.gz KJPHMUGCRIQAAB-MRXNPFEDSA-N 2 0 319.449 0.607 20 30 DCEDRP C=CCOCC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001484897905 943620328 /nfs/dbraw/zinc/62/03/28/943620328.db2.gz SJUZWSXGWHCPMH-GJZGRUSLSA-N 2 0 309.454 0.967 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001484997446 943647465 /nfs/dbraw/zinc/64/74/65/943647465.db2.gz SUGFSVBHHUIEOT-ZNMIVQPWSA-N 2 0 324.469 0.646 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001485203687 943753680 /nfs/dbraw/zinc/75/36/80/943753680.db2.gz DPMMEPGIULPDCC-JKSUJKDBSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)CCN1CCOCC1 ZINC001485482209 943955786 /nfs/dbraw/zinc/95/57/86/943955786.db2.gz JSQKSUIJSHRZFL-INIZCTEOSA-N 2 0 307.438 0.703 20 30 DCEDRP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001485604313 944028337 /nfs/dbraw/zinc/02/83/37/944028337.db2.gz VESMAKAJKGWEJF-JONQDZQNSA-N 2 0 309.429 0.984 20 30 DCEDRP C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001485998388 944472815 /nfs/dbraw/zinc/47/28/15/944472815.db2.gz WNIAVZNWTTVNFF-HUUCEWRRSA-N 2 0 309.454 0.894 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH2+]CCO)CC1 ZINC001316877214 944608232 /nfs/dbraw/zinc/60/82/32/944608232.db2.gz CIRKOFPHMDIRJZ-NVXWUHKLSA-N 2 0 321.465 0.683 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001277140792 944677917 /nfs/dbraw/zinc/67/79/17/944677917.db2.gz KWFOIPMNJKBYCC-ZDUSSCGKSA-N 2 0 308.426 0.011 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317117250 944805181 /nfs/dbraw/zinc/80/51/81/944805181.db2.gz GDMQGNFZTGPQPU-IGQOVBAYSA-N 2 0 308.426 0.008 20 30 DCEDRP C#CCC[N@@H+](CCOC)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001277413755 944811536 /nfs/dbraw/zinc/81/15/36/944811536.db2.gz YWCFCYSUFFCYLU-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CCC[N@@H+](CCOC)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001277413756 944812431 /nfs/dbraw/zinc/81/24/31/944812431.db2.gz YWCFCYSUFFCYLU-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CN(CC)CCO1 ZINC001317198279 944847400 /nfs/dbraw/zinc/84/74/00/944847400.db2.gz FAXKXRCROQWRQR-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001317260728 944883884 /nfs/dbraw/zinc/88/38/84/944883884.db2.gz VKBWJNILVFDDKY-ZIAGYGMSSA-N 2 0 322.453 0.400 20 30 DCEDRP C=CCN1CC[C@@]2(CCC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1=O ZINC001246704319 945465044 /nfs/dbraw/zinc/46/50/44/945465044.db2.gz QKJXEKIGSVQANY-DOTOQJQBSA-N 2 0 318.465 0.581 20 30 DCEDRP N#Cc1ccnc(N2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)c1 ZINC001246836625 945501637 /nfs/dbraw/zinc/50/16/37/945501637.db2.gz MMDIHXRTOIXIIY-OAHLLOKOSA-N 2 0 312.421 0.169 20 30 DCEDRP C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001247003089 945541127 /nfs/dbraw/zinc/54/11/27/945541127.db2.gz NGPGMIMLRNYPRT-KBPBESRZSA-N 2 0 308.426 0.457 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]C[C@@H](C)O)CC(C)C)CC1 ZINC001319641700 945637188 /nfs/dbraw/zinc/63/71/88/945637188.db2.gz AMUCCXUHXZVINB-NVXWUHKLSA-N 2 0 323.481 0.833 20 30 DCEDRP C#CCOC[C@H](O)C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC001251896992 945812676 /nfs/dbraw/zinc/81/26/76/945812676.db2.gz RPESUKWCDIZDED-GOSISDBHSA-N 2 0 317.433 0.894 20 30 DCEDRP C=C[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001253576988 946131487 /nfs/dbraw/zinc/13/14/87/946131487.db2.gz JMQDTIWRZBECAI-RCCFBDPRSA-N 2 0 323.481 0.794 20 30 DCEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001278817377 946436791 /nfs/dbraw/zinc/43/67/91/946436791.db2.gz OYXQNEBKZGHZGM-INIZCTEOSA-N 2 0 303.406 0.404 20 30 DCEDRP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001278860561 946495097 /nfs/dbraw/zinc/49/50/97/946495097.db2.gz ZUNMCNDLOZDCGM-HNNXBMFYSA-N 2 0 307.438 0.247 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CCO1 ZINC001273323479 946629212 /nfs/dbraw/zinc/62/92/12/946629212.db2.gz NTGQRILVGFPVHE-HOTGVXAUSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([C@H](C)[NH2+]CCO)C2)CC1 ZINC001279044003 946768171 /nfs/dbraw/zinc/76/81/71/946768171.db2.gz FCXSHIQZUMDQGZ-HOCLYGCPSA-N 2 0 307.438 0.151 20 30 DCEDRP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001324777328 947530112 /nfs/dbraw/zinc/53/01/12/947530112.db2.gz UXVANACSTORNAY-KRWDZBQOSA-N 2 0 309.454 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135336904 947662910 /nfs/dbraw/zinc/66/29/10/947662910.db2.gz OHOPANOMIUCSTQ-UHFFFAOYSA-N 2 0 318.421 0.370 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCC(NCC#N)CC2)CC[N@@H+]1C ZINC001325795136 947926669 /nfs/dbraw/zinc/92/66/69/947926669.db2.gz QLLMEMZRAWZQIJ-JKSUJKDBSA-N 2 0 321.469 0.410 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+][C@H](CC)C(N)=O)CC1 ZINC001273766098 948076763 /nfs/dbraw/zinc/07/67/63/948076763.db2.gz XAOLXZGFXIHXNA-OAHLLOKOSA-N 2 0 322.453 0.034 20 30 DCEDRP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001327602883 948566485 /nfs/dbraw/zinc/56/64/85/948566485.db2.gz IPAOMGUYTKQSGU-NVXWUHKLSA-N 2 0 309.454 0.847 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001328174814 948733237 /nfs/dbraw/zinc/73/32/37/948733237.db2.gz LXWOZQVCFGLXGJ-OAHLLOKOSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CCC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001264077151 948866542 /nfs/dbraw/zinc/86/65/42/948866542.db2.gz UONKEUGGMQJBQD-DLBZAZTESA-N 2 0 321.465 0.779 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1OCC ZINC001264529997 948996529 /nfs/dbraw/zinc/99/65/29/948996529.db2.gz UCYOGSCGUGLBFM-BRWVUGGUSA-N 2 0 321.465 0.947 20 30 DCEDRP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]1CC#CCOC ZINC001264626924 949032125 /nfs/dbraw/zinc/03/21/25/949032125.db2.gz BSJZWLKUUJZBMX-JKSUJKDBSA-N 2 0 309.454 0.946 20 30 DCEDRP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001264631830 949036299 /nfs/dbraw/zinc/03/62/99/949036299.db2.gz CBYPWPGXDZOOJD-IRXDYDNUSA-N 2 0 321.465 0.779 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+]CCOCC)C2)CC1 ZINC001328961693 949236606 /nfs/dbraw/zinc/23/66/06/949236606.db2.gz UYULOYXIRFYXIT-UHFFFAOYSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC[C@H](C)O)C1 ZINC001265543220 949755576 /nfs/dbraw/zinc/75/55/76/949755576.db2.gz HDCTUXHDPKSNGJ-JONQDZQNSA-N 2 0 307.438 0.482 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001265663886 949857863 /nfs/dbraw/zinc/85/78/63/949857863.db2.gz MVEQVGJZSYCOMP-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001265731407 949905678 /nfs/dbraw/zinc/90/56/78/949905678.db2.gz MKIIGULBVWLCAO-YMAMQOFZSA-N 2 0 322.453 0.400 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001265813431 949964126 /nfs/dbraw/zinc/96/41/26/949964126.db2.gz QVSLRHUMZBKVAT-IHRRRGAJSA-N 2 0 310.442 0.113 20 30 DCEDRP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001330362690 950307811 /nfs/dbraw/zinc/30/78/11/950307811.db2.gz GHHYLRZTZORNII-YHUYYLMFSA-N 2 0 307.438 0.435 20 30 DCEDRP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001266070385 950321816 /nfs/dbraw/zinc/32/18/16/950321816.db2.gz BKHRJSWRFCJBRR-HUUCEWRRSA-N 2 0 307.438 0.747 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001280152950 950779126 /nfs/dbraw/zinc/77/91/26/950779126.db2.gz OTUBYXUUEASMSA-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)Cn2cncc2C)C1 ZINC001490551357 950854412 /nfs/dbraw/zinc/85/44/12/950854412.db2.gz SGKQBRVPGOJNHB-KGLIPLIRSA-N 2 0 319.409 0.073 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001331156320 950973408 /nfs/dbraw/zinc/97/34/08/950973408.db2.gz VSHPQPRMRPJCKV-GXTWGEPZSA-N 2 0 308.426 0.139 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001331297451 951064390 /nfs/dbraw/zinc/06/43/90/951064390.db2.gz RREGGWKJEBIRLK-IAGOWNOFSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001490777999 951100562 /nfs/dbraw/zinc/10/05/62/951100562.db2.gz USOUBCPONUOITB-DLBZAZTESA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCC)CC1(C)C ZINC001332437236 951644643 /nfs/dbraw/zinc/64/46/43/951644643.db2.gz LKPIFNQLMWRGFB-AWEZNQCLSA-N 2 0 324.469 0.457 20 30 DCEDRP C=C[C@](C)(O)C[N@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274614349 951740019 /nfs/dbraw/zinc/74/00/19/951740019.db2.gz FLVAPXNWGZIKTR-IRXDYDNUSA-N 2 0 323.437 0.326 20 30 DCEDRP CN1CC[NH+](CCCCNC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC001332928799 951855014 /nfs/dbraw/zinc/85/50/14/951855014.db2.gz MVHFWFRGZNVKPQ-OAHLLOKOSA-N 2 0 309.458 0.541 20 30 DCEDRP C#CCC[NH2+]CCOCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001333234162 951967665 /nfs/dbraw/zinc/96/76/65/951967665.db2.gz YCAKZWOTQQMQDW-UHFFFAOYSA-N 2 0 307.438 0.703 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001336894216 952780904 /nfs/dbraw/zinc/78/09/04/952780904.db2.gz MNJXLHFQKPOAND-NEPJUHHUSA-N 2 0 320.359 0.863 20 30 DCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001341697699 953245602 /nfs/dbraw/zinc/24/56/02/953245602.db2.gz UURTYIDFZRWBDL-HNNXBMFYSA-N 2 0 324.469 0.683 20 30 DCEDRP C=CC[C@]1(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CCC[NH2+]1 ZINC001342697257 953303039 /nfs/dbraw/zinc/30/30/39/953303039.db2.gz ZKWRYEYFVWCMJV-ZMSDIMECSA-N 2 0 307.438 0.742 20 30 DCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001281808805 953370895 /nfs/dbraw/zinc/37/08/95/953370895.db2.gz RSIWXIYCUVKHMB-INIZCTEOSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001281816626 953375669 /nfs/dbraw/zinc/37/56/69/953375669.db2.gz JGCQQBMAPFLZAC-OAHLLOKOSA-N 2 0 309.454 0.683 20 30 DCEDRP C#CCNC(=O)C[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001282675365 953646373 /nfs/dbraw/zinc/64/63/73/953646373.db2.gz KYPPFQUMGMDFLR-HNNXBMFYSA-N 2 0 322.453 0.048 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001283111574 954019460 /nfs/dbraw/zinc/01/94/60/954019460.db2.gz ROHKSGQYFPTUIM-QBPKDAKJSA-N 2 0 321.465 0.993 20 30 DCEDRP C=CC1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC001348217368 954232934 /nfs/dbraw/zinc/23/29/34/954232934.db2.gz BNFFHBRJAAJZBQ-UHFFFAOYSA-N 2 0 324.469 0.363 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001284313082 955005183 /nfs/dbraw/zinc/00/51/83/955005183.db2.gz NMIKDPINFVCPPP-HUUCEWRRSA-N 2 0 307.438 0.557 20 30 DCEDRP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001284492766 955127294 /nfs/dbraw/zinc/12/72/94/955127294.db2.gz MJPMLVUTNMCCCA-CVEARBPZSA-N 2 0 309.454 0.655 20 30 DCEDRP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1cncn1C ZINC001284517156 955151411 /nfs/dbraw/zinc/15/14/11/955151411.db2.gz SDCBVDUEZKUDPU-OAHLLOKOSA-N 2 0 306.410 0.127 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491883164 959350348 /nfs/dbraw/zinc/35/03/48/959350348.db2.gz SXTNJTHJDPWHAP-CVEARBPZSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[N@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001316824407 960394972 /nfs/dbraw/zinc/39/49/72/960394972.db2.gz RACINLOEJXIITD-MRXNPFEDSA-N 2 0 307.438 0.416 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001379791696 962042228 /nfs/dbraw/zinc/04/22/28/962042228.db2.gz NNZKVLGHEUHFET-ZIAGYGMSSA-N 2 0 315.845 0.490 20 30 DCEDRP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1C#N)[NH+](C)C ZINC001392424673 991912729 /nfs/dbraw/zinc/91/27/29/991912729.db2.gz UNEQOFGFNWGGHE-JKSUJKDBSA-N 2 0 318.421 0.465 20 30 DCEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001507079008 1015961551 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C=CCC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923377846 667520448 /nfs/dbraw/zinc/52/04/48/667520448.db2.gz PZJHCGXXLGYGEW-JYJNAYRXSA-N 2 0 322.453 0.534 20 30 DCEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923377844 667520806 /nfs/dbraw/zinc/52/08/06/667520806.db2.gz PZJHCGXXLGYGEW-ARFHVFGLSA-N 2 0 322.453 0.534 20 30 DCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1C[C@@H]3CCC[C@]3(C[NH3+])C1)C2 ZINC000884382345 667535171 /nfs/dbraw/zinc/53/51/71/667535171.db2.gz HLYVEJPHHUNLEV-CZCUKBCQSA-N 2 0 302.422 0.713 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1C[C@@H]3CCC[C@]3(C[NH3+])C1)C2 ZINC000884382346 667535251 /nfs/dbraw/zinc/53/52/51/667535251.db2.gz HLYVEJPHHUNLEV-SJUKIULCSA-N 2 0 302.422 0.713 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923454169 667537062 /nfs/dbraw/zinc/53/70/62/667537062.db2.gz OUXJUBASBDKCKR-STQMWFEESA-N 2 0 324.425 0.217 20 30 DCEDRP C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017813 667698631 /nfs/dbraw/zinc/69/86/31/667698631.db2.gz SBKQWTYGBJQZSN-FPCVCCKLSA-N 2 0 309.454 0.775 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926153186 668379722 /nfs/dbraw/zinc/37/97/22/668379722.db2.gz MROBEAYWCTYFLZ-KCYZZUKISA-N 2 0 309.454 0.700 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@H](C[NH+](C)C)OCC)CC1 ZINC000926849076 668435922 /nfs/dbraw/zinc/43/59/22/668435922.db2.gz GNEKNDVZUNMUQC-OAHLLOKOSA-N 2 0 310.442 0.350 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000876712749 668492841 /nfs/dbraw/zinc/49/28/41/668492841.db2.gz JIJZOKFJOBAYFF-CHWSQXEVSA-N 2 0 303.834 0.929 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCN1CC[NH+](CC)CC1 ZINC000876780076 668509752 /nfs/dbraw/zinc/50/97/52/668509752.db2.gz CJYPDSILZPVKMW-ZDUSSCGKSA-N 2 0 302.850 0.600 20 30 DCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000876865874 668523627 /nfs/dbraw/zinc/52/36/27/668523627.db2.gz JLCSIONPVNPSRG-KBPBESRZSA-N 2 0 320.343 0.858 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877144556 668567423 /nfs/dbraw/zinc/56/74/23/668567423.db2.gz PJCKQABMOSCKTR-MGPQQGTHSA-N 3 0 316.877 0.654 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)C[N@H+]1CCC[C@H]1C)CCO2 ZINC000949189562 670283542 /nfs/dbraw/zinc/28/35/42/670283542.db2.gz ZDBYEJYELOZHDA-MRXNPFEDSA-N 2 0 319.449 0.797 20 30 DCEDRP COC1CC[NH+](C(C)(C)CNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852866032 671178980 /nfs/dbraw/zinc/17/89/80/671178980.db2.gz BWZTVDRNKQUWML-UHFFFAOYSA-N 2 0 321.465 0.995 20 30 DCEDRP CCN1CC[NH+](C[C@H](C)CNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852872704 671181582 /nfs/dbraw/zinc/18/15/82/671181582.db2.gz KJEAQBGHDNINIS-MRXNPFEDSA-N 2 0 320.481 0.379 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCCCCC[NH3+])CC1 ZINC000843260917 672076298 /nfs/dbraw/zinc/07/62/98/672076298.db2.gz ZEXCRBADXXIDKZ-UHFFFAOYSA-N 2 0 324.469 0.778 20 30 DCEDRP C#CC[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000843269470 672077653 /nfs/dbraw/zinc/07/76/53/672077653.db2.gz NOHZTBBTHHCEAK-CABCVRRESA-N 2 0 305.422 0.801 20 30 DCEDRP C[NH+]=C(NCCC1CC[NH+](C)CC1)NCCN1CCOCC1 ZINC000303864548 685206770 /nfs/dbraw/zinc/20/67/70/685206770.db2.gz BAKBWKGLTIOZCX-UHFFFAOYSA-N 2 0 311.474 0.216 20 30 DCEDRP CC(C)[C@H](CNC(=[NH2+])N1CCSCC1)N1CC[NH+](C)CC1 ZINC000303793249 685207437 /nfs/dbraw/zinc/20/74/37/685207437.db2.gz ZFEFQSSROHHFJW-AWEZNQCLSA-N 2 0 313.515 0.622 20 30 DCEDRP C=CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958171746 687403335 /nfs/dbraw/zinc/40/33/35/687403335.db2.gz LERXYJFRGLJBBL-GJZGRUSLSA-N 2 0 307.438 0.457 20 30 DCEDRP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958590972 687779346 /nfs/dbraw/zinc/77/93/46/687779346.db2.gz DIQCANDZFZJGNR-HUUCEWRRSA-N 2 0 307.438 0.457 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O)CC1 ZINC000958724798 687877899 /nfs/dbraw/zinc/87/78/99/687877899.db2.gz STJVNLSQPMSUOF-SJORKVTESA-N 2 0 319.449 0.151 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC3CC3)C[C@H]2O)CC1 ZINC000958724796 687877996 /nfs/dbraw/zinc/87/79/96/687877996.db2.gz STJVNLSQPMSUOF-IAGOWNOFSA-N 2 0 319.449 0.151 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=C)C)C[C@H]32)CC1 ZINC000962784771 688979387 /nfs/dbraw/zinc/97/93/87/688979387.db2.gz ZHLFUMOZUZCXCH-FVQHAEBGSA-N 2 0 301.434 0.954 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCO)CC[C@@H]2C)CC1 ZINC000968682777 690365456 /nfs/dbraw/zinc/36/54/56/690365456.db2.gz UJUMHRQRBWSGRZ-GOEBONIOSA-N 2 0 307.438 0.151 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007987492 690784301 /nfs/dbraw/zinc/78/43/01/690784301.db2.gz CDAAHWDCUVJOIH-NDUQDZPOSA-N 2 0 317.433 0.454 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC23CC[NH+](CC#C)CC3)CC1 ZINC001016986420 692821083 /nfs/dbraw/zinc/82/10/83/692821083.db2.gz QRDXGYSZGRXRDS-KRWDZBQOSA-N 2 0 313.445 0.936 20 30 DCEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC001072914111 694683346 /nfs/dbraw/zinc/68/33/46/694683346.db2.gz VBLKVXDTVLOJQW-MRXNPFEDSA-N 2 0 319.449 0.653 20 30 DCEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070732 694997009 /nfs/dbraw/zinc/99/70/09/694997009.db2.gz YXRYNLGZQXEOND-SYGRHNPNSA-N 2 0 317.433 0.568 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001570530670 1162537743 /nfs/dbraw/zinc/53/77/43/1162537743.db2.gz OQXBMXYCVXDQNQ-IXDOHACOSA-N 2 0 321.465 0.899 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001571405945 1162734805 /nfs/dbraw/zinc/73/48/05/1162734805.db2.gz QZRJDPPSTWMGSQ-AWEZNQCLSA-N 2 0 324.469 0.150 20 30 DCEDRP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001571609178 1162860045 /nfs/dbraw/zinc/86/00/45/1162860045.db2.gz YACGOHUAAKBXLA-IAGOWNOFSA-N 2 0 323.481 0.881 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001691096102 1157580065 /nfs/dbraw/zinc/58/00/65/1157580065.db2.gz VAYHGJYKSVEYDV-LVQVYYBASA-N 2 0 307.438 0.461 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001691153625 1157599519 /nfs/dbraw/zinc/59/95/19/1157599519.db2.gz AYHSDWPVDYQBQZ-CQSZACIVSA-N 2 0 322.453 0.069 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001755083571 1157915892 /nfs/dbraw/zinc/91/58/92/1157915892.db2.gz UFMJGAGCZGBNRK-HOCLYGCPSA-N 2 0 313.417 0.243 20 30 DCEDRP COCC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001755498135 1158151384 /nfs/dbraw/zinc/15/13/84/1158151384.db2.gz GHAVXFJIOQGVND-ARFHVFGLSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001752812855 1158249288 /nfs/dbraw/zinc/24/92/88/1158249288.db2.gz RQLOWHVBRSYCKE-HOTGVXAUSA-N 2 0 309.454 0.969 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001447277679 1159609021 /nfs/dbraw/zinc/60/90/21/1159609021.db2.gz HJXFUYHOBVREDK-CYBMUJFWSA-N 2 0 303.834 0.898 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCCCN(C)Cc1ccon1 ZINC001566461632 1159992704 /nfs/dbraw/zinc/99/27/04/1159992704.db2.gz GSROJSQFFNKHOH-HNNXBMFYSA-N 2 0 304.394 0.710 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001566902958 1160181373 /nfs/dbraw/zinc/18/13/73/1160181373.db2.gz DYOPEZGGZWPLMH-HUUCEWRRSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)C[C@@H]2CCOC2)CC1 ZINC001567353820 1160322670 /nfs/dbraw/zinc/32/26/70/1160322670.db2.gz GZKQTSDTAYFRQK-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001567735976 1160469369 /nfs/dbraw/zinc/46/93/69/1160469369.db2.gz HWDORIDRKHEOFU-MRXNPFEDSA-N 2 0 321.465 0.758 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001568450982 1160649105 /nfs/dbraw/zinc/64/91/05/1160649105.db2.gz GQBUFPWNBOWFGL-RBSFLKMASA-N 2 0 324.469 0.359 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC#CCOC)CC2)CC[N@@H+]1C ZINC001569401051 1161046478 /nfs/dbraw/zinc/04/64/78/1161046478.db2.gz CYHSODNKVNYULG-LSDHHAIUSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001569424173 1161055574 /nfs/dbraw/zinc/05/55/74/1161055574.db2.gz SXGOQOPRKXLDQV-UHFFFAOYSA-N 2 0 322.453 0.259 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001569560948 1161149883 /nfs/dbraw/zinc/14/98/83/1161149883.db2.gz LLJNOYLQBACCQW-HOTGVXAUSA-N 2 0 307.438 0.559 20 30 DCEDRP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+](CC#CCOC)CC1 ZINC001569577264 1161154425 /nfs/dbraw/zinc/15/44/25/1161154425.db2.gz KTCRAJHUOKLHPH-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001569752960 1161224509 /nfs/dbraw/zinc/22/45/09/1161224509.db2.gz RLPKUFQFJHOFPB-RDJZCZTQSA-N 2 0 307.438 0.293 20 30 DCEDRP C=CCC[C@H](C)[NH+]1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001569786771 1161247867 /nfs/dbraw/zinc/24/78/67/1161247867.db2.gz QEWILCNRMWRZNO-AWEZNQCLSA-N 2 0 307.438 0.600 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@@H](C[NH2+]CCO)C2)CC1 ZINC001569856266 1161286445 /nfs/dbraw/zinc/28/64/45/1161286445.db2.gz RZUIEAYMPJGEHV-HOCLYGCPSA-N 2 0 307.438 0.008 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001570285835 1161543912 /nfs/dbraw/zinc/54/39/12/1161543912.db2.gz OFMRSYNDGQRKDY-SJLPKXTDSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001570290586 1161545769 /nfs/dbraw/zinc/54/57/69/1161545769.db2.gz ALMCWJPLWFDTOW-SFHVURJKSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CCN(C)c1nnc([C@H]2CCC[NH2+]C2)n1C[C@H](C)[NH+](C)C ZINC001574604444 1163735121 /nfs/dbraw/zinc/73/51/21/1163735121.db2.gz PYUSAFMCZVVHGO-KBPBESRZSA-N 2 0 304.442 0.765 20 30 DCEDRP C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001574830292 1163762569 /nfs/dbraw/zinc/76/25/69/1163762569.db2.gz DVCFLRKCBSVGQR-ZBFHGGJFSA-N 2 0 319.453 0.936 20 30 DCEDRP C[C@H](CCC#N)[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001575941247 1164190270 /nfs/dbraw/zinc/19/02/70/1164190270.db2.gz MMRBDOQXOZKZJY-SNPRPXQTSA-N 2 0 305.426 0.899 20 30 DCEDRP C[NH+](C)C[C@]1(O)CCCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC001578412349 1165004743 /nfs/dbraw/zinc/00/47/43/1165004743.db2.gz LTGQENIYTXOYGL-UMAGBFNSSA-N 2 0 320.437 0.041 20 30 DCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC([NH2+]C3CCOCC3)C1)C2 ZINC001580042048 1165483355 /nfs/dbraw/zinc/48/33/55/1165483355.db2.gz MFOQPTFHGDBQFJ-JZLYGMAVSA-N 2 0 318.421 0.105 20 30 DCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1Cc3ccccc3C[NH2+]1)C2 ZINC001649976512 1173354240 /nfs/dbraw/zinc/35/42/40/1173354240.db2.gz IRHXDSRUVIXPJT-DHADLLTHSA-N 2 0 324.428 0.956 20 30 DCEDRP C=C(C)C[N@H+](CCO)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001656784004 1173886093 /nfs/dbraw/zinc/88/60/93/1173886093.db2.gz IGRJVINJHODXGQ-INIZCTEOSA-N 2 0 321.465 0.944 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001662681088 1174231635 /nfs/dbraw/zinc/23/16/35/1174231635.db2.gz YAHZJOSFBLBHII-HUUCEWRRSA-N 2 0 322.453 0.163 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001664946622 1174470853 /nfs/dbraw/zinc/47/08/53/1174470853.db2.gz DYQASEQRDLMDFV-ILXRZTDVSA-N 2 0 322.453 0.045 20 30 DCEDRP C#CCNC(=O)[C@@H](C)N1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001665030057 1174474062 /nfs/dbraw/zinc/47/40/62/1174474062.db2.gz RVKXBAHYACPXOT-HUUCEWRRSA-N 2 0 322.453 0.045 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCCOC)C2)CC1 ZINC001671694716 1175030567 /nfs/dbraw/zinc/03/05/67/1175030567.db2.gz WKJBWAIMLUJFFZ-SFHVURJKSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCOCC1 ZINC001671957690 1175047959 /nfs/dbraw/zinc/04/79/59/1175047959.db2.gz NCBUCBFRIDAZSA-HUUCEWRRSA-N 2 0 307.438 0.747 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@@H+](CCC)C2)CC1 ZINC001672044000 1175070692 /nfs/dbraw/zinc/07/06/92/1175070692.db2.gz FJHHCQSYABMJLE-QGZVFWFLSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CCC1 ZINC001673238045 1175179568 /nfs/dbraw/zinc/17/95/68/1175179568.db2.gz KPHMTQJSXMTIHO-HNNXBMFYSA-N 2 0 307.438 0.607 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001673671875 1175222257 /nfs/dbraw/zinc/22/22/57/1175222257.db2.gz QGPPYRCTICKVHM-AEFFLSMTSA-N 2 0 321.465 0.826 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001674687354 1175291383 /nfs/dbraw/zinc/29/13/83/1175291383.db2.gz PCNMIVPECKQWQA-CVEARBPZSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCC[NH2+]CCOCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001677488575 1175569056 /nfs/dbraw/zinc/56/90/56/1175569056.db2.gz NJTVCHRGKCTJAY-INIZCTEOSA-N 2 0 307.438 0.416 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001684871233 1176005333 /nfs/dbraw/zinc/00/53/33/1176005333.db2.gz CTWZQGHEWYULRJ-INIZCTEOSA-N 2 0 322.453 0.494 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H](C)OC)C2)CC1 ZINC001688918537 1176655863 /nfs/dbraw/zinc/65/58/63/1176655863.db2.gz JNNZGSYDUKRLKJ-YQQAZPJKSA-N 2 0 321.465 0.851 20 30 DCEDRP C#CCC[NH+]1CCN(CCCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001690064291 1177157830 /nfs/dbraw/zinc/15/78/30/1177157830.db2.gz HIUZJKKTGSPCTM-UHFFFAOYSA-N 2 0 320.481 0.475 20 30 DCEDRP C=CCC[NH+]1CCN(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001690073093 1177162652 /nfs/dbraw/zinc/16/26/52/1177162652.db2.gz FTNCIAIRKWEMFV-QGZVFWFLSA-N 2 0 320.481 0.638 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001690634271 1177288285 /nfs/dbraw/zinc/28/82/85/1177288285.db2.gz UVXXTDYGZXOMFK-CQSZACIVSA-N 2 0 310.442 0.115 20 30 DCEDRP CC[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC#CCOC ZINC001698615008 1177585321 /nfs/dbraw/zinc/58/53/21/1177585321.db2.gz PNWBKPXHMMZEBC-INIZCTEOSA-N 2 0 309.454 0.853 20 30 DCEDRP COCC#CC[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001698634697 1177595152 /nfs/dbraw/zinc/59/51/52/1177595152.db2.gz RVBUQLMFEFRXMV-UHFFFAOYSA-N 2 0 321.465 0.997 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCC1 ZINC001698801227 1177666237 /nfs/dbraw/zinc/66/62/37/1177666237.db2.gz JMLVTZDOQZKQSZ-AWEZNQCLSA-N 2 0 322.453 0.095 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001699738043 1178271006 /nfs/dbraw/zinc/27/10/06/1178271006.db2.gz JRYHHMDHBVDHLS-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001699852146 1178317520 /nfs/dbraw/zinc/31/75/20/1178317520.db2.gz SZCOPSNCMRDBPY-GOSISDBHSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCOCC1 ZINC001699885190 1178330962 /nfs/dbraw/zinc/33/09/62/1178330962.db2.gz WTGKLWKWICCFEY-UHFFFAOYSA-N 2 0 307.438 0.607 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001699954810 1178395750 /nfs/dbraw/zinc/39/57/50/1178395750.db2.gz XWOAOXXAWNFIPK-LSDHHAIUSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001700006990 1178427548 /nfs/dbraw/zinc/42/75/48/1178427548.db2.gz IAKHQWLBHWYHSY-NVXWUHKLSA-N 2 0 307.438 0.295 20 30 DCEDRP CC#CC[NH+](C)CCOCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001700701580 1178712054 /nfs/dbraw/zinc/71/20/54/1178712054.db2.gz WDFWGAPDAAFZET-JKSUJKDBSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001700939714 1178817031 /nfs/dbraw/zinc/81/70/31/1178817031.db2.gz SSORGYHFQFGUAH-JKSUJKDBSA-N 2 0 309.454 0.988 20 30 DCEDRP COCC#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001701022820 1178881041 /nfs/dbraw/zinc/88/10/41/1178881041.db2.gz IWYFPOPQQIXLMQ-JUVOFCAFSA-N 2 0 321.465 0.946 20 30 DCEDRP C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001701037168 1178891794 /nfs/dbraw/zinc/89/17/94/1178891794.db2.gz CBMQJBHHHQFYEA-CQSZACIVSA-N 2 0 304.394 0.143 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001713076892 1180668886 /nfs/dbraw/zinc/66/88/86/1180668886.db2.gz IZWFDXVLGDNGTO-UHFFFAOYSA-N 2 0 320.481 0.620 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001713667186 1181008971 /nfs/dbraw/zinc/00/89/71/1181008971.db2.gz BRPLOTSXZJEDQL-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001713989207 1181186273 /nfs/dbraw/zinc/18/62/73/1181186273.db2.gz QMPBGAKMVAPZFB-QLFBSQMISA-N 2 0 322.453 0.400 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001714631683 1181452406 /nfs/dbraw/zinc/45/24/06/1181452406.db2.gz HSPYQBAXUHDSJP-QLFBSQMISA-N 2 0 322.453 0.067 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001715413824 1181806515 /nfs/dbraw/zinc/80/65/15/1181806515.db2.gz MWEHKIYVMJHZHO-HZPDHXFCSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001715493944 1181829472 /nfs/dbraw/zinc/82/94/72/1181829472.db2.gz LMAVHGKBFRPCON-OAGGEKHMSA-N 2 0 309.454 0.707 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001716549101 1182437514 /nfs/dbraw/zinc/43/75/14/1182437514.db2.gz OEKTZSHRRDCNOW-HUUCEWRRSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCCC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001716919734 1182574914 /nfs/dbraw/zinc/57/49/14/1182574914.db2.gz HGRSULTUAAVPOS-QGZVFWFLSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001716964069 1182604822 /nfs/dbraw/zinc/60/48/22/1182604822.db2.gz VXNWQKXUUZGBAJ-JKSUJKDBSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001716975751 1182607828 /nfs/dbraw/zinc/60/78/28/1182607828.db2.gz RMZWALVFRDZIMV-NVXWUHKLSA-N 2 0 301.434 0.791 20 30 DCEDRP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001717259753 1182753719 /nfs/dbraw/zinc/75/37/19/1182753719.db2.gz IXTLUGPJSUIEIL-QGZVFWFLSA-N 2 0 307.438 0.601 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCOCC1 ZINC001717267688 1182758426 /nfs/dbraw/zinc/75/84/26/1182758426.db2.gz XGDYROUXDLTDJL-CVEARBPZSA-N 2 0 319.449 0.892 20 30 DCEDRP C=CCCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001717313857 1182776636 /nfs/dbraw/zinc/77/66/36/1182776636.db2.gz HYLCYSDEBNVUKL-QGZVFWFLSA-N 2 0 320.481 0.875 20 30 DCEDRP C=C(C)CC[NH2+]CC1(O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001717324960 1182782223 /nfs/dbraw/zinc/78/22/23/1182782223.db2.gz IETBXVSEBPNHLZ-UHFFFAOYSA-N 2 0 309.454 0.992 20 30 DCEDRP CC#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001718008164 1183105266 /nfs/dbraw/zinc/10/52/66/1183105266.db2.gz XLOWFXDPTWWIQM-JKSUJKDBSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCC[NH2+]CCOCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001718011026 1183106237 /nfs/dbraw/zinc/10/62/37/1183106237.db2.gz VHQXJXXQVUVIEE-HOTGVXAUSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CC[N@H+]1CC[C@](O)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001724430633 1184441292 /nfs/dbraw/zinc/44/12/92/1184441292.db2.gz QDNOKWXCACIEEV-KRWDZBQOSA-N 2 0 309.454 0.992 20 30 DCEDRP C=CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001724641943 1184492538 /nfs/dbraw/zinc/49/25/38/1184492538.db2.gz QGEDUCLDQWXZTE-ZOBUZTSGSA-N 2 0 309.454 0.846 20 30 DCEDRP C=C(Cl)C[NH2+]CCN(CCO)C(=O)CC1CC[NH+](C)CC1 ZINC001724681744 1184517879 /nfs/dbraw/zinc/51/78/79/1184517879.db2.gz LWKVNRUCGXAQLC-UHFFFAOYSA-N 2 0 317.861 0.881 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001724841976 1184588094 /nfs/dbraw/zinc/58/80/94/1184588094.db2.gz GLHKEWAMTOOJSY-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001725577406 1184894631 /nfs/dbraw/zinc/89/46/31/1184894631.db2.gz ZZYWXNMHUPTIKN-UONOGXRCSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCOCC)[C@H]2C)CC1 ZINC001725608410 1184911298 /nfs/dbraw/zinc/91/12/98/1184911298.db2.gz RZNQTERDUAJFEV-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001725764968 1184985934 /nfs/dbraw/zinc/98/59/34/1184985934.db2.gz CULPEQAHALQJAP-JKSUJKDBSA-N 2 0 309.454 0.539 20 30 DCEDRP CC[C@H](C(=O)NCC1=CC[N@H+](CC#CCOC)CC1)[NH+](C)C ZINC001725826526 1185020510 /nfs/dbraw/zinc/02/05/10/1185020510.db2.gz YTNJHTUWYIBTPM-MRXNPFEDSA-N 2 0 307.438 0.725 20 30 DCEDRP COCC#CC[N@H+](C)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001753070013 1185162442 /nfs/dbraw/zinc/16/24/42/1185162442.db2.gz SEBODLOYDNFSCI-UHFFFAOYSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001731342036 1185279799 /nfs/dbraw/zinc/27/97/99/1185279799.db2.gz FBIOWYPICMWXPW-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(N(C)C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC001731362180 1185293778 /nfs/dbraw/zinc/29/37/78/1185293778.db2.gz HDXRITLAXLBBBY-UHFFFAOYSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]C[C@@H](C)O)CC1 ZINC001731550388 1185384979 /nfs/dbraw/zinc/38/49/79/1185384979.db2.gz POPUXQPFFFIBTC-WBVHZDCISA-N 2 0 321.465 0.683 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001731700195 1185448685 /nfs/dbraw/zinc/44/86/85/1185448685.db2.gz QICXEQVPZREEKC-GJZGRUSLSA-N 2 0 322.453 0.095 20 30 DCEDRP CC[N@@H+](CC#CCOC)CCNC(=O)C[C@H](C)n1ccnc1 ZINC001731813691 1185500558 /nfs/dbraw/zinc/50/05/58/1185500558.db2.gz VGSUIQYYOCZNBF-HNNXBMFYSA-N 2 0 306.410 0.922 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001732175694 1185720872 /nfs/dbraw/zinc/72/08/72/1185720872.db2.gz KXSVUWBXZABZSC-CVEARBPZSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@H]2C[NH2+]CCO)CC1 ZINC001732545652 1185847086 /nfs/dbraw/zinc/84/70/86/1185847086.db2.gz UHQOKBBAWBIJGI-NVXWUHKLSA-N 2 0 321.465 0.541 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001732975267 1186088065 /nfs/dbraw/zinc/08/80/65/1186088065.db2.gz XIBFCYWCNUYCIT-HUUCEWRRSA-N 2 0 324.469 0.647 20 30 DCEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(NCC#N)CC1 ZINC001733578492 1186340716 /nfs/dbraw/zinc/34/07/16/1186340716.db2.gz FCCPHLAIALLZDZ-INIZCTEOSA-N 2 0 321.469 0.553 20 30 DCEDRP C=C(C)CC[N@@H+]1CCC[C@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001733594249 1186353375 /nfs/dbraw/zinc/35/33/75/1186353375.db2.gz WKATTWSWWDPNER-SFHVURJKSA-N 2 0 321.465 0.992 20 30 DCEDRP C#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC001733764628 1186437341 /nfs/dbraw/zinc/43/73/41/1186437341.db2.gz KLYWIVMVIIBSSS-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001733820775 1186461206 /nfs/dbraw/zinc/46/12/06/1186461206.db2.gz DJOAMXCCZVCWFV-HOCLYGCPSA-N 2 0 315.433 0.795 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001733824287 1186463290 /nfs/dbraw/zinc/46/32/90/1186463290.db2.gz FHRNPGGSUSJFBK-KRWDZBQOSA-N 2 0 307.438 0.295 20 30 DCEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001734178353 1186570263 /nfs/dbraw/zinc/57/02/63/1186570263.db2.gz DESLCOMYIJIMOW-IRXDYDNUSA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[NH2+][C@H](CO)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001734374238 1186631245 /nfs/dbraw/zinc/63/12/45/1186631245.db2.gz ABPBVNZOXQQRKE-KRWDZBQOSA-N 2 0 317.433 0.494 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001734512043 1186669050 /nfs/dbraw/zinc/66/90/50/1186669050.db2.gz VEJVWYLUDWJCDG-VXGBXAGGSA-N 2 0 305.344 0.798 20 30 DCEDRP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001734545086 1186686919 /nfs/dbraw/zinc/68/69/19/1186686919.db2.gz QTXZNXFXZATPBF-JKSUJKDBSA-N 2 0 309.454 0.635 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@@H](CC)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001753495819 1188609812 /nfs/dbraw/zinc/60/98/12/1188609812.db2.gz YRODCJYRPMGYSJ-GJZGRUSLSA-N 2 0 322.453 0.354 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC#CCOC ZINC001754024927 1188714098 /nfs/dbraw/zinc/71/40/98/1188714098.db2.gz ADZQUEYCAJOLIE-CVEARBPZSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001754488082 1188865215 /nfs/dbraw/zinc/86/52/15/1188865215.db2.gz WIGRRXQXQKKQIQ-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001754609663 1188889388 /nfs/dbraw/zinc/88/93/88/1188889388.db2.gz JTPXZVHBLBRJFA-DLBZAZTESA-N 2 0 319.449 0.559 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC001755004021 1188992922 /nfs/dbraw/zinc/99/29/22/1188992922.db2.gz YTUOCEOSZUDPJB-OAHLLOKOSA-N 2 0 305.422 0.313 20 30 DCEDRP CC#CC[NH+]1CCC(CO)(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001755179447 1189048771 /nfs/dbraw/zinc/04/87/71/1189048771.db2.gz BZEOEDZRZYBFJI-UHFFFAOYSA-N 2 0 307.438 0.295 20 30 DCEDRP CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001755458857 1189118321 /nfs/dbraw/zinc/11/83/21/1189118321.db2.gz DVWTUYXUKLWXMW-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001755643368 1189172429 /nfs/dbraw/zinc/17/24/29/1189172429.db2.gz JZZKCBRVAATMKN-MRXNPFEDSA-N 2 0 307.438 0.198 20 30 DCEDRP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001755800370 1189221014 /nfs/dbraw/zinc/22/10/14/1189221014.db2.gz HLBJZKWETYALFZ-HOTGVXAUSA-N 2 0 307.438 0.103 20 30 DCEDRP C=CCN1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083781600 751782526 /nfs/dbraw/zinc/78/25/26/751782526.db2.gz OEPFWEHFELSBDG-WWGRRREGSA-N 2 0 313.417 0.546 20 30 DCEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001098534737 747044210 /nfs/dbraw/zinc/04/42/10/747044210.db2.gz CGDUCVYWQHGZEA-UHFFFAOYSA-N 2 0 305.422 0.001 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)Cc2cncn2C)C1 ZINC001100871281 748321611 /nfs/dbraw/zinc/32/16/11/748321611.db2.gz KRPXIPSHATZCEC-UHFFFAOYSA-N 2 0 304.394 0.097 20 30 DCEDRP C=CCC[NH2+]Cc1cn(C2CN(C(=O)CC[N@@H+](C)CC)C2)nn1 ZINC001105357927 748431010 /nfs/dbraw/zinc/43/10/10/748431010.db2.gz ODMNAHQNWJPHHD-UHFFFAOYSA-N 2 0 320.441 0.669 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001098514249 748434240 /nfs/dbraw/zinc/43/42/40/748434240.db2.gz MCNGPIBTNNHXOB-UHFFFAOYSA-N 2 0 304.394 0.261 20 30 DCEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+](C)CCC)C2)nn1 ZINC001105364938 748528041 /nfs/dbraw/zinc/52/80/41/748528041.db2.gz GBCJLHNMSGCIGD-UHFFFAOYSA-N 2 0 318.425 0.116 20 30 DCEDRP C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372383 748638067 /nfs/dbraw/zinc/63/80/67/748638067.db2.gz CLDFCCOFRJQGTJ-CYBMUJFWSA-N 2 0 318.425 0.279 20 30 DCEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(CC)CCO3)C[C@@H]2C1 ZINC001088208229 749290219 /nfs/dbraw/zinc/29/02/19/749290219.db2.gz REFQQHFFGLBYHE-OWCLPIDISA-N 2 0 305.422 0.121 20 30 DCEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518976 750087935 /nfs/dbraw/zinc/08/79/35/750087935.db2.gz YATFTGZAYSJMFJ-OAGGEKHMSA-N 2 0 309.454 0.702 20 30 DCEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518816 750088195 /nfs/dbraw/zinc/08/81/95/750088195.db2.gz RQLYFEHLCGZNTK-OAGGEKHMSA-N 2 0 309.454 0.702 20 30 DCEDRP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001077395802 750392019 /nfs/dbraw/zinc/39/20/19/750392019.db2.gz DBMYHKKRBMAGHO-HUUCEWRRSA-N 2 0 300.362 0.685 20 30 DCEDRP CC#CCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@@H](O)C1 ZINC001083719387 751032723 /nfs/dbraw/zinc/03/27/23/751032723.db2.gz BNBNZURSPGWGPO-XHSDSOJGSA-N 2 0 307.438 0.293 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001122536228 751089897 /nfs/dbraw/zinc/08/98/97/751089897.db2.gz VTCKULMTHRIHFD-CVEARBPZSA-N 2 0 305.422 0.047 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106665382 751221756 /nfs/dbraw/zinc/22/17/56/751221756.db2.gz UROPGJYZUARIBF-IXDOHACOSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001077777557 752520989 /nfs/dbraw/zinc/52/09/89/752520989.db2.gz QDXRNGKPJFTPQU-ARFHVFGLSA-N 2 0 309.454 0.988 20 30 DCEDRP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001078228616 753124113 /nfs/dbraw/zinc/12/41/13/753124113.db2.gz XVUGTAASPNWPGR-OWCLPIDISA-N 2 0 309.454 0.988 20 30 DCEDRP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001045685939 753294287 /nfs/dbraw/zinc/29/42/87/753294287.db2.gz LDNMPGAKXYYMLM-CVEARBPZSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CC[NH2+][C@@H]1C[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C12CCC2 ZINC001078818920 753392924 /nfs/dbraw/zinc/39/29/24/753392924.db2.gz FOMOKXFJSNBUAQ-SJORKVTESA-N 2 0 313.445 0.982 20 30 DCEDRP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001046035404 753439374 /nfs/dbraw/zinc/43/93/74/753439374.db2.gz LDMGQAQNYIFFKV-IRXDYDNUSA-N 2 0 320.481 0.731 20 30 DCEDRP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC001046040447 753443343 /nfs/dbraw/zinc/44/33/43/753443343.db2.gz ITUPHKKLMJBADC-SJORKVTESA-N 2 0 320.481 0.875 20 30 DCEDRP C=CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC001046064136 753457762 /nfs/dbraw/zinc/45/77/62/753457762.db2.gz GFDQAQDAEVALKR-SJORKVTESA-N 2 0 320.481 0.875 20 30 DCEDRP C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046501292 753753151 /nfs/dbraw/zinc/75/31/51/753753151.db2.gz MZKHXHWMCHEGET-OBKBAYEDSA-N 2 0 303.406 0.063 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+]([C@H](C)COC)C2)CC1 ZINC001046849057 753977271 /nfs/dbraw/zinc/97/72/71/753977271.db2.gz AHWJBKFRVZWERV-CRAIPNDOSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H](C)COC)C2)CC1 ZINC001046849060 753977529 /nfs/dbraw/zinc/97/75/29/753977529.db2.gz AHWJBKFRVZWERV-YJBOKZPZSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001047638122 754452891 /nfs/dbraw/zinc/45/28/91/754452891.db2.gz CLDJTDZAZVCOKB-JYJNAYRXSA-N 2 0 307.438 0.388 20 30 DCEDRP C=CCN1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129253174 754591908 /nfs/dbraw/zinc/59/19/08/754591908.db2.gz PQPVCIFLLJPNDE-QLFBSQMISA-N 2 0 320.441 0.392 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](O)C1 ZINC001090261822 754830796 /nfs/dbraw/zinc/83/07/96/754830796.db2.gz PGSPVWDKIVJHRJ-HZPDHXFCSA-N 2 0 321.465 0.826 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC#C)C2)CC1 ZINC001072099177 762356491 /nfs/dbraw/zinc/35/64/91/762356491.db2.gz NDVKZLCQTIKLHA-RDJZCZTQSA-N 2 0 301.434 0.934 20 30 DCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049136551 755142668 /nfs/dbraw/zinc/14/26/68/755142668.db2.gz XFDLBFGFNPEIOS-GASCZTMLSA-N 2 0 305.422 0.121 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](C[C@H](C)O)C[C@@H]3C2)CC1 ZINC001049235128 755197228 /nfs/dbraw/zinc/19/72/28/755197228.db2.gz LFZVLPAOBHABPI-BHYGNILZSA-N 2 0 319.449 0.103 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN(C)CCO1 ZINC001049391027 755247909 /nfs/dbraw/zinc/24/79/09/755247909.db2.gz FYTAXRHRAZNFDJ-XHSDSOJGSA-N 2 0 305.422 0.406 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](C[C@H](C)O)CC2)CC1 ZINC001052957030 755885754 /nfs/dbraw/zinc/88/57/54/755885754.db2.gz CJBFVOUOIGDHRA-DOTOQJQBSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080161278 756118032 /nfs/dbraw/zinc/11/80/32/756118032.db2.gz UUBAIYXOFKNNSW-MYPHYYIGSA-N 2 0 317.433 0.309 20 30 DCEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080593058 756249482 /nfs/dbraw/zinc/24/94/82/756249482.db2.gz HEVMVVTVXGJYAP-UKRRQHHQSA-N 2 0 305.426 0.681 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090392910 757376428 /nfs/dbraw/zinc/37/64/28/757376428.db2.gz XMPSZHVZZTZIKF-CABCVRRESA-N 2 0 305.422 0.190 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090392911 757377209 /nfs/dbraw/zinc/37/72/09/757377209.db2.gz XMPSZHVZZTZIKF-GJZGRUSLSA-N 2 0 305.422 0.190 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@H](C[NH2+]C(C)C)C2)CC1 ZINC001051943681 759052422 /nfs/dbraw/zinc/05/24/22/759052422.db2.gz NYVGDKKTPLZGGW-MRXNPFEDSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731618 759246060 /nfs/dbraw/zinc/24/60/60/759246060.db2.gz GKDUZQIKPKQICB-NDUQDZPOSA-N 2 0 317.433 0.406 20 30 DCEDRP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001085781852 759305176 /nfs/dbraw/zinc/30/51/76/759305176.db2.gz HALMPDDGENPJJF-HZPDHXFCSA-N 2 0 307.438 0.652 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CCCO)CC1 ZINC001085987202 759546179 /nfs/dbraw/zinc/54/61/79/759546179.db2.gz WTWZONGFWZNOPF-MRXNPFEDSA-N 2 0 307.438 0.247 20 30 DCEDRP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091676716 767914383 /nfs/dbraw/zinc/91/43/83/767914383.db2.gz DTOCOTWRAICAAH-NUJGCVRESA-N 2 0 301.434 0.742 20 30 DCEDRP C=CCOCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100084169 760189396 /nfs/dbraw/zinc/18/93/96/760189396.db2.gz YCIRPECFDXVVEG-GJZGRUSLSA-N 2 0 313.442 0.082 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001070719285 761412661 /nfs/dbraw/zinc/41/26/61/761412661.db2.gz XBLYSPFBHLYSND-HUUCEWRRSA-N 2 0 317.437 0.586 20 30 DCEDRP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001071085893 761615029 /nfs/dbraw/zinc/61/50/29/761615029.db2.gz DGWCIKXSKURPOQ-IKGGRYGDSA-N 2 0 321.465 0.946 20 30 DCEDRP CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@H](C)O2 ZINC001071241516 761732550 /nfs/dbraw/zinc/73/25/50/761732550.db2.gz WDYJTJICVBGIBR-WMZOPIPTSA-N 2 0 319.449 0.797 20 30 DCEDRP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001098841666 762739871 /nfs/dbraw/zinc/73/98/71/762739871.db2.gz MRGSVOJVASASAB-JZXOWHBKSA-N 2 0 301.434 0.932 20 30 DCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)COCC[NH+](C)C)C1 ZINC001099547531 762896426 /nfs/dbraw/zinc/89/64/26/762896426.db2.gz HEFUJMCHLYPXTR-QAETUUGQSA-N 2 0 319.449 0.367 20 30 DCEDRP C=CCCC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099874182 763092854 /nfs/dbraw/zinc/09/28/54/763092854.db2.gz HFAGOQRYVDDPMW-HUUCEWRRSA-N 2 0 309.454 0.988 20 30 DCEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131068171 763628261 /nfs/dbraw/zinc/62/82/61/763628261.db2.gz QIUFUXPIFHLUME-HUUCEWRRSA-N 2 0 319.453 0.832 20 30 DCEDRP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C1(C[NH+](C)C)CC1)C[C@H](C)O2 ZINC001131677845 763944767 /nfs/dbraw/zinc/94/47/67/763944767.db2.gz PTELQDDYHHQION-YJBOKZPZSA-N 2 0 319.449 0.653 20 30 DCEDRP C#CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H](C)O2 ZINC001131704113 763949650 /nfs/dbraw/zinc/94/96/50/763949650.db2.gz QPYVHDVZDWFZPZ-WBVHZDCISA-N 2 0 307.438 0.652 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051746 764510153 /nfs/dbraw/zinc/51/01/53/764510153.db2.gz KICKFWAVQKBMJJ-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102085875 764520378 /nfs/dbraw/zinc/52/03/78/764520378.db2.gz GCNDXVMFZKUFMB-HZPDHXFCSA-N 2 0 321.465 0.662 20 30 DCEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001134398473 765505354 /nfs/dbraw/zinc/50/53/54/765505354.db2.gz BJVKMIAVZYNUEA-ZIAGYGMSSA-N 2 0 305.426 0.564 20 30 DCEDRP COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134613095 765590199 /nfs/dbraw/zinc/59/01/99/765590199.db2.gz SDAGUAJJMXNRSQ-CABCVRRESA-N 2 0 309.454 0.993 20 30 DCEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001115245183 765659979 /nfs/dbraw/zinc/65/99/79/765659979.db2.gz MVEBDANSBDJWLV-MWDXBVQZSA-N 2 0 321.465 0.967 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[NH+]2CCC(C)CC2)C1=O ZINC001135688564 766050209 /nfs/dbraw/zinc/05/02/09/766050209.db2.gz WFMKNKIYBBAHIW-OAHLLOKOSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001092614732 768359557 /nfs/dbraw/zinc/35/95/57/768359557.db2.gz RMWZFNOBMJDZJS-HUUCEWRRSA-N 2 0 317.437 0.376 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](O)C1 ZINC001090673621 766457669 /nfs/dbraw/zinc/45/76/69/766457669.db2.gz LQJMFNGSQPMONF-HZPDHXFCSA-N 2 0 309.454 0.846 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171160887 766865597 /nfs/dbraw/zinc/86/55/97/766865597.db2.gz JVDHPEIDLBDGOH-HZPDHXFCSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001120537287 767068050 /nfs/dbraw/zinc/06/80/50/767068050.db2.gz XLVSFBSPPOVJRR-OAHLLOKOSA-N 2 0 322.453 0.399 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC001093224481 768501666 /nfs/dbraw/zinc/50/16/66/768501666.db2.gz YPEDZHWBLXAZCE-BFYDXBDKSA-N 2 0 321.465 0.397 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150596039 769134101 /nfs/dbraw/zinc/13/41/01/769134101.db2.gz HBTFNDMABVGLPC-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001151307638 769309221 /nfs/dbraw/zinc/30/92/21/769309221.db2.gz BPDCYKZLZQIQEU-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001151408855 769332825 /nfs/dbraw/zinc/33/28/25/769332825.db2.gz PRXNDJKNQLKIEO-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152237311 769512490 /nfs/dbraw/zinc/51/24/90/769512490.db2.gz MKJKHSSBLNCTGD-CQSZACIVSA-N 2 0 310.442 0.259 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H](C)c2cnccn2)CC1 ZINC001152324150 769527132 /nfs/dbraw/zinc/52/71/32/769527132.db2.gz NNEJQNMSXXGTIK-AWEZNQCLSA-N 2 0 315.421 0.589 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152348543 769532350 /nfs/dbraw/zinc/53/23/50/769532350.db2.gz PTSABEGERIGOTO-AWEZNQCLSA-N 2 0 310.442 0.259 20 30 DCEDRP N#Cc1c(F)cc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1F ZINC001235870080 769953318 /nfs/dbraw/zinc/95/33/18/769953318.db2.gz KZRWFZOEIBGCIM-UHFFFAOYSA-N 2 0 323.391 0.421 20 30 DCEDRP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)Cc1ncc[nH]1 ZINC001175872899 769984517 /nfs/dbraw/zinc/98/45/17/769984517.db2.gz IFQAXEUUFRDLOI-AWEZNQCLSA-N 2 0 306.410 0.867 20 30 DCEDRP N#Cc1cc(F)cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001236311600 769994829 /nfs/dbraw/zinc/99/48/29/769994829.db2.gz UXNBYHZUHMMHGQ-UHFFFAOYSA-N 2 0 321.400 0.313 20 30 DCEDRP C=CC[NH2+]CCN(CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236397824 770009813 /nfs/dbraw/zinc/00/98/13/770009813.db2.gz CHQXRXKZGOWNMW-UHFFFAOYSA-N 2 0 310.486 0.396 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176318896 770083175 /nfs/dbraw/zinc/08/31/75/770083175.db2.gz PNCSPWKPHRXHCH-UHFFFAOYSA-N 2 0 309.454 0.998 20 30 DCEDRP C#CCCN1CCO[C@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001177124354 770328935 /nfs/dbraw/zinc/32/89/35/770328935.db2.gz JNUIYFAVOMAMRP-HOTGVXAUSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CCN1CC[C@@H]([N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001155005430 770366278 /nfs/dbraw/zinc/36/62/78/770366278.db2.gz MNGZGSSVWPLVJW-HUUCEWRRSA-N 2 0 324.469 0.552 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)CC[NH+](C)C ZINC001179464505 771008520 /nfs/dbraw/zinc/00/85/20/771008520.db2.gz VMZPJTFVKBLTIN-HNNXBMFYSA-N 2 0 324.469 0.342 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001180226645 771076835 /nfs/dbraw/zinc/07/68/35/771076835.db2.gz DXBAMUULOMMLDZ-ILXRZTDVSA-N 2 0 322.453 0.044 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183240378 771627833 /nfs/dbraw/zinc/62/78/33/771627833.db2.gz BVBFNFRUNIIFML-ZIAGYGMSSA-N 2 0 322.453 0.352 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001183289383 771632706 /nfs/dbraw/zinc/63/27/06/771632706.db2.gz VNWGJDXLUPDAAE-ZIAGYGMSSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001159356360 771900821 /nfs/dbraw/zinc/90/08/21/771900821.db2.gz XHSLJIACVUHISQ-HUUCEWRRSA-N 2 0 322.453 0.095 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001185501538 771922758 /nfs/dbraw/zinc/92/27/58/771922758.db2.gz GLBGVPRQOYNRSA-HOTGVXAUSA-N 2 0 309.454 0.662 20 30 DCEDRP COCC#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001159629103 771936604 /nfs/dbraw/zinc/93/66/04/771936604.db2.gz UGUSFONUPGOICO-QGZVFWFLSA-N 2 0 319.449 0.869 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159932577 771980223 /nfs/dbraw/zinc/98/02/23/771980223.db2.gz SDCURAIPOSVJRR-OCCSQVGLSA-N 2 0 310.442 0.113 20 30 DCEDRP C[C@H]1CN(O)C(=O)[C@H]1Nc1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001160176456 772005154 /nfs/dbraw/zinc/00/51/54/772005154.db2.gz SGTCTITXFZXLIF-HZMBPMFUSA-N 2 0 305.382 0.657 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160870523 772130331 /nfs/dbraw/zinc/13/03/31/772130331.db2.gz YQMREYXPVGYBGS-HZPDHXFCSA-N 2 0 307.438 0.749 20 30 DCEDRP C=CC[N@@H+]1CCC[C@H]1CNc1ccc(N2CC[NH2+]CC2)nn1 ZINC001160952964 772142224 /nfs/dbraw/zinc/14/22/24/772142224.db2.gz KSAAQVLLGLXGGI-AWEZNQCLSA-N 2 0 302.426 0.949 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001188100412 772265705 /nfs/dbraw/zinc/26/57/05/772265705.db2.gz SHOADUDYKPPNKT-MRXNPFEDSA-N 2 0 307.438 0.703 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC#CCOC)C1 ZINC001188140072 772271081 /nfs/dbraw/zinc/27/10/81/772271081.db2.gz XMVMOWHOFZZLAR-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP COC(=O)c1cc(C#N)cnc1NCCC[NH2+]CCCC[NH3+] ZINC001162294214 772353735 /nfs/dbraw/zinc/35/37/35/772353735.db2.gz DFCGUMLTFBHVLK-UHFFFAOYSA-N 2 0 305.382 0.870 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)CCc2nccn2C)C1 ZINC001191478455 772771047 /nfs/dbraw/zinc/77/10/47/772771047.db2.gz IRUVKCQIWHZQOC-OAHLLOKOSA-N 2 0 318.421 0.535 20 30 DCEDRP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001166249041 772795988 /nfs/dbraw/zinc/79/59/88/772795988.db2.gz BARAJOWAHVDTJP-CSLYMUCUSA-N 2 0 317.433 0.359 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166677724 772839344 /nfs/dbraw/zinc/83/93/44/772839344.db2.gz MATHZMNGVFYDSE-ZIAGYGMSSA-N 2 0 310.442 0.115 20 30 DCEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001166814310 772863236 /nfs/dbraw/zinc/86/32/36/772863236.db2.gz AVCHTTSAZKVYDM-MRXNPFEDSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001166814634 772863381 /nfs/dbraw/zinc/86/33/81/772863381.db2.gz MJPOMRNDICUIEU-OAHLLOKOSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001205344189 772988398 /nfs/dbraw/zinc/98/83/98/772988398.db2.gz CKGZOKAJHLQXER-HOTGVXAUSA-N 2 0 307.438 0.864 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193469497 773067833 /nfs/dbraw/zinc/06/78/33/773067833.db2.gz RISBTDZUYGUSED-OAHLLOKOSA-N 2 0 305.422 0.265 20 30 DCEDRP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001194259580 773169712 /nfs/dbraw/zinc/16/97/12/773169712.db2.gz YVQKNKZSEZRYBM-ZIAGYGMSSA-N 2 0 313.442 0.081 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CC#CCOC)C2)CC[N@@H+]1C ZINC001208073210 773394411 /nfs/dbraw/zinc/39/44/11/773394411.db2.gz FGUIYLKGYAXUOV-YESZJQIVSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001208329415 773434780 /nfs/dbraw/zinc/43/47/80/773434780.db2.gz VOKOBTKWKPKEJH-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CCN1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001208604116 773504695 /nfs/dbraw/zinc/50/46/95/773504695.db2.gz BDQOQKGNDKMLMC-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209315044 773590179 /nfs/dbraw/zinc/59/01/79/773590179.db2.gz NYQXQMLORFXNEO-CQSZACIVSA-N 2 0 310.442 0.211 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209314017 773590350 /nfs/dbraw/zinc/59/03/50/773590350.db2.gz GNAUFACYNUYGQZ-CABCVRRESA-N 2 0 324.469 0.600 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211046246 773763131 /nfs/dbraw/zinc/76/31/31/773763131.db2.gz KTEUCKUUDKXPTI-OWCLPIDISA-N 2 0 309.454 0.967 20 30 DCEDRP C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001198097779 773853417 /nfs/dbraw/zinc/85/34/17/773853417.db2.gz HGSQXQMJXHEIIK-HUUCEWRRSA-N 2 0 322.453 0.163 20 30 DCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214646458 774005464 /nfs/dbraw/zinc/00/54/64/774005464.db2.gz TUQQZNGMJPZGOD-DJIMGWMZSA-N 2 0 321.465 0.967 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCC=C)C[C@H]2O)CC1 ZINC001199029621 774018350 /nfs/dbraw/zinc/01/83/50/774018350.db2.gz MOZGLNNRJQWIEY-IAGOWNOFSA-N 2 0 319.449 0.459 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215422007 774071976 /nfs/dbraw/zinc/07/19/76/774071976.db2.gz UGCRUGQVGGPMJR-ZIAGYGMSSA-N 2 0 310.442 0.067 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC#CCOC)C1 ZINC001216507274 774119948 /nfs/dbraw/zinc/11/99/48/774119948.db2.gz SXKPJRWCSOJRHK-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP N#Cc1c(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)sc2c1CC[NH2+]C2 ZINC001218551953 774245206 /nfs/dbraw/zinc/24/52/06/774245206.db2.gz ARDATNOAQAVPSD-LLVKDONJSA-N 3 0 317.418 0.013 20 30 DCEDRP N#Cc1c(NC(=O)[C@H]2CCC3(C[NH2+]C3)O2)sc2c1CC[NH2+]C2 ZINC001218552949 774245813 /nfs/dbraw/zinc/24/58/13/774245813.db2.gz MIFKYSXJCITVPT-LLVKDONJSA-N 2 0 318.402 0.725 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001201309888 774485622 /nfs/dbraw/zinc/48/56/22/774485622.db2.gz UKCJMYXXVPBUGS-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635525 774568197 /nfs/dbraw/zinc/56/81/97/774568197.db2.gz KRLIKCMGOFAIEY-KKUMJFAQSA-N 2 0 304.369 0.634 20 30 DCEDRP C#CC[C@]1(C(=O)NC2CC[NH+](C3CC[NH2+]CC3)CC2)CCC[NH2+]1 ZINC001219796339 774611802 /nfs/dbraw/zinc/61/18/02/774611802.db2.gz WFOVSPLJJSYRPQ-GOSISDBHSA-N 3 0 318.465 0.465 20 30 DCEDRP COC(=O)n1ncc(C#N)c1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220415608 774802004 /nfs/dbraw/zinc/80/20/04/774802004.db2.gz QJIMYOJGEKSAJV-JTQLQIEISA-N 2 0 308.342 0.154 20 30 DCEDRP N#Cc1cccc2c1CC[C@H]2NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220597033 774860264 /nfs/dbraw/zinc/86/02/64/774860264.db2.gz RSUQBLMZFMRZLW-UONOGXRCSA-N 2 0 304.419 0.681 20 30 DCEDRP N#Cc1ccccc1OCCCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220684881 774888793 /nfs/dbraw/zinc/88/87/93/774888793.db2.gz FQFJDXBDCQGHEH-MRXNPFEDSA-N 2 0 316.405 0.770 20 30 DCEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937172 774957611 /nfs/dbraw/zinc/95/76/11/774957611.db2.gz NNWROANWCZGNDD-JKSUJKDBSA-N 2 0 316.405 0.313 20 30 DCEDRP C#CC[C@]1(C(=O)N[C@@H](C[NH3+])c2cccc(OC)c2)CCC[NH2+]1 ZINC001221405448 775089223 /nfs/dbraw/zinc/08/92/23/775089223.db2.gz SZNIVTPZCKPJOE-DOTOQJQBSA-N 2 0 301.390 0.957 20 30 DCEDRP CC#CC[NH+]1CCC(NC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC001227970089 776030615 /nfs/dbraw/zinc/03/06/15/776030615.db2.gz BXJCTQRSGDXDHX-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH+]1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC001230089924 776249911 /nfs/dbraw/zinc/24/99/11/776249911.db2.gz AUSWHEROXGEYPU-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001114925804 776397707 /nfs/dbraw/zinc/39/77/07/776397707.db2.gz ZWNUWDPKLHGRHE-VQFNDLOPSA-N 2 0 319.449 0.415 20 30 DCEDRP C#CCC[NH+]1CCC2(CO[C@@H](CNC(=O)CC[NH+](C)C)C2)CC1 ZINC001278101984 945137527 /nfs/dbraw/zinc/13/75/27/945137527.db2.gz MLFLHQQWLGMUPT-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCN(C(=O)CCC[NH+](C)C)C1CC[NH+](CCCO)CC1 ZINC001278176983 945167902 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DCEDRP COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001267272877 939411291 /nfs/dbraw/zinc/41/12/91/939411291.db2.gz ACPPABIUQHNIBU-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267296439 939417976 /nfs/dbraw/zinc/41/79/76/939417976.db2.gz NTXSBAUJXMAQSJ-CQSZACIVSA-N 2 0 322.453 0.211 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001481061419 939544597 /nfs/dbraw/zinc/54/45/97/939544597.db2.gz WOUZUQYYQJVGJN-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]C[C@H](C)OC)CC1 ZINC001268015749 939735500 /nfs/dbraw/zinc/73/55/00/939735500.db2.gz SBLRACGHYSDOOX-GJZGRUSLSA-N 2 0 309.454 0.708 20 30 DCEDRP C#CCC[NH+]1CCN(CCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001481472630 939886526 /nfs/dbraw/zinc/88/65/26/939886526.db2.gz UNMZWSQLNFHHPY-KRWDZBQOSA-N 2 0 320.481 0.428 20 30 DCEDRP C#CC[NH2+]C[C@](C)(NC(=O)c1cnn(CC[NH+](C)C)c1)C1CC1 ZINC001481944501 940191190 /nfs/dbraw/zinc/19/11/90/940191190.db2.gz MBNRPKUPVBXASW-KRWDZBQOSA-N 2 0 317.437 0.566 20 30 DCEDRP COCC#CC[NH2+]C/C=C/CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001268553818 940231435 /nfs/dbraw/zinc/23/14/35/940231435.db2.gz YIBZEPSXVCNAHQ-QDLOVBKTSA-N 2 0 307.438 0.773 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+][C@@H](C)COC)CC1 ZINC001270193971 940852931 /nfs/dbraw/zinc/85/29/31/940852931.db2.gz NVZCBMITKIUQRX-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)[C@H](C)N1CC[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001270665346 940959872 /nfs/dbraw/zinc/95/98/72/940959872.db2.gz OQQXAHFNSIFXSJ-YOEHRIQHSA-N 2 0 324.469 0.598 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCOC)C1 ZINC001270737127 940978337 /nfs/dbraw/zinc/97/83/37/940978337.db2.gz GKRPTAQBAVDTJU-DOTOQJQBSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001271175458 941313113 /nfs/dbraw/zinc/31/31/13/941313113.db2.gz PBFTXBPYJMWCNX-QGZVFWFLSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001271229811 941329567 /nfs/dbraw/zinc/32/95/67/941329567.db2.gz XHFAJURFRZLXKM-AEFFLSMTSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001483444270 942361140 /nfs/dbraw/zinc/36/11/40/942361140.db2.gz SFTSXVVFVWOOAY-NVXWUHKLSA-N 2 0 321.465 0.995 20 30 DCEDRP C=C(Cl)C[NH2+]CCN(CCO)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001272295326 942671944 /nfs/dbraw/zinc/67/19/44/942671944.db2.gz PEMLTBOLAMKMAX-CYBMUJFWSA-N 2 0 303.834 0.491 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001272301513 942674894 /nfs/dbraw/zinc/67/48/94/942674894.db2.gz JTVFZNRSEYWWQH-DLBZAZTESA-N 2 0 321.465 0.853 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001483945519 943043618 /nfs/dbraw/zinc/04/36/18/943043618.db2.gz ZXDHROAOTIENHC-KBPBESRZSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCO)C1CCCC1 ZINC001484000427 943079077 /nfs/dbraw/zinc/07/90/77/943079077.db2.gz FURGXSOZPCARRW-IRXDYDNUSA-N 2 0 321.465 0.731 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001484025021 943090354 /nfs/dbraw/zinc/09/03/54/943090354.db2.gz FKEKJJVCTCDINQ-MRXNPFEDSA-N 2 0 308.470 0.733 20 30 DCEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001098013571 943140185 /nfs/dbraw/zinc/14/01/85/943140185.db2.gz VKEMQDYQFFZWCE-OAGGEKHMSA-N 2 0 317.437 0.966 20 30 DCEDRP C=CC[NH+]1CCC[C@@](CO)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001484437240 943382578 /nfs/dbraw/zinc/38/25/78/943382578.db2.gz DWYFKNSUWAVOPW-NVXWUHKLSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCC1 ZINC001484655561 943495679 /nfs/dbraw/zinc/49/56/79/943495679.db2.gz ZYSITEWLOMBKME-UHFFFAOYSA-N 2 0 321.465 0.997 20 30 DCEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CCO1 ZINC001484698087 943529061 /nfs/dbraw/zinc/52/90/61/943529061.db2.gz UGFMZRAEASQUBD-RDJZCZTQSA-N 2 0 307.438 0.865 20 30 DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001484842241 943591062 /nfs/dbraw/zinc/59/10/62/943591062.db2.gz WNFJSWMOUIEZJE-AEFFLSMTSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCCCOC)C2)CC1 ZINC001490958349 943688117 /nfs/dbraw/zinc/68/81/17/943688117.db2.gz WBLBSKDFXWZRHO-QAQDUYKDSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001491073626 943738718 /nfs/dbraw/zinc/73/87/18/943738718.db2.gz NDMPSMPHDHNWLM-VNHYZAJKSA-N 2 0 310.442 0.112 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001485203686 943753497 /nfs/dbraw/zinc/75/34/97/943753497.db2.gz DPMMEPGIULPDCC-HZPDHXFCSA-N 2 0 309.454 0.851 20 30 DCEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001486021736 944482729 /nfs/dbraw/zinc/48/27/29/944482729.db2.gz ZFXUJWDTBYWVKP-OAHLLOKOSA-N 2 0 309.454 0.731 20 30 DCEDRP COCC#CCN1CCC[C@@H](NC(=O)Cn2cncc2C)[C@@H]1C ZINC001486175445 944621728 /nfs/dbraw/zinc/62/17/28/944621728.db2.gz DMINIKFSEJTDRE-JKSUJKDBSA-N 2 0 318.421 0.810 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC001277094534 944660016 /nfs/dbraw/zinc/66/00/16/944660016.db2.gz YEYPAVUQKXWJEW-UHFFFAOYSA-N 2 0 307.438 0.607 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001277273032 944734077 /nfs/dbraw/zinc/73/40/77/944734077.db2.gz UNSZUKUTKGDYSH-CABCVRRESA-N 2 0 322.453 0.095 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCC[NH2+]C[C@H](C)O)CC1 ZINC001277364032 944786667 /nfs/dbraw/zinc/78/66/67/944786667.db2.gz YJWCTHCAHRWVRN-GJZGRUSLSA-N 2 0 309.454 0.587 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001317265246 944886402 /nfs/dbraw/zinc/88/64/02/944886402.db2.gz NNKVIZDRMNKFQW-ZIAGYGMSSA-N 2 0 322.453 0.209 20 30 DCEDRP N#CCC1CN(C(=O)[C@H]2CC23C[NH+](CC2CC[NH2+]CC2)C3)C1 ZINC001277822692 944993770 /nfs/dbraw/zinc/99/37/70/944993770.db2.gz XLJQANAEBXDWEY-OAHLLOKOSA-N 2 0 302.422 0.680 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001317521368 945018523 /nfs/dbraw/zinc/01/85/23/945018523.db2.gz CJWJPJHOOCYBTO-NVXWUHKLSA-N 2 0 319.449 0.416 20 30 DCEDRP N#Cc1ccccc1N1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246532016 945427896 /nfs/dbraw/zinc/42/78/96/945427896.db2.gz VEUNQEGGVLJGHI-INIZCTEOSA-N 2 0 311.433 0.774 20 30 DCEDRP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001318789885 945443853 /nfs/dbraw/zinc/44/38/53/945443853.db2.gz PCBPFRUIBRDFAD-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP C[NH+]1CCC(N(C2CC[NH2+]CC2)[C@H]2CCN[C@H](C#N)C2)CC1 ZINC001246993656 945537854 /nfs/dbraw/zinc/53/78/54/945537854.db2.gz LTKXWRAKBNZXNV-YOEHRIQHSA-N 2 0 305.470 0.779 20 30 DCEDRP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001320272867 945798799 /nfs/dbraw/zinc/79/87/99/945798799.db2.gz JTBKSSDTHKUXKJ-XJKSGUPXSA-N 2 0 315.433 0.842 20 30 DCEDRP C#CCOC[C@@H](O)C[NH2+]CC1CC[NH+](CC2CCOCC2)CC1 ZINC001251893861 945812196 /nfs/dbraw/zinc/81/21/96/945812196.db2.gz LOGOJWFBKMOLHB-SFHVURJKSA-N 2 0 324.465 0.725 20 30 DCEDRP C#CCOC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001251897435 945815420 /nfs/dbraw/zinc/81/54/20/945815420.db2.gz YBLHOHGSACRMMN-KRWDZBQOSA-N 2 0 318.417 0.957 20 30 DCEDRP C=CCOC[C@H](O)CN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001252473421 945946420 /nfs/dbraw/zinc/94/64/20/945946420.db2.gz KUGXKFPWYRAPCM-QGZVFWFLSA-N 2 0 311.470 0.509 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001278786558 946397850 /nfs/dbraw/zinc/39/78/50/946397850.db2.gz QWHMHZQWSYCJJK-INIZCTEOSA-N 2 0 323.481 0.931 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001323062128 946919169 /nfs/dbraw/zinc/91/91/69/946919169.db2.gz GBKJBSKRAKVBGY-HZPDHXFCSA-N 2 0 309.454 0.707 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CCCOC)CC1 ZINC001323356898 947052815 /nfs/dbraw/zinc/05/28/15/947052815.db2.gz MEJAFXNZEMMQIH-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCCN1CCN(c2nnnn2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001262213968 947605568 /nfs/dbraw/zinc/60/55/68/947605568.db2.gz DYKCGCOYCKNTSN-HNNXBMFYSA-N 2 0 317.441 0.303 20 30 DCEDRP C#CCC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001325125054 947735502 /nfs/dbraw/zinc/73/55/02/947735502.db2.gz AAFMRGYOMNGDQT-QGZVFWFLSA-N 2 0 309.454 0.541 20 30 DCEDRP C=CCC[C@@H](C)[NH+]1CC(O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001325275339 947735973 /nfs/dbraw/zinc/73/59/73/947735973.db2.gz YGIYOBHTAWGSOE-HUUCEWRRSA-N 2 0 309.454 0.846 20 30 DCEDRP C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001325846368 947949708 /nfs/dbraw/zinc/94/97/08/947949708.db2.gz HCQBSUOAOLVYLC-QGZVFWFLSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001325866106 947958128 /nfs/dbraw/zinc/95/81/28/947958128.db2.gz UDRUOMYJIDHNMT-GOSISDBHSA-N 2 0 321.465 0.829 20 30 DCEDRP C#CCN1CC[C@]2(CC[N@@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001273728105 948051720 /nfs/dbraw/zinc/05/17/20/948051720.db2.gz DZMKIQLSIGPAJJ-SFHVURJKSA-N 2 0 318.465 0.182 20 30 DCEDRP COCC#CCN1CC[C@@H]1CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001263814478 948758004 /nfs/dbraw/zinc/75/80/04/948758004.db2.gz FZOCQUXVQMMJNT-QGZVFWFLSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H](C(C)C)[NH+](C)C)n1 ZINC001264027921 948839742 /nfs/dbraw/zinc/83/97/42/948839742.db2.gz BYELSBBICPHESN-OAHLLOKOSA-N 2 0 319.409 0.107 20 30 DCEDRP C#CCC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001264077153 948864066 /nfs/dbraw/zinc/86/40/66/948864066.db2.gz UONKEUGGMQJBQD-IRXDYDNUSA-N 2 0 321.465 0.779 20 30 DCEDRP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001264636449 949050522 /nfs/dbraw/zinc/05/05/22/949050522.db2.gz TXVNAXIGJYKDJG-IAGOWNOFSA-N 2 0 321.465 0.637 20 30 DCEDRP C=CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001265265329 949514713 /nfs/dbraw/zinc/51/47/13/949514713.db2.gz VWCBCHSAVJPOCM-IAGOWNOFSA-N 2 0 320.481 0.923 20 30 DCEDRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC#CCOC)C1)[NH+](CC)CC ZINC001265493856 949729085 /nfs/dbraw/zinc/72/90/85/949729085.db2.gz FMLRMUMZMSRRPW-BZUAXINKSA-N 2 0 309.454 0.993 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001265685867 949874163 /nfs/dbraw/zinc/87/41/63/949874163.db2.gz FOKWEQCHVZBNIN-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001265874501 950069169 /nfs/dbraw/zinc/06/91/69/950069169.db2.gz FVBMKIOHHXVBOI-CABCVRRESA-N 2 0 324.469 0.600 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001265986868 950231725 /nfs/dbraw/zinc/23/17/25/950231725.db2.gz OFOXFSXXPZJPGE-HOTGVXAUSA-N 2 0 309.454 0.661 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001330404476 950361936 /nfs/dbraw/zinc/36/19/36/950361936.db2.gz MOCJMXFDHLRMSB-GJZGRUSLSA-N 2 0 307.438 0.700 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC#CCOC ZINC001266148879 950421366 /nfs/dbraw/zinc/42/13/66/950421366.db2.gz JWNNLKTVVSUDPG-HOTGVXAUSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001266172292 950439766 /nfs/dbraw/zinc/43/97/66/950439766.db2.gz CZUCRAYJJCQFNA-ZDUSSCGKSA-N 2 0 310.442 0.115 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001490237936 950446367 /nfs/dbraw/zinc/44/63/67/950446367.db2.gz VFHVJINZBMTGRT-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001490611052 950949272 /nfs/dbraw/zinc/94/92/72/950949272.db2.gz QVYNOCBPGHCUOP-HZPDHXFCSA-N 2 0 319.449 0.559 20 30 DCEDRP C=C(C)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001281618527 951563576 /nfs/dbraw/zinc/56/35/76/951563576.db2.gz MZUAWQSYZKPOFA-HNNXBMFYSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001274663253 951773338 /nfs/dbraw/zinc/77/33/38/951773338.db2.gz SXUSHYQQJAINKN-CABCVRRESA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCCC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001274942536 951903782 /nfs/dbraw/zinc/90/37/82/951903782.db2.gz YPHPRJGEPQAKAL-HNNXBMFYSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CCN1CCC[C@@H](NC(=O)N2CCN([C@@H]3CCOC3)CC2)C1 ZINC001333676609 952130143 /nfs/dbraw/zinc/13/01/43/952130143.db2.gz DYPXWNDXKSPUHE-HZPDHXFCSA-N 2 0 320.437 0.200 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CCC[C@H](C)O)CC1 ZINC001275459511 952162623 /nfs/dbraw/zinc/16/26/23/952162623.db2.gz QZFIAISXINCVBU-GJZGRUSLSA-N 2 0 309.454 0.587 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001341664737 953243211 /nfs/dbraw/zinc/24/32/11/953243211.db2.gz DZMDJIZWDOSFKL-NEPJUHHUSA-N 2 0 322.375 0.622 20 30 DCEDRP C=CC[C@]1(C(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)CCC[NH2+]1 ZINC001342605238 953298380 /nfs/dbraw/zinc/29/83/80/953298380.db2.gz VOEVVTXZZYZYAN-SUMWQHHRSA-N 2 0 321.421 0.486 20 30 DCEDRP CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC#CCOC)[NH+](C)C ZINC001281965244 953432075 /nfs/dbraw/zinc/43/20/75/953432075.db2.gz PPXSDEXYDNJLRA-JKSUJKDBSA-N 2 0 309.454 0.899 20 30 DCEDRP CC[NH+]1CCN(CC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC001346183128 953818032 /nfs/dbraw/zinc/81/80/32/953818032.db2.gz YVTYDVOETRPRAO-INIZCTEOSA-N 2 0 324.469 0.285 20 30 DCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001347156686 954033652 /nfs/dbraw/zinc/03/36/52/954033652.db2.gz AURUOXHBECVBGT-LSDHHAIUSA-N 2 0 308.426 0.721 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001283621488 954490049 /nfs/dbraw/zinc/49/00/49/954490049.db2.gz MDMQTUPJQWELMZ-UONOGXRCSA-N 2 0 322.453 0.045 20 30 DCEDRP C=CCOCC[NH2+][C@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001284016066 954780085 /nfs/dbraw/zinc/78/00/85/954780085.db2.gz IABRJKPEKGRALA-GJZGRUSLSA-N 2 0 307.438 0.864 20 30 DCEDRP C#CC[NH2+]CC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC001357431474 957284803 /nfs/dbraw/zinc/28/48/03/957284803.db2.gz VIBVADWZZIVREQ-KRWDZBQOSA-N 2 0 314.433 0.314 20 30 DCEDRP [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)C#CC1CC[NH2+]CC1)CC2 ZINC001358224965 957437649 /nfs/dbraw/zinc/43/76/49/957437649.db2.gz VMKAOMLPTWNGNU-HNNXBMFYSA-N 2 0 305.422 0.346 20 30 DCEDRP CC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001316742994 960230070 /nfs/dbraw/zinc/23/00/70/960230070.db2.gz APFDFUQANVQGKQ-HOTGVXAUSA-N 2 0 307.438 0.389 20 30 DCEDRP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001316742993 960231100 /nfs/dbraw/zinc/23/11/00/960231100.db2.gz APFDFUQANVQGKQ-CVEARBPZSA-N 2 0 307.438 0.389 20 30 DCEDRP C=C(Br)C[NH2+]C[C@@H](O)CNC(=O)[C@H](CC)[NH+](C)C ZINC001379239178 962439882 /nfs/dbraw/zinc/43/98/82/962439882.db2.gz GLYQIMYBJMZZMT-MNOVXSKESA-N 2 0 322.247 0.302 20 30 DCEDRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC001374684167 965753691 /nfs/dbraw/zinc/75/36/91/965753691.db2.gz LCKYINNBJXNHMZ-GFCCVEGCSA-N 2 0 324.450 0.527 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001527667766 1015520800 /nfs/dbraw/zinc/52/08/00/1015520800.db2.gz QMCQMWSOXUXLAV-GDBMZVCRSA-N 2 0 306.454 0.531 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001507091625 1015976980 /nfs/dbraw/zinc/97/69/80/1015976980.db2.gz FXUMEQFBIAEMMT-KBPBESRZSA-N 2 0 310.442 0.209 20 30 DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001502592793 1015987417 /nfs/dbraw/zinc/98/74/17/1015987417.db2.gz XGUIQOJCAQMGMA-SFHVURJKSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001505401223 1016213288 /nfs/dbraw/zinc/21/32/88/1016213288.db2.gz SSVDXOZCJGHYSO-QGZVFWFLSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001507527980 1016443807 /nfs/dbraw/zinc/44/38/07/1016443807.db2.gz FZUNQOHTJIEDBD-QGZVFWFLSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001507528669 1016446584 /nfs/dbraw/zinc/44/65/84/1016446584.db2.gz JCPJFULVGAHRBM-DLBZAZTESA-N 2 0 317.433 0.722 20 30 DCEDRP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC001420189363 1002004030 /nfs/dbraw/zinc/00/40/30/1002004030.db2.gz CZOUQPPGOOCSTD-RISCZKNCSA-N 2 0 324.450 0.527 20 30 DCEDRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001406289178 1003574228 /nfs/dbraw/zinc/57/42/28/1003574228.db2.gz MRMNUJAGMGXJIO-CVEARBPZSA-N 2 0 316.405 0.077 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)[C@H](CC)C(N)=O)CC1 ZINC001506065911 1016973304 /nfs/dbraw/zinc/97/33/04/1016973304.db2.gz YIKRMNCWPPRAFE-DZGCQCFKSA-N 2 0 322.453 0.032 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001479319094 1017494416 /nfs/dbraw/zinc/49/44/16/1017494416.db2.gz DHKBYTLPZBELLC-QLFBSQMISA-N 2 0 322.453 0.209 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001479459951 1017562084 /nfs/dbraw/zinc/56/20/84/1017562084.db2.gz IPEZPXAVFSANJF-GVDBMIGSSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCC[N@@H+](C)C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001506966859 1017712770 /nfs/dbraw/zinc/71/27/70/1017712770.db2.gz GSZIELYAWRBCJF-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CC[NH2+]C[C@H](O)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001497017568 1017739738 /nfs/dbraw/zinc/73/97/38/1017739738.db2.gz LLQKPGYKHLOXQK-ZDUSSCGKSA-N 2 0 301.350 0.134 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001495014853 1018239152 /nfs/dbraw/zinc/23/91/52/1018239152.db2.gz QNYAGTNIVVOWED-AWEZNQCLSA-N 2 0 322.453 0.401 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001480168157 1018276157 /nfs/dbraw/zinc/27/61/57/1018276157.db2.gz YADJUPOYTRPPDA-KBUPBQIOSA-N 2 0 322.453 0.256 20 30 DCEDRP COCC#CC[NH2+]C/C=C\CNC(=O)CC[NH+]1CCCCC1 ZINC001497767206 1018399424 /nfs/dbraw/zinc/39/94/24/1018399424.db2.gz ZEVNOBQUMNGWFS-ARJAWSKDSA-N 2 0 307.438 0.774 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480388432 1018485816 /nfs/dbraw/zinc/48/58/16/1018485816.db2.gz XSXQUBHGJSNYOZ-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCOCC1 ZINC001500591979 1018502340 /nfs/dbraw/zinc/50/23/40/1018502340.db2.gz AWGHHLIANMLOOK-UHFFFAOYSA-N 2 0 321.465 0.997 20 30 DCEDRP C=C(C)CC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001500686745 1018580615 /nfs/dbraw/zinc/58/06/15/1018580615.db2.gz KOPRUAUTDHHGOI-QGZVFWFLSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001480538072 1018637360 /nfs/dbraw/zinc/63/73/60/1018637360.db2.gz STZITNYTMWKZQJ-KGLIPLIRSA-N 2 0 324.469 0.197 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001480770170 1018888639 /nfs/dbraw/zinc/88/86/39/1018888639.db2.gz PIAFHNRUINDWDO-KBPBESRZSA-N 2 0 322.453 0.093 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)CC#CCOC)CC1 ZINC001498458835 1019138207 /nfs/dbraw/zinc/13/82/07/1019138207.db2.gz ZUNJCMJSNKULHX-MRXNPFEDSA-N 2 0 319.449 0.418 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCO1 ZINC001502072978 1019687398 /nfs/dbraw/zinc/68/73/98/1019687398.db2.gz XSTMHILHHVQFBP-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N1CCc2ccccc2C1 ZINC000088633789 395707844 /nfs/dbraw/zinc/70/78/44/395707844.db2.gz DKXKYVDWIFZEKF-KRWDZBQOSA-N 2 0 315.465 0.866 20 30 DCEDRP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492883 397192911 /nfs/dbraw/zinc/19/29/11/397192911.db2.gz GIXRWRMGGNLDJC-UONOGXRCSA-N 2 0 308.426 0.710 20 30 DCEDRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598595283 397255266 /nfs/dbraw/zinc/25/52/66/397255266.db2.gz HTKXKZSIZCNXDU-OAHLLOKOSA-N 2 0 324.469 0.677 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000343774406 415721741 /nfs/dbraw/zinc/72/17/41/415721741.db2.gz XFNHXADRSJRDIL-HIFRSBDPSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000195104976 416325269 /nfs/dbraw/zinc/32/52/69/416325269.db2.gz KHZZPNNLLRJWMJ-UHFFFAOYSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)C(C)C ZINC000419566545 416403944 /nfs/dbraw/zinc/40/39/44/416403944.db2.gz GQHVKUOMFCOIKO-HUUCEWRRSA-N 2 0 322.453 0.361 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000491743549 416622501 /nfs/dbraw/zinc/62/25/01/416622501.db2.gz XQIREDLQOXRWJX-HNNXBMFYSA-N 2 0 310.442 0.088 20 30 DCEDRP C=CC[C@@]1(C(=O)NC[C@H](C)N2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000662756465 417893055 /nfs/dbraw/zinc/89/30/55/417893055.db2.gz HXOAJXOPWGXFPD-RDJZCZTQSA-N 2 0 308.470 0.827 20 30 DCEDRP C[NH+](C)CC1CC[NH+](CC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000330543208 334791297 /nfs/dbraw/zinc/79/12/97/334791297.db2.gz YTNGRMNZZDWONN-UHFFFAOYSA-N 2 0 324.347 0.853 20 30 DCEDRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000329940765 336097784 /nfs/dbraw/zinc/09/77/84/336097784.db2.gz UPRAWSUIHIPXGJ-AWEZNQCLSA-N 2 0 312.458 0.820 20 30 DCEDRP C=CCNC(=O)NC(=O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420367841 337499798 /nfs/dbraw/zinc/49/97/98/337499798.db2.gz ADWIZINNCVYZRA-HIFRSBDPSA-N 2 0 324.425 0.217 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1 ZINC001447302970 1159612124 /nfs/dbraw/zinc/61/21/24/1159612124.db2.gz IVYJCEBXMLXVJW-CYBMUJFWSA-N 2 0 303.834 0.898 20 30 DCEDRP COCC#CCN1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001567921911 1160536181 /nfs/dbraw/zinc/53/61/81/1160536181.db2.gz IVRREIBKQMUPIU-HOTGVXAUSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001568573112 1160688759 /nfs/dbraw/zinc/68/87/59/1160688759.db2.gz KWRGTESQELDVQN-HNNXBMFYSA-N 2 0 309.454 0.589 20 30 DCEDRP COc1ccccc1CNC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2 ZINC000178991458 534078868 /nfs/dbraw/zinc/07/88/68/534078868.db2.gz GGNYFGCMHFJEEX-AWEZNQCLSA-N 2 0 303.410 0.099 20 30 DCEDRP C[NH+]=C(NCC(=O)N1CCCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261969868 526345708 /nfs/dbraw/zinc/34/57/08/526345708.db2.gz MMYQSMVQOLHDJZ-TZMCWYRMSA-N 2 0 307.442 0.257 20 30 DCEDRP C[NH+]=C(NCC(=O)OC(C)(C)C)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262781031 526349150 /nfs/dbraw/zinc/34/91/50/526349150.db2.gz KYXAERLEAUHUAJ-ZDUSSCGKSA-N 2 0 308.426 0.850 20 30 DCEDRP C[NH+]=C(NCC[NH+]1CCCC1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000175575652 526356352 /nfs/dbraw/zinc/35/63/52/526356352.db2.gz CVPKGMFIIKYDDN-AWEZNQCLSA-N 2 0 304.442 0.881 20 30 DCEDRP C[NH+]=C(NC[C@H](C)N1CC[NH+](C)CC1)N(C)Cc1cccn1C ZINC000160901353 526374940 /nfs/dbraw/zinc/37/49/40/526374940.db2.gz GTPKHPVSSSPUPR-HNNXBMFYSA-N 2 0 320.485 0.668 20 30 DCEDRP CC[NH+]=C(NCc1c(C)noc1C)NC[C@H]1C[NH+]2CCN1CC2 ZINC000179018718 528828157 /nfs/dbraw/zinc/82/81/57/528828157.db2.gz VZVBTZPZZHHTQX-AWEZNQCLSA-N 2 0 320.441 0.346 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCc1[nH]nc(N)c1C#N ZINC000267469432 529100837 /nfs/dbraw/zinc/10/08/37/529100837.db2.gz XGTDXDBETGWDII-NSHDSACASA-N 2 0 318.429 0.185 20 30 DCEDRP C=CCN(CCOC)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000682868391 548433528 /nfs/dbraw/zinc/43/35/28/548433528.db2.gz IPKJNHRSYZFUJH-HNNXBMFYSA-N 2 0 324.469 0.999 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]([C@H](C)[NH2+]C(C)C)C2)CC1 ZINC000979457686 660750568 /nfs/dbraw/zinc/75/05/68/660750568.db2.gz MNRQFODCFQCYAA-DOTOQJQBSA-N 2 0 321.465 0.946 20 30 DCEDRP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000980220427 660893662 /nfs/dbraw/zinc/89/36/62/660893662.db2.gz ZRWVBZJGGXGKLD-ARFHVFGLSA-N 2 0 301.434 0.932 20 30 DCEDRP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC000981688872 661195529 /nfs/dbraw/zinc/19/55/29/661195529.db2.gz GMERFQIWEIJJKF-OAHLLOKOSA-N 2 0 305.422 0.265 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](C[C@H](C)O)C2 ZINC000981819199 661222707 /nfs/dbraw/zinc/22/27/07/661222707.db2.gz RNRARRWZDHCDKF-HOTGVXAUSA-N 2 0 319.449 0.389 20 30 DCEDRP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001023550906 657978342 /nfs/dbraw/zinc/97/83/42/657978342.db2.gz PPJWYYOOUVPEJT-JKSUJKDBSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2C[C@@H]2CCOC2)CC1 ZINC001039042881 657991019 /nfs/dbraw/zinc/99/10/19/657991019.db2.gz YJZKOBOYIAZNND-RDJZCZTQSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](C[C@H](C)OC)C2)CC1 ZINC000970922662 658084127 /nfs/dbraw/zinc/08/41/27/658084127.db2.gz AFGZERWDPXGHCE-GJZGRUSLSA-N 2 0 321.465 0.803 20 30 DCEDRP C#CCN1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000969834318 658190915 /nfs/dbraw/zinc/19/09/15/658190915.db2.gz XJJHCTSUBQZBGG-WMLDXEAASA-N 2 0 319.449 0.700 20 30 DCEDRP CCOCCCNC(=[NH2+])NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000170907958 659397738 /nfs/dbraw/zinc/39/77/38/659397738.db2.gz GGNRKMLGWBAPNZ-CQSZACIVSA-N 2 0 300.447 0.674 20 30 DCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001025781310 659555646 /nfs/dbraw/zinc/55/56/46/659555646.db2.gz CDMUXYWYCTYLLL-ALYAQQCSSA-N 2 0 301.434 0.931 20 30 DCEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC000947319505 662509350 /nfs/dbraw/zinc/50/93/50/662509350.db2.gz SGMISPZHRONAIM-GJZGRUSLSA-N 2 0 317.437 0.661 20 30 DCEDRP C#CC[N@H+](C)CCCN1C(=O)N[C@H](C[NH+]2CCCCC2)C1=O ZINC000925311497 662898545 /nfs/dbraw/zinc/89/85/45/662898545.db2.gz DUARQZCLZQOCEG-CQSZACIVSA-N 2 0 306.410 0.348 20 30 DCEDRP C[NH+](C)CCCN(CCC#N)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900377734 663238959 /nfs/dbraw/zinc/23/89/59/663238959.db2.gz CRRHLDQXEBSRHV-MRXNPFEDSA-N 2 0 310.442 0.527 20 30 DCEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991357389 664120588 /nfs/dbraw/zinc/12/05/88/664120588.db2.gz FGZCHMLFOPMTRF-XLMAVXFVSA-N 2 0 319.449 0.842 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000913523568 664334912 /nfs/dbraw/zinc/33/49/12/664334912.db2.gz FWDDTEWWCDWENR-CVEARBPZSA-N 2 0 307.438 0.415 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941566714 666023599 /nfs/dbraw/zinc/02/35/99/666023599.db2.gz KPVLVWTZBZQBFN-INIZCTEOSA-N 2 0 320.481 0.733 20 30 DCEDRP C#CCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001003332775 666296115 /nfs/dbraw/zinc/29/61/15/666296115.db2.gz NCEHWZIYTYHMDI-BFHRDPOASA-N 2 0 317.433 0.454 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001003334523 666296515 /nfs/dbraw/zinc/29/65/15/666296515.db2.gz WONIIQJMBTWNQV-GNHJJJEISA-N 2 0 303.406 0.063 20 30 DCEDRP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034318692 666988539 /nfs/dbraw/zinc/98/85/39/666988539.db2.gz DVUPJXKXMJTKHE-LPMVOBIJSA-N 2 0 317.433 0.454 20 30 DCEDRP N#Cc1ccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC000866714549 667390022 /nfs/dbraw/zinc/39/00/22/667390022.db2.gz ROKOIMLFNZCHFZ-OWCLPIDISA-N 2 0 312.373 0.925 20 30 DCEDRP C[NH+](C)[C@]1(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CCSC1 ZINC000884191738 667493883 /nfs/dbraw/zinc/49/38/83/667493883.db2.gz LTJDHGLKUTYYGH-FYAIKVRKSA-N 2 0 322.478 0.679 20 30 DCEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000923329518 667506019 /nfs/dbraw/zinc/50/60/19/667506019.db2.gz VHUJODLMEIJSDX-HRCADAONSA-N 2 0 309.454 0.894 20 30 DCEDRP C=CCn1c(C)cc(C(=O)CN2CC[NH2+]CC[NH2+]CC2)c1C ZINC000923459138 667536050 /nfs/dbraw/zinc/53/60/50/667536050.db2.gz AMRKBAFXKWRXLC-UHFFFAOYSA-N 2 0 304.438 0.968 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CC)[C@H]2CC[NH2+]C2)CC1 ZINC000884642237 667581342 /nfs/dbraw/zinc/58/13/42/667581342.db2.gz DTPUPTIFXYRXIP-HNNXBMFYSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000838622828 667701370 /nfs/dbraw/zinc/70/13/70/667701370.db2.gz PNCMMRQTMTXCQV-CVEARBPZSA-N 2 0 322.453 0.182 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000761709792 668334630 /nfs/dbraw/zinc/33/46/30/668334630.db2.gz XZSCSIPGFQQHHU-KRWDZBQOSA-N 2 0 319.449 0.701 20 30 DCEDRP C[NH2+]CCOCCN(C)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877029780 668554834 /nfs/dbraw/zinc/55/48/34/668554834.db2.gz NGFQJJNBNBWWND-MRXNPFEDSA-N 2 0 316.405 0.439 20 30 DCEDRP C#CC[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000775400223 668861955 /nfs/dbraw/zinc/86/19/55/668861955.db2.gz XRCYHLRBDLJNQD-MSOLQXFVSA-N 2 0 301.434 0.949 20 30 DCEDRP C#CCN1CCC[C@@H](NC(=O)Nc2ccnn2CC[NH+](C)C)C1 ZINC000931567244 669222973 /nfs/dbraw/zinc/22/29/73/669222973.db2.gz PNLOPOMHUGXOKE-CQSZACIVSA-N 2 0 318.425 0.664 20 30 DCEDRP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@H+]1C)CCO2 ZINC000949048644 669943393 /nfs/dbraw/zinc/94/33/93/669943393.db2.gz ZGWJEHCJMPHZAT-OAHLLOKOSA-N 2 0 307.438 0.960 20 30 DCEDRP C=CCNC(=[NH2+])NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000849003176 670747914 /nfs/dbraw/zinc/74/79/14/670747914.db2.gz RHVPNBBRRUKCTB-UHFFFAOYSA-N 2 0 317.441 0.679 20 30 DCEDRP CCOCCCNC(=[NH2+])NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000303769561 685206167 /nfs/dbraw/zinc/20/61/67/685206167.db2.gz BCLSAADQSSGEJS-KBPBESRZSA-N 2 0 300.447 0.817 20 30 DCEDRP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])N2CCSCC2)CC1 ZINC000303897881 685208281 /nfs/dbraw/zinc/20/82/81/685208281.db2.gz VGNNZUJFEHABJW-AWEZNQCLSA-N 2 0 313.515 0.624 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000305888583 685217744 /nfs/dbraw/zinc/21/77/44/685217744.db2.gz ZRYBMKUNJRFYIX-JSGCOSHPSA-N 2 0 307.442 0.386 20 30 DCEDRP C#CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958174896 687405788 /nfs/dbraw/zinc/40/57/88/687405788.db2.gz IXRHPMWFORYEOX-CVEARBPZSA-N 2 0 319.449 0.295 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214164 687445400 /nfs/dbraw/zinc/44/54/00/687445400.db2.gz DUOTZGSFVHTMQR-LSDHHAIUSA-N 2 0 307.438 0.600 20 30 DCEDRP C#CC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC000958554950 687741677 /nfs/dbraw/zinc/74/16/77/687741677.db2.gz JFIIJSZAHRFVNJ-HZPDHXFCSA-N 2 0 307.438 0.149 20 30 DCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)c2cccc(-n3ccnc3)c2)[C@H](O)C1 ZINC000958558511 687746005 /nfs/dbraw/zinc/74/60/05/687746005.db2.gz IHZXGALVKWOUFV-NVXWUHKLSA-N 2 0 324.384 0.528 20 30 DCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC000960982354 688496482 /nfs/dbraw/zinc/49/64/82/688496482.db2.gz QFKAFCOVSVYBOJ-QLPKVWCKSA-N 2 0 321.384 0.951 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOC)CC[C@H]2C)CC1 ZINC000968681619 690365277 /nfs/dbraw/zinc/36/52/77/690365277.db2.gz KQGGCSTWVHQBEQ-NVXWUHKLSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001073605255 694750144 /nfs/dbraw/zinc/75/01/44/694750144.db2.gz GFJGERKKTGIQRE-DLBZAZTESA-N 2 0 319.449 0.559 20 30 DCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001570414811 1162508304 /nfs/dbraw/zinc/50/83/04/1162508304.db2.gz HKAQESFNLTYLLP-OAHLLOKOSA-N 2 0 309.454 0.990 20 30 DCEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001571443904 1162759514 /nfs/dbraw/zinc/75/95/14/1162759514.db2.gz AOYSPLPUZBSXHK-MRXNPFEDSA-N 2 0 307.438 0.198 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001676406563 1175443987 /nfs/dbraw/zinc/44/39/87/1175443987.db2.gz CZOIQXHPAPWKQR-JYJNAYRXSA-N 2 0 309.454 0.803 20 30 DCEDRP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001571603250 1162851855 /nfs/dbraw/zinc/85/18/55/1162851855.db2.gz XAHZDAVTTOEERO-AWEZNQCLSA-N 2 0 323.462 0.808 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001670474631 1157448023 /nfs/dbraw/zinc/44/80/23/1157448023.db2.gz HWRJTEDORMTMIE-YUELXQCFSA-N 2 0 322.453 0.113 20 30 DCEDRP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001671604061 1157501284 /nfs/dbraw/zinc/50/12/84/1157501284.db2.gz VOSNKODQKICIPD-QGZVFWFLSA-N 2 0 320.481 0.570 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001691146433 1157595777 /nfs/dbraw/zinc/59/57/77/1157595777.db2.gz ULMKQVNLGAJBKK-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001691170443 1157604854 /nfs/dbraw/zinc/60/48/54/1157604854.db2.gz BSQWKZOKYWJHHH-CVEARBPZSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]C[C@@H](C)OC)C2)CC1 ZINC001691184366 1157608577 /nfs/dbraw/zinc/60/85/77/1157608577.db2.gz JNNZGSYDUKRLKJ-BFYDXBDKSA-N 2 0 321.465 0.851 20 30 DCEDRP COCC#CC[N@H+](C)CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001698991495 1157718876 /nfs/dbraw/zinc/71/88/76/1157718876.db2.gz PMUDAVNPMKJAHI-UHFFFAOYSA-N 2 0 321.465 0.902 20 30 DCEDRP CC#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001755877951 1158320769 /nfs/dbraw/zinc/32/07/69/1158320769.db2.gz FCEOUNUXJKACOU-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001566033477 1159869980 /nfs/dbraw/zinc/86/99/80/1159869980.db2.gz VSISBNRLLTUZMM-SJORKVTESA-N 2 0 321.465 0.779 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001565848195 1159910139 /nfs/dbraw/zinc/91/01/39/1159910139.db2.gz JDJMPWLAPSQVQA-APIJFGDWSA-N 2 0 322.453 0.256 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]CC#CCOC ZINC001566952147 1160193239 /nfs/dbraw/zinc/19/32/39/1160193239.db2.gz YMGMHVLJYRAVGP-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)C[C@H]2CCOC2)CC1 ZINC001567353821 1160321622 /nfs/dbraw/zinc/32/16/22/1160321622.db2.gz GZKQTSDTAYFRQK-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001567737527 1160468722 /nfs/dbraw/zinc/46/87/22/1160468722.db2.gz CTBZDTBLMDLYQR-GJZGRUSLSA-N 2 0 324.469 0.409 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC#CCOC ZINC001568175836 1160591379 /nfs/dbraw/zinc/59/13/79/1160591379.db2.gz NKVZDEFIEFJZLY-JKSUJKDBSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001569022799 1160921062 /nfs/dbraw/zinc/92/10/62/1160921062.db2.gz YNWPMEZNBNJZNE-HUUCEWRRSA-N 2 0 322.453 0.093 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001569077077 1160934970 /nfs/dbraw/zinc/93/49/70/1160934970.db2.gz GQAQCKLUQIGABW-KBPBESRZSA-N 2 0 322.453 0.209 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C2(CNC(=O)[C@@H](CC)[NH+](C)C)CC2)C1=O ZINC001569405592 1161047897 /nfs/dbraw/zinc/04/78/97/1161047897.db2.gz TXCNCEUZMUZZAZ-ZIAGYGMSSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001569579615 1161154893 /nfs/dbraw/zinc/15/48/93/1161154893.db2.gz NERXZLJKIMFNIP-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001569877186 1161291241 /nfs/dbraw/zinc/29/12/41/1161291241.db2.gz FUAFCIDGDIUWKA-BBWFWOEESA-N 2 0 321.465 0.613 20 30 DCEDRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCC(NCC#N)CC1 ZINC001569886449 1161295418 /nfs/dbraw/zinc/29/54/18/1161295418.db2.gz BANJDZJMOQUMMN-HNNXBMFYSA-N 2 0 307.442 0.164 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001570187849 1161482664 /nfs/dbraw/zinc/48/26/64/1161482664.db2.gz QGFUKRGELXPSLA-OAHLLOKOSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CCC[NH2+][C@H]1CN(C(=O)C2CC[NH+](CC#C)CC2)C[C@@H]1C ZINC001570364452 1161582094 /nfs/dbraw/zinc/58/20/94/1161582094.db2.gz UBRJKGUPPCLEGH-RDJZCZTQSA-N 2 0 301.434 0.791 20 30 DCEDRP C[C@H](CCC#N)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001575941249 1164189812 /nfs/dbraw/zinc/18/98/12/1164189812.db2.gz MMRBDOQXOZKZJY-YUELXQCFSA-N 2 0 305.426 0.899 20 30 DCEDRP CCC1([NH+]2CCC2)CCN(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC001577230502 1164644820 /nfs/dbraw/zinc/64/48/20/1164644820.db2.gz OHEJUHXCSFWBCB-KGLIPLIRSA-N 2 0 305.426 0.758 20 30 DCEDRP N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)CCC1 ZINC001580038212 1165481217 /nfs/dbraw/zinc/48/12/17/1165481217.db2.gz HJHVXGYRJAHNOU-LSDHHAIUSA-N 2 0 318.425 0.819 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC001639129827 1171822715 /nfs/dbraw/zinc/82/27/15/1171822715.db2.gz KOVPALCBKAHHHM-UHFFFAOYSA-N 2 0 310.442 0.304 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCc2[nH]cnc2[C@]12CC[NH2+]C2 ZINC001646794154 1172536284 /nfs/dbraw/zinc/53/62/84/1172536284.db2.gz BUBABZMXICYNQI-QMTHXVAHSA-N 2 0 309.801 0.453 20 30 DCEDRP C[NH+](C)CC1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC001649975522 1173354028 /nfs/dbraw/zinc/35/40/28/1173354028.db2.gz LXQPUQDEQDVZNG-CKDBGZEDSA-N 2 0 304.438 0.926 20 30 DCEDRP C=CCC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001656772015 1173881067 /nfs/dbraw/zinc/88/10/67/1173881067.db2.gz RDERYDCUIYJKEB-CVEARBPZSA-N 2 0 309.454 0.942 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001661172242 1174103909 /nfs/dbraw/zinc/10/39/09/1174103909.db2.gz IPDAHVKXNMOSIA-KRWDZBQOSA-N 2 0 321.465 0.853 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001661482357 1174130786 /nfs/dbraw/zinc/13/07/86/1174130786.db2.gz JRXBHTNIAUUZGN-LUKYLMHMSA-N 2 0 319.449 0.890 20 30 DCEDRP C#CC[N@@H+](CCCNC(=O)[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC001664558069 1174439885 /nfs/dbraw/zinc/43/98/85/1174439885.db2.gz YCXGBTJDXVQUBP-MRXNPFEDSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC001664760189 1174455063 /nfs/dbraw/zinc/45/50/63/1174455063.db2.gz NICIFCULHHIPPV-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001667847692 1174723786 /nfs/dbraw/zinc/72/37/86/1174723786.db2.gz DGINDQWMVFYULB-HNNXBMFYSA-N 2 0 309.454 0.729 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CCn2cccn2)CC1 ZINC001669750125 1174947066 /nfs/dbraw/zinc/94/70/66/1174947066.db2.gz FGKJBEQWZPAGQP-HNNXBMFYSA-N 2 0 317.437 0.323 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001669930634 1174963574 /nfs/dbraw/zinc/96/35/74/1174963574.db2.gz QCHMYMIIWXWYHD-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001669981171 1174967047 /nfs/dbraw/zinc/96/70/47/1174967047.db2.gz NXVARDYLIRVHBZ-DLBZAZTESA-N 2 0 321.465 0.997 20 30 DCEDRP C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC[NH+](CCO)CC1 ZINC001671477175 1175014492 /nfs/dbraw/zinc/01/44/92/1175014492.db2.gz IUWVKCZYCQIPGZ-DLBZAZTESA-N 2 0 321.465 0.635 20 30 DCEDRP COCC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001672430458 1175106713 /nfs/dbraw/zinc/10/67/13/1175106713.db2.gz WVTWWUONQDRYQV-BBWFWOEESA-N 2 0 319.449 0.511 20 30 DCEDRP CC#CC[NH2+]CC1(NC(=O)C2(C[NH+](C)C)CC2)CCOCC1 ZINC001673739450 1175229921 /nfs/dbraw/zinc/22/99/21/1175229921.db2.gz IFTWDUJTXMCMFL-UHFFFAOYSA-N 2 0 307.438 0.607 20 30 DCEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001675354426 1175350064 /nfs/dbraw/zinc/35/00/64/1175350064.db2.gz QHVPAJZOEYEPNA-CQSZACIVSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCC[NH2+][C@@H](CO)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001676554632 1175460149 /nfs/dbraw/zinc/46/01/49/1175460149.db2.gz KMNXIKMJFRJRLO-CYBMUJFWSA-N 2 0 315.377 0.524 20 30 DCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001676679938 1175475711 /nfs/dbraw/zinc/47/57/11/1175475711.db2.gz GBKGXXVMTWCEIT-GOEBONIOSA-N 2 0 307.438 0.700 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC001677032777 1175513656 /nfs/dbraw/zinc/51/36/56/1175513656.db2.gz LHANGAHBXZWYAE-HNNXBMFYSA-N 2 0 319.449 0.559 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001690155577 1177182673 /nfs/dbraw/zinc/18/26/73/1177182673.db2.gz DRLPQBSTTZEWIK-DLBZAZTESA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]C[C@@H](C)O)C2CC2)CC1 ZINC001690180822 1177188942 /nfs/dbraw/zinc/18/89/42/1177188942.db2.gz WJCABYJKCIRPON-CZUORRHYSA-N 2 0 307.438 0.197 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](CC)OC)C2)CC1 ZINC001690367790 1177223696 /nfs/dbraw/zinc/22/36/96/1177223696.db2.gz BWFXAKVUJKAFMK-BBWFWOEESA-N 2 0 321.465 0.993 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001690400820 1177235812 /nfs/dbraw/zinc/23/58/12/1177235812.db2.gz XMDZDOIOKYYPBS-HOTGVXAUSA-N 2 0 307.438 0.559 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001690429743 1177241642 /nfs/dbraw/zinc/24/16/42/1177241642.db2.gz VXAMQBMGRVFZHQ-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001690882436 1177342005 /nfs/dbraw/zinc/34/20/05/1177342005.db2.gz NVNMUPZZHXVESV-ZIAGYGMSSA-N 2 0 310.442 0.065 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1OCC ZINC001692042383 1177408170 /nfs/dbraw/zinc/40/81/70/1177408170.db2.gz RCUMELVYDPALTR-BRWVUGGUSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH2+][C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC001698977270 1177744395 /nfs/dbraw/zinc/74/43/95/1177744395.db2.gz NTLNHVNQBPQKDF-JKSUJKDBSA-N 2 0 309.454 0.708 20 30 DCEDRP C#CCC[NH2+][C@@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC001698977267 1177744578 /nfs/dbraw/zinc/74/45/78/1177744578.db2.gz NTLNHVNQBPQKDF-CVEARBPZSA-N 2 0 309.454 0.708 20 30 DCEDRP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001699047781 1177796473 /nfs/dbraw/zinc/79/64/73/1177796473.db2.gz ONRNJWRGOBHUNO-GDBMZVCRSA-N 2 0 309.454 0.894 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001699060027 1177811656 /nfs/dbraw/zinc/81/16/56/1177811656.db2.gz CAEDQRWIBIZTBP-CVEARBPZSA-N 2 0 307.438 0.483 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699260885 1178001523 /nfs/dbraw/zinc/00/15/23/1178001523.db2.gz MCHSMYBMRIWFBT-XQIWKARSSA-N 2 0 322.453 0.279 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C)C1=O ZINC001699366757 1178103546 /nfs/dbraw/zinc/10/35/46/1178103546.db2.gz CAOUCCMQLZQXRR-MGPQQGTHSA-N 2 0 310.442 0.208 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001699759456 1178277025 /nfs/dbraw/zinc/27/70/25/1178277025.db2.gz VWTCUDWMZNXWHA-HOTGVXAUSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCOCC1 ZINC001699880930 1178329029 /nfs/dbraw/zinc/32/90/29/1178329029.db2.gz SEYKDOVZUNKBLB-HNNXBMFYSA-N 2 0 307.438 0.749 20 30 DCEDRP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001699906431 1178362401 /nfs/dbraw/zinc/36/24/01/1178362401.db2.gz KGXKDGITCSCZTC-WBVHZDCISA-N 2 0 307.438 0.436 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001700158120 1178504969 /nfs/dbraw/zinc/50/49/69/1178504969.db2.gz RQMYVSQOKSRXGV-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCC[NH2+][C@H](C)[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001700609548 1178679163 /nfs/dbraw/zinc/67/91/63/1178679163.db2.gz DQGSUFCOFSFIPO-GDBMZVCRSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001700831938 1178769033 /nfs/dbraw/zinc/76/90/33/1178769033.db2.gz ZUHYHCGEIWYZPH-DLBZAZTESA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001700914066 1178801940 /nfs/dbraw/zinc/80/19/40/1178801940.db2.gz VITPCZDZQDGRKB-HUUCEWRRSA-N 2 0 322.453 0.259 20 30 DCEDRP C#CC[NH2+]CCOCCN(C)C(=O)c1cc2c[nH]ccc-2n1 ZINC001701037335 1178893712 /nfs/dbraw/zinc/89/37/12/1178893712.db2.gz DXCJLJAGYVGFPM-UHFFFAOYSA-N 2 0 300.362 0.874 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001707075623 1180411174 /nfs/dbraw/zinc/41/11/74/1180411174.db2.gz ICGVVKLGLABSKL-KBXIAJHMSA-N 2 0 322.453 0.113 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001713328499 1180769724 /nfs/dbraw/zinc/76/97/24/1180769724.db2.gz QHIXMLQDTFGRLD-ZIAGYGMSSA-N 2 0 322.453 0.093 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001713809598 1181084866 /nfs/dbraw/zinc/08/48/66/1181084866.db2.gz BVHHDLFQKUZDIJ-UHFFFAOYSA-N 2 0 308.470 0.638 20 30 DCEDRP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001714296627 1181310971 /nfs/dbraw/zinc/31/09/71/1181310971.db2.gz PMHQECSFLMKPIO-JYJNAYRXSA-N 2 0 307.438 0.747 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]C[C@H](C)OC)CC1 ZINC001714878727 1181582303 /nfs/dbraw/zinc/58/23/03/1181582303.db2.gz HTKCRKVQIPDROZ-CABCVRRESA-N 2 0 309.454 0.803 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001715364111 1181789200 /nfs/dbraw/zinc/78/92/00/1181789200.db2.gz CYWHOKGVUSYRRK-MRXNPFEDSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001716086375 1182181660 /nfs/dbraw/zinc/18/16/60/1182181660.db2.gz VWPCHEFVWDUZIH-GOEBONIOSA-N 2 0 307.438 0.341 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001716329882 1182338764 /nfs/dbraw/zinc/33/87/64/1182338764.db2.gz KUFNZWPYMPGTEJ-DPOFCPOHSA-N 2 0 320.437 0.130 20 30 DCEDRP C=CC[NH2+]C1CCN(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001717016038 1182624215 /nfs/dbraw/zinc/62/42/15/1182624215.db2.gz FFVDSXYWZGFOHF-UHFFFAOYSA-N 2 0 320.481 0.971 20 30 DCEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001717060351 1182657552 /nfs/dbraw/zinc/65/75/52/1182657552.db2.gz SJITXUUJTVMPSG-INIZCTEOSA-N 2 0 313.417 0.243 20 30 DCEDRP C=CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001717062294 1182659482 /nfs/dbraw/zinc/65/94/82/1182659482.db2.gz OQDZADQOEAATJC-HOTGVXAUSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001717185532 1182717608 /nfs/dbraw/zinc/71/76/08/1182717608.db2.gz CBIVUDHBGRJKDS-MRXNPFEDSA-N 2 0 307.438 0.703 20 30 DCEDRP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001717189840 1182720821 /nfs/dbraw/zinc/72/08/21/1182720821.db2.gz ISBAAPSIQTZVCD-QGZVFWFLSA-N 2 0 320.481 0.570 20 30 DCEDRP C#CCNC(=O)C[NH2+]C1(C)CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001717303668 1182773404 /nfs/dbraw/zinc/77/34/04/1182773404.db2.gz XTZZKHYTECFKSM-UHFFFAOYSA-N 2 0 322.453 0.048 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)C[C@@H](C)O)CC1 ZINC001717376131 1182808465 /nfs/dbraw/zinc/80/84/65/1182808465.db2.gz KWMQRXSAFHWZKS-NVXWUHKLSA-N 2 0 321.465 0.635 20 30 DCEDRP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001717644701 1182936595 /nfs/dbraw/zinc/93/65/95/1182936595.db2.gz UHPXJYWBKMPPAU-HDJSIYSDSA-N 2 0 309.373 0.999 20 30 DCEDRP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001717695098 1182955946 /nfs/dbraw/zinc/95/59/46/1182955946.db2.gz AFWRGADCVNNKJP-HOTGVXAUSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001717750988 1182978694 /nfs/dbraw/zinc/97/86/94/1182978694.db2.gz UDEYRUPSKARYTA-KGLIPLIRSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]C[C@H]2CCOC2)CC1 ZINC001717755915 1182979933 /nfs/dbraw/zinc/97/99/33/1182979933.db2.gz AHNKOPPJONBHEV-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001717769100 1182988124 /nfs/dbraw/zinc/98/81/24/1182988124.db2.gz KBATVBJOQFCMRU-CYBMUJFWSA-N 2 0 300.362 0.346 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001722992179 1184243288 /nfs/dbraw/zinc/24/32/88/1184243288.db2.gz TUJHYGFUZFJNAU-CABCVRRESA-N 2 0 322.453 0.306 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001723514532 1184322298 /nfs/dbraw/zinc/32/22/98/1184322298.db2.gz HVHLXAOAWBGVKN-CQSZACIVSA-N 2 0 322.453 0.400 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001723531767 1184325586 /nfs/dbraw/zinc/32/55/86/1184325586.db2.gz QAIVFMNBXMGZJZ-UHFFFAOYSA-N 2 0 305.422 0.503 20 30 DCEDRP C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC[NH+](CCO)CC1 ZINC001724053575 1184373495 /nfs/dbraw/zinc/37/34/95/1184373495.db2.gz KQHSMLLXPKYLSC-HOTGVXAUSA-N 2 0 321.465 0.635 20 30 DCEDRP C#CC[NH2+]C1CCN(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001724631948 1184482712 /nfs/dbraw/zinc/48/27/12/1184482712.db2.gz PXFSJHJBCNKUHO-UHFFFAOYSA-N 2 0 320.481 0.522 20 30 DCEDRP C#CC[NH2+]CC[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001724734275 1184539059 /nfs/dbraw/zinc/53/90/59/1184539059.db2.gz RNRQJXJBMGBTFF-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CCO1 ZINC001724815492 1184571654 /nfs/dbraw/zinc/57/16/54/1184571654.db2.gz PROMMITYNOWGQV-OAHLLOKOSA-N 2 0 312.373 0.707 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCOCC1 ZINC001724918260 1184620070 /nfs/dbraw/zinc/62/00/70/1184620070.db2.gz FOLXANRANNEUNO-CVEARBPZSA-N 2 0 319.449 0.892 20 30 DCEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001725271018 1184746342 /nfs/dbraw/zinc/74/63/42/1184746342.db2.gz XWVZZPDFCKRNAR-CABCVRRESA-N 2 0 309.454 0.967 20 30 DCEDRP C=CCOCC[NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001725369158 1184789032 /nfs/dbraw/zinc/78/90/32/1184789032.db2.gz ZYYSSZHMRVNBNR-SHTZXODSSA-N 2 0 307.438 0.769 20 30 DCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C ZINC001725570193 1184889295 /nfs/dbraw/zinc/88/92/95/1184889295.db2.gz VGLBJORZACWYRU-ZBFHGGJFSA-N 2 0 317.437 0.661 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001725612320 1184910905 /nfs/dbraw/zinc/91/09/05/1184910905.db2.gz VHIZOAUNICTGNB-RDJZCZTQSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCC[NH+]1CCN(CCCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001731361142 1185293818 /nfs/dbraw/zinc/29/38/18/1185293818.db2.gz ODNDBHNFFLGYQV-QGZVFWFLSA-N 2 0 320.481 0.475 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001731487517 1185355551 /nfs/dbraw/zinc/35/55/51/1185355551.db2.gz JRXBHTNIAUUZGN-YVSFHVDLSA-N 2 0 319.449 0.890 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001731487516 1185355859 /nfs/dbraw/zinc/35/58/59/1185355859.db2.gz JRXBHTNIAUUZGN-VVLHAWIVSA-N 2 0 319.449 0.890 20 30 DCEDRP C=CCOCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001731528695 1185375837 /nfs/dbraw/zinc/37/58/37/1185375837.db2.gz GZFGIYKPCCJCTF-HOTGVXAUSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CCC)[C@H](C)C(N)=O)CC1 ZINC001731873701 1185542039 /nfs/dbraw/zinc/54/20/39/1185542039.db2.gz NODKRUVVKAJZPG-CQSZACIVSA-N 2 0 322.453 0.034 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001731952325 1185603211 /nfs/dbraw/zinc/60/32/11/1185603211.db2.gz MWPOPRPLSJTREN-KGLIPLIRSA-N 2 0 310.442 0.067 20 30 DCEDRP C=CC[N@H+]1CC[C@H](CCNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001732058972 1185650620 /nfs/dbraw/zinc/65/06/20/1185650620.db2.gz DWKQYNBSRUEOCD-CVEARBPZSA-N 2 0 309.454 0.969 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCC1 ZINC001732398054 1185799234 /nfs/dbraw/zinc/79/92/34/1185799234.db2.gz FIGMRAGAFBFCEN-MRXNPFEDSA-N 2 0 321.465 0.997 20 30 DCEDRP CC#CC[NH2+][C@@H](CNC(=O)COC1CC[NH+](C)CC1)C(C)C ZINC001732572657 1185854364 /nfs/dbraw/zinc/85/43/64/1185854364.db2.gz CIVJOOOXIMFSLD-INIZCTEOSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001732630985 1185881171 /nfs/dbraw/zinc/88/11/71/1185881171.db2.gz RTTNLLYIGXAZBQ-CABCVRRESA-N 2 0 322.453 0.259 20 30 DCEDRP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001733488093 1186295921 /nfs/dbraw/zinc/29/59/21/1186295921.db2.gz KQMKRZIZRIDBKA-MRXNPFEDSA-N 2 0 307.438 0.744 20 30 DCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001733820774 1186460834 /nfs/dbraw/zinc/46/08/34/1186460834.db2.gz DJOAMXCCZVCWFV-GOEBONIOSA-N 2 0 315.433 0.795 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001733900074 1186492495 /nfs/dbraw/zinc/49/24/95/1186492495.db2.gz JPVWBNDQCGISAD-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C[NH2+]CCCO)C2CC2)CC1 ZINC001734308080 1186611046 /nfs/dbraw/zinc/61/10/46/1186611046.db2.gz FQGKLQSWRUWHST-QGZVFWFLSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001734479582 1186663269 /nfs/dbraw/zinc/66/32/69/1186663269.db2.gz XKBNVYPALAKINX-HOTGVXAUSA-N 2 0 321.465 0.853 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC001734494702 1186666278 /nfs/dbraw/zinc/66/62/78/1186666278.db2.gz JMPOPRIMAUGQHZ-OAHLLOKOSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001734545083 1186687210 /nfs/dbraw/zinc/68/72/10/1186687210.db2.gz QTXZNXFXZATPBF-HOTGVXAUSA-N 2 0 309.454 0.635 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001752813031 1188444593 /nfs/dbraw/zinc/44/45/93/1188444593.db2.gz VWBRONLQMIWMJE-IAGOWNOFSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001752927093 1188463130 /nfs/dbraw/zinc/46/31/30/1188463130.db2.gz LKDUFGPHTFLSBT-GJZGRUSLSA-N 2 0 322.453 0.069 20 30 DCEDRP CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC#CCOC ZINC001753474042 1188605640 /nfs/dbraw/zinc/60/56/40/1188605640.db2.gz RAGZWSODWQYGOQ-HOTGVXAUSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001753927173 1188686221 /nfs/dbraw/zinc/68/62/21/1188686221.db2.gz FOIUNIVXOMQNGE-INIZCTEOSA-N 2 0 303.406 0.104 20 30 DCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC([C@H]3CC[NH2+]C3)CC1)C2 ZINC001771873731 1190538400 /nfs/dbraw/zinc/53/84/00/1190538400.db2.gz UCAIGKBNSVEZFK-VUGNNNGISA-N 2 0 316.449 0.974 20 30 DCEDRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(OCC#N)cc1 ZINC001124836290 751720286 /nfs/dbraw/zinc/72/02/86/751720286.db2.gz FGVSDDZKNMSBSY-INIZCTEOSA-N 2 0 316.405 0.889 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001209453548 746999773 /nfs/dbraw/zinc/99/97/73/746999773.db2.gz AHIXUFYRXYXBQJ-HUUCEWRRSA-N 2 0 322.453 0.306 20 30 DCEDRP C#CC[NH2+]CC1(CCNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001167425096 747182443 /nfs/dbraw/zinc/18/24/43/747182443.db2.gz BNIDJFNAFYNDOK-UHFFFAOYSA-N 2 0 317.437 0.568 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@H](C)n1ccnc1 ZINC001167428215 747184515 /nfs/dbraw/zinc/18/45/15/747184515.db2.gz HZOUVDJWHPGTHS-KBPBESRZSA-N 2 0 319.409 0.068 20 30 DCEDRP COCC#CC[NH2+]CC1(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001167737403 747977328 /nfs/dbraw/zinc/97/73/28/747977328.db2.gz SGEKDDWMCHEAKQ-MRXNPFEDSA-N 2 0 321.465 0.854 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001088574584 749679541 /nfs/dbraw/zinc/67/95/41/749679541.db2.gz DBQYZEPCWYLUKF-CABCVRRESA-N 2 0 317.437 0.661 20 30 DCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077127973 750213948 /nfs/dbraw/zinc/21/39/48/750213948.db2.gz RQLYFEHLCGZNTK-BZUAXINKSA-N 2 0 309.454 0.702 20 30 DCEDRP COCC#CC[NH2+]C1CC2(CC(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001122177504 751008711 /nfs/dbraw/zinc/00/87/11/751008711.db2.gz DUVDDFHKDHKZIF-UHFFFAOYSA-N 2 0 319.449 0.749 20 30 DCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001044802003 752882305 /nfs/dbraw/zinc/88/23/05/752882305.db2.gz YUSPBZIUVZIDJJ-HUUCEWRRSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430121 752889497 /nfs/dbraw/zinc/88/94/97/752889497.db2.gz BCKGNNMSGSESMM-BZUAXINKSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CN(C)CCO1)C2 ZINC001045925803 753372329 /nfs/dbraw/zinc/37/23/29/753372329.db2.gz UWROTZNWDQNHCF-AEFFLSMTSA-N 2 0 319.449 0.655 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046081498 753470382 /nfs/dbraw/zinc/47/03/82/753470382.db2.gz GNRQCJBQELIDIS-KRWDZBQOSA-N 2 0 318.465 0.324 20 30 DCEDRP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001047386193 754234484 /nfs/dbraw/zinc/23/44/84/754234484.db2.gz OLGCRYLYABAOEX-FZKCQIBNSA-N 2 0 309.454 0.796 20 30 DCEDRP C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001047551883 754383420 /nfs/dbraw/zinc/38/34/20/754383420.db2.gz WMLLEFGTAAZJFW-JYJNAYRXSA-N 2 0 307.438 0.388 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CCO)C2)CC1 ZINC001072095017 762351875 /nfs/dbraw/zinc/35/18/75/762351875.db2.gz DZJDDCHFCOTPED-HOCLYGCPSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](C[C@H](C)O)CC2)CC1 ZINC001052957032 755885563 /nfs/dbraw/zinc/88/55/63/755885563.db2.gz CJBFVOUOIGDHRA-RDJZCZTQSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCCCOC)CC2)CC1 ZINC001113677931 762464219 /nfs/dbraw/zinc/46/42/19/762464219.db2.gz YPAZCELXRBKNQN-UHFFFAOYSA-N 2 0 321.465 0.902 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001081788639 756785875 /nfs/dbraw/zinc/78/58/75/756785875.db2.gz UINSYNPIEWWMSB-BRWVUGGUSA-N 2 0 321.465 0.803 20 30 DCEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](O)C1 ZINC001090380892 757271810 /nfs/dbraw/zinc/27/18/10/757271810.db2.gz HGOBMJYABWZAKX-JKSUJKDBSA-N 2 0 314.389 0.994 20 30 DCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC001050525939 757796931 /nfs/dbraw/zinc/79/69/31/757796931.db2.gz ORBHEMUWBXJCSK-CVEARBPZSA-N 2 0 317.433 0.407 20 30 DCEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CN(C(C)C)CCO3)C[C@@H]21 ZINC001085016914 758168988 /nfs/dbraw/zinc/16/89/88/758168988.db2.gz VOUIFWSOCMBIMF-IXDOHACOSA-N 2 0 319.449 0.652 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001085601653 759115198 /nfs/dbraw/zinc/11/51/98/759115198.db2.gz CQQASAVKYVVZSV-OAHLLOKOSA-N 2 0 317.437 0.614 20 30 DCEDRP C#CC[NH+](CCO)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001098392309 759231482 /nfs/dbraw/zinc/23/14/82/759231482.db2.gz PJYQTGWYPDMPPS-UHFFFAOYSA-N 2 0 307.438 0.389 20 30 DCEDRP C=CCC[N@H+]1CC[C@H](NC(=O)CCc2cncn2C)[C@H](O)C1 ZINC001100094632 760245211 /nfs/dbraw/zinc/24/52/11/760245211.db2.gz PVPYJGDFLHOBQE-LSDHHAIUSA-N 2 0 306.410 0.480 20 30 DCEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)CCc2cncn2C)[C@@H](O)C1 ZINC001100094629 760245331 /nfs/dbraw/zinc/24/53/31/760245331.db2.gz PVPYJGDFLHOBQE-CABCVRRESA-N 2 0 306.410 0.480 20 30 DCEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001098446079 760278975 /nfs/dbraw/zinc/27/89/75/760278975.db2.gz DXWJJPJBCTWNDK-UHFFFAOYSA-N 2 0 321.465 0.779 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001070209212 761136742 /nfs/dbraw/zinc/13/67/42/761136742.db2.gz ROCYTKJLGJKIRN-QLFBSQMISA-N 2 0 318.425 0.146 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129856204 763026677 /nfs/dbraw/zinc/02/66/77/763026677.db2.gz OGBJCLWUJQNZFL-ZIAGYGMSSA-N 2 0 310.442 0.257 20 30 DCEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971658 763177566 /nfs/dbraw/zinc/17/75/66/763177566.db2.gz KUMXYGXKDDXLSI-LSDHHAIUSA-N 2 0 309.454 0.846 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130297088 763214918 /nfs/dbraw/zinc/21/49/18/763214918.db2.gz HRPPNVOSRJBQKC-OAHLLOKOSA-N 2 0 324.469 0.601 20 30 DCEDRP CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@@H](C)O2 ZINC001131681696 763935188 /nfs/dbraw/zinc/93/51/88/763935188.db2.gz GPDHZGYXMHQPEO-WBVHZDCISA-N 2 0 307.438 0.653 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790772 764014469 /nfs/dbraw/zinc/01/44/69/764014469.db2.gz VKICSDKHSXJSJM-HIFRSBDPSA-N 2 0 322.453 0.257 20 30 DCEDRP C=CCC[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432399 764094755 /nfs/dbraw/zinc/09/47/55/764094755.db2.gz QCNCKYBKERSBQH-WBVHZDCISA-N 2 0 309.454 0.921 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001098478821 764367998 /nfs/dbraw/zinc/36/79/98/764367998.db2.gz FRYORNBHGSFNST-MRXNPFEDSA-N 2 0 321.465 0.779 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001098478863 764376669 /nfs/dbraw/zinc/37/66/69/764376669.db2.gz HVYBERRFPXAGHS-DOTOQJQBSA-N 2 0 321.465 0.493 20 30 DCEDRP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102290575 764579829 /nfs/dbraw/zinc/57/98/29/764579829.db2.gz KFFXWFATVNLUOX-HUUCEWRRSA-N 2 0 324.469 0.315 20 30 DCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643874 765101107 /nfs/dbraw/zinc/10/11/07/765101107.db2.gz UNCFHBYHLIHDOR-HZPDHXFCSA-N 2 0 309.454 0.662 20 30 DCEDRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001133870879 765199988 /nfs/dbraw/zinc/19/99/88/765199988.db2.gz WNNHUWIYRUUDOX-BBRMVZONSA-N 2 0 300.406 0.962 20 30 DCEDRP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135925101 766173171 /nfs/dbraw/zinc/17/31/71/766173171.db2.gz YGICFODENQRGDR-CABCVRRESA-N 2 0 315.458 0.640 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938614 766177616 /nfs/dbraw/zinc/17/76/16/766177616.db2.gz MCBQRDDNADXDFU-KBPBESRZSA-N 2 0 322.453 0.257 20 30 DCEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090542223 766304981 /nfs/dbraw/zinc/30/49/81/766304981.db2.gz BOLBLPHPCKLTEE-CVEARBPZSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CCN1CC[C@@H](NC(=O)Cn2ccnc2C(C)C)[C@H](O)C1 ZINC001090618039 766382677 /nfs/dbraw/zinc/38/26/77/766382677.db2.gz ZMWCRVLHPCRFLZ-ZIAGYGMSSA-N 2 0 304.394 0.191 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090625290 766391216 /nfs/dbraw/zinc/39/12/16/766391216.db2.gz STENJQITZAIPCK-CVEARBPZSA-N 2 0 307.438 0.293 20 30 DCEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cnc2C)[C@H](O)C1 ZINC001090765844 766568644 /nfs/dbraw/zinc/56/86/44/766568644.db2.gz YPSYAKCGTFTVSX-DZGCQCFKSA-N 2 0 306.410 0.778 20 30 DCEDRP C#CC[NH2+]C1CC(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001091135393 766953657 /nfs/dbraw/zinc/95/36/57/766953657.db2.gz VNICBPAENHQTSO-UHFFFAOYSA-N 2 0 309.373 0.999 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146340108 767437580 /nfs/dbraw/zinc/43/75/80/767437580.db2.gz OHBAMEZCRFDQKS-KGLIPLIRSA-N 2 0 310.442 0.257 20 30 DCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1)C(C)C ZINC001121909664 767664138 /nfs/dbraw/zinc/66/41/38/767664138.db2.gz YFFJIRGNWLWIBE-INMHGKMJSA-N 2 0 309.454 0.914 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)CC1 ZINC001121921871 767670161 /nfs/dbraw/zinc/67/01/61/767670161.db2.gz VQYQQBSUCJKQRE-INIZCTEOSA-N 2 0 306.410 0.652 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881307 768897186 /nfs/dbraw/zinc/89/71/86/768897186.db2.gz KOJQNAYEHUTKNM-CVEARBPZSA-N 2 0 309.454 0.803 20 30 DCEDRP C#CC[NH+]1CCC(CCOC)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001151334966 769314913 /nfs/dbraw/zinc/31/49/13/769314913.db2.gz SQSWESUDBXTCKT-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152237310 769512470 /nfs/dbraw/zinc/51/24/70/769512470.db2.gz MKJKHSSBLNCTGD-AWEZNQCLSA-N 2 0 310.442 0.259 20 30 DCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001153424438 769812981 /nfs/dbraw/zinc/81/29/81/769812981.db2.gz LAGUZLOFIDSOOT-CQSZACIVSA-N 2 0 305.426 0.518 20 30 DCEDRP C#CCOc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001235869271 769953970 /nfs/dbraw/zinc/95/39/70/769953970.db2.gz AJSUCSUNABCSCM-UHFFFAOYSA-N 2 0 316.449 0.283 20 30 DCEDRP CCc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)ccc1C#N ZINC001235874270 769957039 /nfs/dbraw/zinc/95/70/39/769957039.db2.gz OQCOZQURWBSKRD-UHFFFAOYSA-N 2 0 315.465 0.705 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C[C@@H]2CCCCO2)CC1 ZINC001176926438 770225609 /nfs/dbraw/zinc/22/56/09/770225609.db2.gz MLUJCEPZXSCKQU-KRWDZBQOSA-N 2 0 321.465 0.997 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[NH+](CC)CC)[C@H]1C ZINC001179744423 771009877 /nfs/dbraw/zinc/00/98/77/771009877.db2.gz PVOWCWWCXKLFDN-ILXRZTDVSA-N 2 0 322.453 0.045 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCOC)[C@@H]2C)CC1 ZINC001180204459 771073732 /nfs/dbraw/zinc/07/37/32/771073732.db2.gz SRTPAUPWWWIHMR-HOCLYGCPSA-N 2 0 307.438 0.557 20 30 DCEDRP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C ZINC001181884304 771363986 /nfs/dbraw/zinc/36/39/86/771363986.db2.gz FGZCWXDSOJTWOJ-YFHUEUNASA-N 2 0 321.465 0.803 20 30 DCEDRP C=CCCCCC[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)NC ZINC001157323593 771586834 /nfs/dbraw/zinc/58/68/34/771586834.db2.gz UUYGXTOCCWFPDT-KBPBESRZSA-N 2 0 312.458 0.810 20 30 DCEDRP C=CCOCC[NH2+]CCCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001159162218 771869264 /nfs/dbraw/zinc/86/92/64/771869264.db2.gz PXJBIZXLNKUTKE-AWEZNQCLSA-N 2 0 303.422 0.965 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001186555691 772054971 /nfs/dbraw/zinc/05/49/71/772054971.db2.gz URHROPUAHSFVLV-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161789555 772283359 /nfs/dbraw/zinc/28/33/59/772283359.db2.gz RDORLICPEZLAHV-UHFFFAOYSA-N 2 0 308.426 0.013 20 30 DCEDRP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C)(COC)CC1 ZINC001162171203 772335724 /nfs/dbraw/zinc/33/57/24/772335724.db2.gz LNRKSDGFILTJMI-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)(COC)CC1 ZINC001162603880 772396507 /nfs/dbraw/zinc/39/65/07/772396507.db2.gz AUOCPGDPFASPJH-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164577069 772683426 /nfs/dbraw/zinc/68/34/26/772683426.db2.gz IVOIPMIQCRIQFP-KKUMJFAQSA-N 2 0 324.469 0.503 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001190946343 772696445 /nfs/dbraw/zinc/69/64/45/772696445.db2.gz JFANVBBCCNQYEY-HOTGVXAUSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165788278 772762968 /nfs/dbraw/zinc/76/29/68/772762968.db2.gz CKSFISHULWYDEB-ZDUSSCGKSA-N 2 0 310.442 0.115 20 30 DCEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001191430626 772767311 /nfs/dbraw/zinc/76/73/11/772767311.db2.gz GGOMHZLEZIMCAE-NDUQDZPOSA-N 2 0 319.449 0.958 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166010605 772778373 /nfs/dbraw/zinc/77/83/73/772778373.db2.gz PPPRKVFRPZWGBK-ZIAGYGMSSA-N 2 0 312.458 0.359 20 30 DCEDRP C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001192170413 772878850 /nfs/dbraw/zinc/87/88/50/772878850.db2.gz LICOIAWOKCXNDZ-LSDHHAIUSA-N 2 0 322.453 0.258 20 30 DCEDRP C#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001205345595 772988146 /nfs/dbraw/zinc/98/81/46/772988146.db2.gz RYNICBLRCSFSRD-HZPDHXFCSA-N 2 0 305.422 0.311 20 30 DCEDRP COCC#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001206281570 773062169 /nfs/dbraw/zinc/06/21/69/773062169.db2.gz MGPBRQBCPSUGLR-WBVHZDCISA-N 2 0 321.465 0.662 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193570320 773079228 /nfs/dbraw/zinc/07/92/28/773079228.db2.gz IKVPJTKLXVBKIB-INIZCTEOSA-N 2 0 309.454 0.901 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193570321 773079307 /nfs/dbraw/zinc/07/93/07/773079307.db2.gz IKVPJTKLXVBKIB-MRXNPFEDSA-N 2 0 309.454 0.901 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001209668734 773632714 /nfs/dbraw/zinc/63/27/14/773632714.db2.gz HVZHOAPRGHAMEA-KBPBESRZSA-N 2 0 310.442 0.209 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210685747 773730619 /nfs/dbraw/zinc/73/06/19/773730619.db2.gz YIVLNCOBXVIEAO-OAHLLOKOSA-N 2 0 305.422 0.313 20 30 DCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211090199 773769265 /nfs/dbraw/zinc/76/92/65/773769265.db2.gz HSIPOSJDESVSFU-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211284565 773790267 /nfs/dbraw/zinc/79/02/67/773790267.db2.gz MZOOMSXPVZIZGP-GJZGRUSLSA-N 2 0 322.453 0.045 20 30 DCEDRP CC[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303885452 774015196 /nfs/dbraw/zinc/01/51/96/774015196.db2.gz NENPAHKBWAMQBN-HNNXBMFYSA-N 2 0 311.474 0.345 20 30 DCEDRP CC(C)(C)n1cc(C#N)cc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218561397 774247674 /nfs/dbraw/zinc/24/76/74/774247674.db2.gz ZCUVYPXXDURRHI-LBPRGKRZSA-N 2 0 301.394 0.862 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CCCO1 ZINC001200721136 774397570 /nfs/dbraw/zinc/39/75/70/774397570.db2.gz HVTGQUOIZNOTGT-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCCO1 ZINC001201419924 774507536 /nfs/dbraw/zinc/50/75/36/774507536.db2.gz HZDIDRMARRAROB-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001201862443 774559557 /nfs/dbraw/zinc/55/95/57/774559557.db2.gz AVUNLLVTKYDCCU-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CCCO1 ZINC001202148277 774606882 /nfs/dbraw/zinc/60/68/82/774606882.db2.gz STMDMPKKBFYFCK-SJORKVTESA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCOCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001219903350 774641318 /nfs/dbraw/zinc/64/13/18/774641318.db2.gz YVQKNKZSEZRYBM-KGLIPLIRSA-N 2 0 313.442 0.081 20 30 DCEDRP C#CC[C@]1(C(=O)NC[C@@H]2CC[NH2+][C@@H]2c2cccnc2)CCC[NH2+]1 ZINC001220788441 774915483 /nfs/dbraw/zinc/91/54/83/774915483.db2.gz DUPJKPOJCGGYBU-LZLYRXPVSA-N 2 0 312.417 0.994 20 30 DCEDRP C#CC[C@]1(C(=O)N[C@H](C[NH3+])c2cccc(OC)c2)CCC[NH2+]1 ZINC001221405449 775089321 /nfs/dbraw/zinc/08/93/21/775089321.db2.gz SZNIVTPZCKPJOE-NVXWUHKLSA-N 2 0 301.390 0.957 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001225346260 775668862 /nfs/dbraw/zinc/66/88/62/775668862.db2.gz LAFGEYAMVJIEAN-BZUAXINKSA-N 2 0 307.438 0.747 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CC#CCOC)CC2)CC[N@@H+]1C ZINC001227453841 775974995 /nfs/dbraw/zinc/97/49/95/775974995.db2.gz KDTZRRMLCZXQIF-DLBZAZTESA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001228602341 776101368 /nfs/dbraw/zinc/10/13/68/776101368.db2.gz ICJDCRCYSAZOGN-BRWVUGGUSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)COC[C@H](C)[NH+]2CCCC2)CC1 ZINC001229242303 776173804 /nfs/dbraw/zinc/17/38/04/776173804.db2.gz AAHAQCRDTLLUKP-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[N@H+]1CC[C@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001041764317 777480115 /nfs/dbraw/zinc/48/01/15/777480115.db2.gz YEFORYIADALYIH-SFHVURJKSA-N 2 0 319.449 0.655 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266532884 939154105 /nfs/dbraw/zinc/15/41/05/939154105.db2.gz AZXCZBVLMGRGIM-JKSUJKDBSA-N 2 0 309.454 0.661 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001266545458 939159074 /nfs/dbraw/zinc/15/90/74/939159074.db2.gz READQNWIZVKTEH-LSDHHAIUSA-N 2 0 322.453 0.306 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001266851617 939253613 /nfs/dbraw/zinc/25/36/13/939253613.db2.gz ALKHJJUBPJJYJH-HNNXBMFYSA-N 2 0 322.453 0.048 20 30 DCEDRP C=CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267001221 939302965 /nfs/dbraw/zinc/30/29/65/939302965.db2.gz LLGMBCNRHUXXDZ-LSDHHAIUSA-N 2 0 322.453 0.211 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001267016021 939310617 /nfs/dbraw/zinc/31/06/17/939310617.db2.gz CKQBYIBIGPSRBU-HNNXBMFYSA-N 2 0 324.469 0.553 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001267043947 939322042 /nfs/dbraw/zinc/32/20/42/939322042.db2.gz FMUKVTMVQUFAKB-AWEZNQCLSA-N 2 0 322.453 0.211 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267055780 939325825 /nfs/dbraw/zinc/32/58/25/939325825.db2.gz LWVYMGANAHTYGE-OAHLLOKOSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001267087285 939336258 /nfs/dbraw/zinc/33/62/58/939336258.db2.gz YQVOLHKMMBBCDA-JKSUJKDBSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[N@@H+](CCNC(=O)c1cnn(CC[NH+](C)C)c1)C1CC1 ZINC001481189142 939601919 /nfs/dbraw/zinc/60/19/19/939601919.db2.gz AWCBAOHJDXNDKR-UHFFFAOYSA-N 2 0 303.410 0.272 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H]2CC[N@@H+](C[C@@H](C)O)C2)CC1 ZINC001481461799 939875510 /nfs/dbraw/zinc/87/55/10/939875510.db2.gz IXOMVWBTCWZCCQ-CVEARBPZSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268811616 940369312 /nfs/dbraw/zinc/36/93/12/940369312.db2.gz PHIIDZAMTWIGAB-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001284517594 940713692 /nfs/dbraw/zinc/71/36/92/940713692.db2.gz WZRFRCUEAIPSJJ-KRWDZBQOSA-N 2 0 323.481 0.881 20 30 DCEDRP CCC[N@H+](C)CC(=O)NC1(C)CC[NH+](CC#CCOC)CC1 ZINC001270260783 940867640 /nfs/dbraw/zinc/86/76/40/940867640.db2.gz HEHFWRTYTBSBNJ-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCCO)CC1 ZINC001482697278 941625888 /nfs/dbraw/zinc/62/58/88/941625888.db2.gz LITGIHVUGRZGFK-IRXDYDNUSA-N 2 0 321.465 0.589 20 30 DCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083563262 941943469 /nfs/dbraw/zinc/94/34/69/941943469.db2.gz GTBUVFXRYWQPOT-CABCVRRESA-N 2 0 307.438 0.600 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001272520337 942800344 /nfs/dbraw/zinc/80/03/44/942800344.db2.gz HGSODYBRZQIBCK-CZUORRHYSA-N 2 0 313.417 0.289 20 30 DCEDRP C#CC[N@@H+]1C[C@@H]2C[C@H]1C[C@H](NC(=O)C1CC[NH+](CC#C)CC1)C2 ZINC001047209447 942912938 /nfs/dbraw/zinc/91/29/38/942912938.db2.gz WCLUEANVWOFYRO-JQHSSLGASA-N 2 0 313.445 0.934 20 30 DCEDRP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001484357072 943333741 /nfs/dbraw/zinc/33/37/41/943333741.db2.gz YFEAUWDILIKLHC-CVEARBPZSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001491261521 943875680 /nfs/dbraw/zinc/87/56/80/943875680.db2.gz WAVPACFZGHABBA-OAHLLOKOSA-N 2 0 322.453 0.048 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001491456861 944011191 /nfs/dbraw/zinc/01/11/91/944011191.db2.gz PLMCEVQMJKDXFJ-AWEZNQCLSA-N 2 0 322.453 0.095 20 30 DCEDRP COCC#CC[N@H+](C)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001485766985 944125495 /nfs/dbraw/zinc/12/54/95/944125495.db2.gz SOEOCRPISSYSEB-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CCN1C[C@]2(CCN(CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001272870967 944291546 /nfs/dbraw/zinc/29/15/46/944291546.db2.gz SXOVTTPBPDPMTG-QGZVFWFLSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CCN1C[C@]2(CC1=O)COCC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC001272887243 944302006 /nfs/dbraw/zinc/30/20/06/944302006.db2.gz APZIYYVJFSIAKQ-GOSISDBHSA-N 2 0 319.449 0.512 20 30 DCEDRP C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001485997790 944471845 /nfs/dbraw/zinc/47/18/45/944471845.db2.gz RQYKHODUADNXSK-CVEARBPZSA-N 2 0 321.465 0.731 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)CCn1ccnc1 ZINC001486289944 944729662 /nfs/dbraw/zinc/72/96/62/944729662.db2.gz AYTSSDOOVNLFAI-GFCCVEGCSA-N 2 0 300.790 0.435 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CC#CCOC)C1 ZINC001317162729 944832597 /nfs/dbraw/zinc/83/25/97/944832597.db2.gz QNQAVDPRNZZNQB-MRXNPFEDSA-N 2 0 309.454 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001317335546 944930975 /nfs/dbraw/zinc/93/09/75/944930975.db2.gz RFZSLOHSHAXMKD-GOEBONIOSA-N 2 0 324.469 0.313 20 30 DCEDRP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2CCOC3(C[NH2+]C3)C2)cc1 ZINC001246303890 945380343 /nfs/dbraw/zinc/38/03/43/945380343.db2.gz JLHIFAIHUBSKNE-CYBMUJFWSA-N 2 0 303.362 0.700 20 30 DCEDRP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001318483329 945381440 /nfs/dbraw/zinc/38/14/40/945381440.db2.gz PRLNEYHKSZHYSP-MRXNPFEDSA-N 2 0 309.454 0.901 20 30 DCEDRP COC(=O)[C@@H]1CC[C@@H]([NH+]=C(C)NCc2cccc(C[NH3+])c2)CN1 ZINC001246524631 945427774 /nfs/dbraw/zinc/42/77/74/945427774.db2.gz KJJMWXWQNHYPGB-CVEARBPZSA-N 2 0 318.421 0.947 20 30 DCEDRP CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CCN[C@H](C#N)C3)C[C@@H]1C[NH2+]CCC2 ZINC001246601755 945442083 /nfs/dbraw/zinc/44/20/83/945442083.db2.gz GPTUUBUXOCDZRL-MPTYRVRUSA-N 2 0 320.437 0.495 20 30 DCEDRP C[NH+]1CCC(N(C2CC[NH2+]CC2)[C@@H]2CCN[C@H](C#N)C2)CC1 ZINC001246993638 945538088 /nfs/dbraw/zinc/53/80/88/945538088.db2.gz LTKXWRAKBNZXNV-WMLDXEAASA-N 2 0 305.470 0.779 20 30 DCEDRP C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)C1CC[NH+](C)CC1 ZINC001319776259 945664404 /nfs/dbraw/zinc/66/44/04/945664404.db2.gz JMCRFIBMZVUYJN-IUDBQGPFSA-N 2 0 306.410 0.833 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001320242981 945784987 /nfs/dbraw/zinc/78/49/87/945784987.db2.gz QLGRRWFORIWXAB-CQSZACIVSA-N 2 0 300.362 0.346 20 30 DCEDRP C=CCOC[C@H](O)C[NH+]1CCN(CC[NH+](CC=C)CC=C)CC1 ZINC001252473448 945945687 /nfs/dbraw/zinc/94/56/87/945945687.db2.gz LNIUOVPPJRPQAF-GOSISDBHSA-N 2 0 323.481 0.842 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CCOCC1 ZINC001278734001 946149092 /nfs/dbraw/zinc/14/90/92/946149092.db2.gz PRAHJLCOYZFIOS-HNNXBMFYSA-N 2 0 307.438 0.749 20 30 DCEDRP CC(C)[NH+]1CCC([NH2+]CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001321070046 946152219 /nfs/dbraw/zinc/15/22/19/946152219.db2.gz JCBJKDBVWRCNPO-FOCLMDBBSA-N 2 0 306.410 0.975 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001273261120 946337711 /nfs/dbraw/zinc/33/77/11/946337711.db2.gz PTQXTRUAVIWCQH-HOTGVXAUSA-N 2 0 305.422 0.169 20 30 DCEDRP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001278809830 946429433 /nfs/dbraw/zinc/42/94/33/946429433.db2.gz HOXJETIKHXSZKN-FUHWJXTLSA-N 2 0 321.465 0.827 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001410737204 946865876 /nfs/dbraw/zinc/86/58/76/946865876.db2.gz UXLMWZKIZCOZEQ-AWEZNQCLSA-N 2 0 322.384 0.216 20 30 DCEDRP CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC001410758752 946903629 /nfs/dbraw/zinc/90/36/29/946903629.db2.gz WADHFBKTNXFQGA-BXUZGUMPSA-N 2 0 324.450 0.527 20 30 DCEDRP N#CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001261501526 947321558 /nfs/dbraw/zinc/32/15/58/947321558.db2.gz DPADCEGOULXRBH-GJZGRUSLSA-N 2 0 308.426 0.767 20 30 DCEDRP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001324353940 947397622 /nfs/dbraw/zinc/39/76/22/947397622.db2.gz YPUCMARVZZUPEI-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH+]1CCC2(CO[C@@H](CNC(=O)CC[NH+](C)C)C2)CC1 ZINC001324351684 947398567 /nfs/dbraw/zinc/39/85/67/947398567.db2.gz FSVQNOOYAYKBCZ-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C=C[C@H](COC)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001261982823 947518382 /nfs/dbraw/zinc/51/83/82/947518382.db2.gz KKJLGKHIDQPGDE-RBSFLKMASA-N 2 0 312.458 0.568 20 30 DCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC001325511201 947820822 /nfs/dbraw/zinc/82/08/22/947820822.db2.gz ZZGDNUCSDNZJPG-GJZGRUSLSA-N 2 0 319.453 0.928 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCO1 ZINC001327077802 948388720 /nfs/dbraw/zinc/38/87/20/948388720.db2.gz BAZNQQSMCNZLCT-IAGOWNOFSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH2+][C@@H](C)CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001328362921 948854266 /nfs/dbraw/zinc/85/42/66/948854266.db2.gz PUEZTCSTUBXXIY-HNNXBMFYSA-N 2 0 309.454 0.853 20 30 DCEDRP O=C(NCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1N=CC=CC1=O ZINC001328479362 948915321 /nfs/dbraw/zinc/91/53/21/948915321.db2.gz XLXLHWKLQKEBDF-QQGXTGDTSA-N 2 0 304.394 0.491 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCCC[N@@H+](C)CC[C@@H]1CCOC1 ZINC001264997129 949157776 /nfs/dbraw/zinc/15/77/76/949157776.db2.gz XQZFOUXKLXMSEF-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001329256452 949468795 /nfs/dbraw/zinc/46/87/95/949468795.db2.gz FPBKHMYANJAUDE-KLAILNCOSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CC[NH+]1CCN(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001265261840 949513000 /nfs/dbraw/zinc/51/30/00/949513000.db2.gz WYKRGHVBXREWDQ-UHFFFAOYSA-N 2 0 306.454 0.535 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001265597518 949799588 /nfs/dbraw/zinc/79/95/88/949799588.db2.gz ZWOLTBIIFLOHFD-CVEARBPZSA-N 2 0 307.438 0.416 20 30 DCEDRP CC[N@@H+](CC#CCOC)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001490355617 950650432 /nfs/dbraw/zinc/65/04/32/950650432.db2.gz ONEAWEQEPZUGMV-UHFFFAOYSA-N 2 0 307.438 0.560 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CCO1 ZINC001280600338 950977604 /nfs/dbraw/zinc/97/76/04/950977604.db2.gz GQFUFDUIIKWHTI-JKSUJKDBSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CCN1CC[C@@H]1CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001316604931 951023634 /nfs/dbraw/zinc/02/36/34/951023634.db2.gz MWDJOUYEOQQSGS-JKSUJKDBSA-N 2 0 307.438 0.511 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001281144393 951324258 /nfs/dbraw/zinc/32/42/58/951324258.db2.gz CLZBEBZOQFLJSC-XYJFISCASA-N 2 0 321.465 0.683 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001332341502 951596469 /nfs/dbraw/zinc/59/64/69/951596469.db2.gz PYEQCXFMYODUJU-CVEARBPZSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001281675559 951596680 /nfs/dbraw/zinc/59/66/80/951596680.db2.gz MLBARDASHVOFCW-CABCVRRESA-N 2 0 324.469 0.600 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001332518035 951677410 /nfs/dbraw/zinc/67/74/10/951677410.db2.gz OPOYWTFXMUXWCW-CYBMUJFWSA-N 2 0 309.435 0.465 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001274720622 951804596 /nfs/dbraw/zinc/80/45/96/951804596.db2.gz ZSWNFUMCLMNUON-HOTGVXAUSA-N 2 0 309.454 0.993 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001274825192 951847115 /nfs/dbraw/zinc/84/71/15/951847115.db2.gz NIJWOTDRCQQUOO-CVEARBPZSA-N 2 0 309.454 0.851 20 30 DCEDRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH2+]CC#CCOC)C1 ZINC001274887919 951868346 /nfs/dbraw/zinc/86/83/46/951868346.db2.gz FARNXHXUONKHSO-CVEARBPZSA-N 2 0 309.454 0.853 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001280756700 952501620 /nfs/dbraw/zinc/50/16/20/952501620.db2.gz LXUNAFUFBKZKJJ-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C[NH+]1CCN(CCC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC001336729183 952757639 /nfs/dbraw/zinc/75/76/39/952757639.db2.gz ZJUULCICRNQXGH-MRXNPFEDSA-N 2 0 324.469 0.285 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001340221400 953154957 /nfs/dbraw/zinc/15/49/57/953154957.db2.gz DDZIWCVPACEDPB-GOEBONIOSA-N 3 0 308.470 0.955 20 30 DCEDRP C=CCCC[C@H]([NH3+])C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001340876878 953201179 /nfs/dbraw/zinc/20/11/79/953201179.db2.gz RJEJCKUROUISFO-GJZGRUSLSA-N 2 0 322.453 0.481 20 30 DCEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001342694076 953302065 /nfs/dbraw/zinc/30/20/65/953302065.db2.gz ZXOUCISLTAIXHP-STQMWFEESA-N 2 0 309.410 0.472 20 30 DCEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001342694073 953302360 /nfs/dbraw/zinc/30/23/60/953302360.db2.gz ZXOUCISLTAIXHP-OLZOCXBDSA-N 2 0 309.410 0.472 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001281890290 953404529 /nfs/dbraw/zinc/40/45/29/953404529.db2.gz JMIHXUNHDSHNEL-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP N#CCCC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC001349098853 954602522 /nfs/dbraw/zinc/60/25/22/954602522.db2.gz KDJUJQLPUIYSKM-CQSZACIVSA-N 2 0 308.426 0.769 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001283899669 954706802 /nfs/dbraw/zinc/70/68/02/954706802.db2.gz PJQQJCKJDQMHLF-HUUCEWRRSA-N 2 0 307.438 0.557 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC001367606342 958164971 /nfs/dbraw/zinc/16/49/71/958164971.db2.gz VXFVJWKAINCVCN-LLVKDONJSA-N 2 0 310.423 0.138 20 30 DCEDRP C=C(Cl)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001377161668 959600855 /nfs/dbraw/zinc/60/08/55/959600855.db2.gz ZEYJFCODMDMKEB-UKRRQHHQSA-N 2 0 315.845 0.776 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001368576004 960051388 /nfs/dbraw/zinc/05/13/88/960051388.db2.gz IPCAVXLFNIDHQL-HZSPNIEDSA-N 2 0 315.845 0.896 20 30 DCEDRP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001316750455 960309564 /nfs/dbraw/zinc/30/95/64/960309564.db2.gz RXEYDNQTJHTCGO-HZPDHXFCSA-N 2 0 307.438 0.389 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001369469056 965031576 /nfs/dbraw/zinc/03/15/76/965031576.db2.gz DCHILIMCPYDERY-ZDUSSCGKSA-N 2 0 303.834 0.632 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)CC[NH+]1CCCCC1 ZINC001374683955 965754064 /nfs/dbraw/zinc/75/40/64/965754064.db2.gz JZIGDMBDIXDRAG-CYBMUJFWSA-N 2 0 303.834 0.682 20 30 DCEDRP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001507035143 1015907544 /nfs/dbraw/zinc/90/75/44/1015907544.db2.gz FZDBRQUWVCKYGN-GDBMZVCRSA-N 2 0 309.454 0.967 20 30 DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001502586819 1015985255 /nfs/dbraw/zinc/98/52/55/1015985255.db2.gz VLKBEXWHTCNXPO-WBVHZDCISA-N 2 0 309.454 0.539 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)C2CC[NH+](CC#C)CC2)CCOCC1 ZINC001502643981 1016012958 /nfs/dbraw/zinc/01/29/58/1016012958.db2.gz RPWLQZWTWAFMTE-UHFFFAOYSA-N 2 0 317.433 0.220 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001507325526 1016252818 /nfs/dbraw/zinc/25/28/18/1016252818.db2.gz ARQQFMCEAFTODZ-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+][C@@H](C)COC)C2)CC1 ZINC001505537510 1016291372 /nfs/dbraw/zinc/29/13/72/1016291372.db2.gz AJOWTQXCEVCEIW-UQPPLGOBSA-N 2 0 321.465 0.851 20 30 DCEDRP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC001420189355 1002005651 /nfs/dbraw/zinc/00/56/51/1002005651.db2.gz CZOUQPPGOOCSTD-FZMZJTMJSA-N 2 0 324.450 0.527 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC001471629661 1016608619 /nfs/dbraw/zinc/60/86/19/1016608619.db2.gz MAXUQRMVVFONNG-OAHLLOKOSA-N 2 0 308.426 0.058 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001442669419 1009601315 /nfs/dbraw/zinc/60/13/15/1009601315.db2.gz VBDKOTFANQNKIQ-UHFFFAOYSA-N 2 0 308.470 0.779 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001499422771 1017924548 /nfs/dbraw/zinc/92/45/48/1017924548.db2.gz YEBWDZWBBCFEIQ-HOTGVXAUSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001497308500 1018037256 /nfs/dbraw/zinc/03/72/56/1018037256.db2.gz UHYBOQZDYSKBKZ-ZIAGYGMSSA-N 2 0 322.453 0.257 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)COC)C2)CC1 ZINC001480237557 1018349612 /nfs/dbraw/zinc/34/96/12/1018349612.db2.gz CSYSIZZBGZCQIN-BMFZPTHFSA-N 2 0 307.438 0.603 20 30 DCEDRP C#CC[N@H+]1CCCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001480329742 1018432640 /nfs/dbraw/zinc/43/26/40/1018432640.db2.gz FJVUTRBPRPVJPZ-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001480344316 1018451684 /nfs/dbraw/zinc/45/16/84/1018451684.db2.gz CFEHUVAMXLMRKX-OAHLLOKOSA-N 2 0 317.437 0.662 20 30 DCEDRP COCC#CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001480400567 1018501065 /nfs/dbraw/zinc/50/10/65/1018501065.db2.gz PMHQECSFLMKPIO-GPANFISMSA-N 2 0 307.438 0.747 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCOCC1 ZINC001500581734 1018501384 /nfs/dbraw/zinc/50/13/84/1018501384.db2.gz FXEGOHSTEAQCJQ-MRXNPFEDSA-N 2 0 321.465 0.997 20 30 DCEDRP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001500736626 1018618629 /nfs/dbraw/zinc/61/86/29/1018618629.db2.gz VWZYULLTRAHNSI-AEFFLSMTSA-N 2 0 321.465 0.826 20 30 DCEDRP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001480679956 1018770790 /nfs/dbraw/zinc/77/07/90/1018770790.db2.gz RIQLKFKJDPLQIY-HOTGVXAUSA-N 2 0 309.454 0.969 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CC#CCOC)C1 ZINC001480709917 1018792791 /nfs/dbraw/zinc/79/27/91/1018792791.db2.gz TZCAVTVTADHORM-CVEARBPZSA-N 2 0 309.454 0.995 20 30 DCEDRP C=C(C)C[N@@H+]1CCC[C@@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001501359615 1019097440 /nfs/dbraw/zinc/09/74/40/1019097440.db2.gz GFKJYORTIJQEEL-QGZVFWFLSA-N 2 0 307.438 0.601 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)CC#CCOC)C1 ZINC001494169343 1020042876 /nfs/dbraw/zinc/04/28/76/1020042876.db2.gz IVJHCTGJCNLRLO-INIZCTEOSA-N 2 0 309.454 0.758 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC001631783790 1171600130 /nfs/dbraw/zinc/60/01/30/1171600130.db2.gz KIGYYKKYNOFOOZ-HOCLYGCPSA-N 2 0 308.470 0.589 20 30 DCEDRP CN(C(=[NH2+])NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000181463399 237264700 /nfs/dbraw/zinc/26/47/00/237264700.db2.gz LIOKRVUIWNKGNX-MRXNPFEDSA-N 2 0 302.422 0.815 20 30 DCEDRP [NH2+]=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)N1CCOCC1 ZINC000264111730 238190753 /nfs/dbraw/zinc/19/07/53/238190753.db2.gz RAAHEBLDNLXBKB-INIZCTEOSA-N 2 0 318.421 0.053 20 30 DCEDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCCC#N ZINC000357167601 239026230 /nfs/dbraw/zinc/02/62/30/239026230.db2.gz IXTFVXQECKTRGN-UHFFFAOYSA-N 2 0 316.471 0.578 20 30 DCEDRP N#CC[C@]1(O)CC[NH+](CCCCC[N@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000592150793 397108014 /nfs/dbraw/zinc/10/80/14/397108014.db2.gz GPLXUEXPUVMDKW-IRXDYDNUSA-N 2 0 320.437 0.858 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000419725696 416406391 /nfs/dbraw/zinc/40/63/91/416406391.db2.gz IWMWDGWUFSUJDP-KGLIPLIRSA-N 2 0 322.453 0.352 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1 ZINC000419723955 416406532 /nfs/dbraw/zinc/40/65/32/416406532.db2.gz GKUASCLXWBICNB-ZFWWWQNUSA-N 2 0 322.453 0.339 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])NC1CCN(C(=O)OCC)CC1 ZINC000491414287 416599779 /nfs/dbraw/zinc/59/97/79/416599779.db2.gz BVMYRILNGDFAFS-UHFFFAOYSA-N 2 0 323.441 0.676 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000491503904 416604214 /nfs/dbraw/zinc/60/42/14/416604214.db2.gz FNTPZRXWLZRDCH-INIZCTEOSA-N 2 0 324.469 0.694 20 30 DCEDRP CC#CC[C@@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645294734 417726958 /nfs/dbraw/zinc/72/69/58/417726958.db2.gz JSAUKCTXICZNQD-CABCVRRESA-N 2 0 322.453 0.228 20 30 DCEDRP C=C[C@@H]1OCC[C@H]1CNC(=O)NCCN(C)CCC[NH+](C)C ZINC000665183329 418183496 /nfs/dbraw/zinc/18/34/96/418183496.db2.gz XUASDXQTGFKRSX-GJZGRUSLSA-N 2 0 312.458 0.760 20 30 DCEDRP CN(CCC[N@H+](C)CC(=O)NC1(C#N)CCC1)CC[NH+](C)C ZINC000344030981 289132099 /nfs/dbraw/zinc/13/20/99/289132099.db2.gz ONWVAIJGZNYMSO-UHFFFAOYSA-N 2 0 309.458 0.364 20 30 DCEDRP C[N@@H+]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000330215202 336125305 /nfs/dbraw/zinc/12/53/05/336125305.db2.gz GWEUUQXYKYYHGB-CVEARBPZSA-N 2 0 324.469 0.916 20 30 DCEDRP C#CCNC(=O)CC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000491154085 339851254 /nfs/dbraw/zinc/85/12/54/339851254.db2.gz GSWZJEQJLSWICN-IAGOWNOFSA-N 2 0 320.481 0.616 20 30 DCEDRP C[NH+]=C(NCCNC(=O)C(C)C)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262794137 526359221 /nfs/dbraw/zinc/35/92/21/526359221.db2.gz PDGMJQULMKOVTD-CQSZACIVSA-N 2 0 307.442 0.280 20 30 DCEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000261730103 526371890 /nfs/dbraw/zinc/37/18/90/526371890.db2.gz LKNDXXFSROPRTQ-HOTGVXAUSA-N 2 0 323.485 0.168 20 30 DCEDRP C[NH+]=C(NCc1ccc(C(N)=O)o1)NC1CC[NH+](C2CC2)CC1 ZINC000262429749 526381892 /nfs/dbraw/zinc/38/18/92/526381892.db2.gz SFXBWPJJRXSBOS-UHFFFAOYSA-N 2 0 319.409 0.670 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357090169 526601006 /nfs/dbraw/zinc/60/10/06/526601006.db2.gz ZUIQVONBQORROS-TZMCWYRMSA-N 2 0 308.426 0.708 20 30 DCEDRP CC(C)[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000185520876 527382808 /nfs/dbraw/zinc/38/28/08/527382808.db2.gz ZVMXYSXZPKICMZ-CQSZACIVSA-N 2 0 307.442 0.375 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cccc(C(N)=O)c1 ZINC000264311779 529074245 /nfs/dbraw/zinc/07/42/45/529074245.db2.gz VCAOCLMXZQJIEL-OAHLLOKOSA-N 2 0 317.437 0.717 20 30 DCEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC2CC[NH+](C)CC2)C1 ZINC000328775539 546039716 /nfs/dbraw/zinc/03/97/16/546039716.db2.gz KPZNPSMFCIMIBP-OAHLLOKOSA-N 2 0 312.458 0.941 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](CC#C)CC3)[C@@H]2C1 ZINC000979088025 660659487 /nfs/dbraw/zinc/65/94/87/660659487.db2.gz LKHDARRGXMGTET-NNZMDNLPSA-N 2 0 313.445 0.649 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001027889561 660889049 /nfs/dbraw/zinc/88/90/49/660889049.db2.gz CGWBHYQKISDXHN-HNNXBMFYSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)N2CCOCC2)C1 ZINC000980454773 660945806 /nfs/dbraw/zinc/94/58/06/660945806.db2.gz YVXSJLCINMIURG-HOTGVXAUSA-N 2 0 305.422 0.263 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)C[C@@H](C)O)C2)CC1 ZINC000980479406 660947370 /nfs/dbraw/zinc/94/73/70/660947370.db2.gz VTGXJFCAXBFETH-GDBMZVCRSA-N 2 0 307.438 0.245 20 30 DCEDRP C#CCC[N@H+]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000981185697 661096228 /nfs/dbraw/zinc/09/62/28/661096228.db2.gz BIITVFJZRFATNI-UHFFFAOYSA-N 2 0 317.437 0.616 20 30 DCEDRP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC000981688871 661195663 /nfs/dbraw/zinc/19/56/63/661195663.db2.gz GMERFQIWEIJJKF-HNNXBMFYSA-N 2 0 305.422 0.265 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CCO)CC1 ZINC000969156554 657513723 /nfs/dbraw/zinc/51/37/23/657513723.db2.gz WPMREFVRTTYMOH-KRWDZBQOSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CCCN1CCO[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000972431610 658759944 /nfs/dbraw/zinc/75/99/44/658759944.db2.gz SLZNMEDXJGOHID-NVXWUHKLSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)C[N@H+]1CC[C@@H](C)C1)CCO2 ZINC000949188893 661370768 /nfs/dbraw/zinc/37/07/68/661370768.db2.gz DPGSSIAHKXPAKC-MRXNPFEDSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001029001783 661929551 /nfs/dbraw/zinc/92/95/51/661929551.db2.gz CBTBHAZPBAKCBR-MRXNPFEDSA-N 2 0 301.434 0.793 20 30 DCEDRP C[NH+](C)[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)C1CC1 ZINC000261995690 661948917 /nfs/dbraw/zinc/94/89/17/661948917.db2.gz NQNQRJUIFAFYJQ-AWEZNQCLSA-N 2 0 317.441 0.254 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1nnc2ccccn21 ZINC000303792812 662457004 /nfs/dbraw/zinc/45/70/04/662457004.db2.gz YTHSZUXINXQUGT-ZDUSSCGKSA-N 2 0 315.425 0.660 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000900643154 663268850 /nfs/dbraw/zinc/26/88/50/663268850.db2.gz ALMLMYSSQBAOBU-UHFFFAOYSA-N 2 0 322.497 0.980 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911236028 664008843 /nfs/dbraw/zinc/00/88/43/664008843.db2.gz LHQIUSJCPIYNQS-HNNXBMFYSA-N 2 0 322.453 0.401 20 30 DCEDRP C=CC[NH+]1CC(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001031679022 665285465 /nfs/dbraw/zinc/28/54/65/665285465.db2.gz DELDWIWDSYVQAD-SJORKVTESA-N 2 0 321.465 0.967 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC001032837235 666289085 /nfs/dbraw/zinc/28/90/85/666289085.db2.gz YAUDBPUDVOSCEK-ZACQAIPSSA-N 2 0 319.449 0.701 20 30 DCEDRP C#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033142091 666559510 /nfs/dbraw/zinc/55/95/10/666559510.db2.gz PYKGXVNQXQSILU-SJORKVTESA-N 2 0 319.449 0.796 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC#C)C[C@@H]2C)CC1 ZINC000945184202 666580466 /nfs/dbraw/zinc/58/04/66/666580466.db2.gz VNFOIZLXVAXIOP-DOTOQJQBSA-N 2 0 301.434 0.791 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033278511 666659195 /nfs/dbraw/zinc/65/91/95/666659195.db2.gz POMVKSJNHABXKA-GARNVTTQSA-N 2 0 317.433 0.406 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC1(C)C ZINC000996470819 666802064 /nfs/dbraw/zinc/80/20/64/666802064.db2.gz ITLWWMRRVNCHGM-OAHLLOKOSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1(C)C ZINC000996624937 666839831 /nfs/dbraw/zinc/83/98/31/666839831.db2.gz QJTBAVUZYHRQEI-CABCVRRESA-N 2 0 307.438 0.415 20 30 DCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001034754158 667134128 /nfs/dbraw/zinc/13/41/28/667134128.db2.gz SPMLQFHEBPKBQL-WKILWMFISA-N 2 0 317.437 0.709 20 30 DCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001036079693 667425533 /nfs/dbraw/zinc/42/55/33/667425533.db2.gz WDVQTCFJHHSKOS-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]2C1 ZINC000946861286 667462581 /nfs/dbraw/zinc/46/25/81/667462581.db2.gz DYUMZGZTYYDDNH-IYBDPMFKSA-N 2 0 301.434 0.886 20 30 DCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000867974263 667522343 /nfs/dbraw/zinc/52/23/43/667522343.db2.gz QSYRDOBUMOFWGZ-USXIJHARSA-N 2 0 310.401 0.955 20 30 DCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC3CCC1(C[NH3+])CC3)C2 ZINC000884379062 667534715 /nfs/dbraw/zinc/53/47/15/667534715.db2.gz MTLDXPZIXRZCIG-XWTIBIIYSA-N 2 0 302.422 0.856 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000876780893 668509724 /nfs/dbraw/zinc/50/97/24/668509724.db2.gz IXXNZVRONCSADV-CQSZACIVSA-N 2 0 316.877 0.990 20 30 DCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000876806729 668514514 /nfs/dbraw/zinc/51/45/14/668514514.db2.gz RRVWUTCBNVRUTM-AEFFLSMTSA-N 2 0 310.401 0.957 20 30 DCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000876857471 668522023 /nfs/dbraw/zinc/52/20/23/668522023.db2.gz SDDWVEHPJHPOIR-PVAVHDDUSA-N 2 0 310.401 0.955 20 30 DCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000876857472 668522067 /nfs/dbraw/zinc/52/20/67/668522067.db2.gz SDDWVEHPJHPOIR-UAGQMJEPSA-N 2 0 310.401 0.955 20 30 DCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000876863461 668522830 /nfs/dbraw/zinc/52/28/30/668522830.db2.gz GDKAPZMFAZMGKA-QWHCGFSZSA-N 2 0 308.332 0.844 20 30 DCEDRP C[NH+](C)C[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)C[C@H]1C[NH+](C)C ZINC000877144848 668567187 /nfs/dbraw/zinc/56/71/87/668567187.db2.gz XVVGVHPFJGXQDU-IAGOWNOFSA-N 3 0 320.481 0.187 20 30 DCEDRP C=CC[C@@]1(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)CCC[NH2+]1 ZINC000877251212 668584062 /nfs/dbraw/zinc/58/40/62/668584062.db2.gz JHBRTHPPLAOOCL-SFHVURJKSA-N 2 0 320.481 0.923 20 30 DCEDRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)CC3(C#N)CCOCC3)C[C@@H]2C1 ZINC000931442136 669204523 /nfs/dbraw/zinc/20/45/23/669204523.db2.gz VUNSCLNOSBUJHY-OWCLPIDISA-N 2 0 307.438 0.941 20 30 DCEDRP C[NH+](C)CC1(O)CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000931483285 669211110 /nfs/dbraw/zinc/21/11/10/669211110.db2.gz FWVMMHRNTAIRDP-INIZCTEOSA-N 2 0 303.406 0.980 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCO)[C@H](C)C2)CC1 ZINC000948070565 670053399 /nfs/dbraw/zinc/05/33/99/670053399.db2.gz QRJAEHBRBZAGKG-GDBMZVCRSA-N 2 0 307.438 0.293 20 30 DCEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000849105133 670758264 /nfs/dbraw/zinc/75/82/64/670758264.db2.gz CVUANYQMGZPGJO-MRXNPFEDSA-N 2 0 323.485 0.501 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000856429982 670819051 /nfs/dbraw/zinc/81/90/51/670819051.db2.gz ORMSOCIWAVCHFE-QGZVFWFLSA-N 2 0 321.465 0.901 20 30 DCEDRP C#C[C@](C)(CC)[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000852098485 671088239 /nfs/dbraw/zinc/08/82/39/671088239.db2.gz OMNZHJXRIDTRCH-NVXWUHKLSA-N 2 0 309.454 0.851 20 30 DCEDRP COc1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1C#N ZINC000819181868 671100986 /nfs/dbraw/zinc/10/09/86/671100986.db2.gz CRPFWDFWGLRMCN-MRXNPFEDSA-N 2 0 318.421 0.265 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000852870142 671180762 /nfs/dbraw/zinc/18/07/62/671180762.db2.gz JSFVIMGNKBNIDN-UHFFFAOYSA-N 2 0 305.422 0.313 20 30 DCEDRP CC[NH+]1CCN(CCCNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852873008 671181586 /nfs/dbraw/zinc/18/15/86/671181586.db2.gz NZZHHHYMKYSWEG-UHFFFAOYSA-N 2 0 306.454 0.133 20 30 DCEDRP C#C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1CCOCC1 ZINC000823181628 671376900 /nfs/dbraw/zinc/37/69/00/671376900.db2.gz LVAHYSADSKBGHX-INIZCTEOSA-N 2 0 324.469 0.550 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2C[C@H](C)O)CC1 ZINC001024812402 693836278 /nfs/dbraw/zinc/83/62/78/693836278.db2.gz OJHNPWQBAFMATF-RDJZCZTQSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC000958174898 687405745 /nfs/dbraw/zinc/40/57/45/687405745.db2.gz IXRHPMWFORYEOX-HZPDHXFCSA-N 2 0 319.449 0.295 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2C[C@@H](C)OC)CC1 ZINC001039042222 694284320 /nfs/dbraw/zinc/28/43/20/694284320.db2.gz NRBUNUFIMRDLMT-ZBFHGGJFSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCOC)CC[C@H]2C)CC1 ZINC000968681621 690365005 /nfs/dbraw/zinc/36/50/05/690365005.db2.gz KQGGCSTWVHQBEQ-WBVHZDCISA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCO)CC[C@H]2C)CC1 ZINC000968682940 690365229 /nfs/dbraw/zinc/36/52/29/690365229.db2.gz WKNANCZBGUFZNR-NVXWUHKLSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001007360089 690668772 /nfs/dbraw/zinc/66/87/72/690668772.db2.gz KIUDCVGCBDYVRX-HNNXBMFYSA-N 2 0 317.437 0.662 20 30 DCEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015322984 692263658 /nfs/dbraw/zinc/26/36/58/692263658.db2.gz GLBHDFVLEKVBOB-DGNOSDGRSA-N 2 0 305.422 0.616 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCOC3)C2)CC1 ZINC001016330481 692654220 /nfs/dbraw/zinc/65/42/20/692654220.db2.gz GSECATUKCQYXEU-WBVHZDCISA-N 2 0 319.449 0.559 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001073661693 694761503 /nfs/dbraw/zinc/76/15/03/694761503.db2.gz BSSQWVFYEJZVKO-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]C[C@@H](C)CC)CC1 ZINC001571448338 1162763007 /nfs/dbraw/zinc/76/30/07/1162763007.db2.gz SSYJKGCYZZMCGJ-GOEBONIOSA-N 2 0 309.454 0.444 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001571587834 1162831627 /nfs/dbraw/zinc/83/16/27/1162831627.db2.gz QVXMGSQDXOOSOO-CVEARBPZSA-N 2 0 309.454 0.541 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001691154522 1157600147 /nfs/dbraw/zinc/60/01/47/1157600147.db2.gz QNLFTKSVUJVJEU-BBWFWOEESA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001755443790 1158141476 /nfs/dbraw/zinc/14/14/76/1158141476.db2.gz DEFWXJLDIKZXSI-CABCVRRESA-N 2 0 309.454 0.803 20 30 DCEDRP C=CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001691528454 1158214299 /nfs/dbraw/zinc/21/42/99/1158214299.db2.gz PSUVVDRUDJBBCS-BZUAXINKSA-N 2 0 309.454 0.798 20 30 DCEDRP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001691535295 1158317565 /nfs/dbraw/zinc/31/75/65/1158317565.db2.gz DOVILJFGADSACY-QGZVFWFLSA-N 2 0 321.465 0.637 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127082036 1158436059 /nfs/dbraw/zinc/43/60/59/1158436059.db2.gz JTOYXKVDOASROA-ZIAGYGMSSA-N 2 0 310.442 0.256 20 30 DCEDRP C#CCC[NH+]1CCN(CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001566643756 1160108455 /nfs/dbraw/zinc/10/84/55/1160108455.db2.gz SSMVMBBKGPSGAU-QGZVFWFLSA-N 2 0 322.497 0.720 20 30 DCEDRP CC[C@H](C(=O)NC[C@H]1CCC[N@H+](CC#CCOC)C1)[NH+](C)C ZINC001566879250 1160175075 /nfs/dbraw/zinc/17/50/75/1160175075.db2.gz IPKRTQZYUDNJAO-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[NH2+]CCOC)C2)CC1 ZINC001566913391 1160182339 /nfs/dbraw/zinc/18/23/39/1160182339.db2.gz OXMVBQKWGQLRDV-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001567105888 1160241749 /nfs/dbraw/zinc/24/17/49/1160241749.db2.gz ABUZOPIOSIWYPH-KBPBESRZSA-N 2 0 310.442 0.209 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001568362576 1160635217 /nfs/dbraw/zinc/63/52/17/1160635217.db2.gz IHOOGCLJSXMDOO-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCC[NH2+]C1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001569883913 1161293635 /nfs/dbraw/zinc/29/36/35/1161293635.db2.gz HWXQMGFJAQBBPE-INIZCTEOSA-N 2 0 308.470 0.827 20 30 DCEDRP C=CC[NH2+]C1CCN(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001569886639 1161295612 /nfs/dbraw/zinc/29/56/12/1161295612.db2.gz IQHHPWCJBAXOJJ-UHFFFAOYSA-N 2 0 308.470 0.827 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCCO)CC1 ZINC001570040445 1161391707 /nfs/dbraw/zinc/39/17/07/1161391707.db2.gz RBWLBUBZVGSIOP-ULQDDVLXSA-N 2 0 321.465 0.731 20 30 DCEDRP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001570167366 1161468930 /nfs/dbraw/zinc/46/89/30/1161468930.db2.gz OFGGJNKWOQGFQS-QGZVFWFLSA-N 2 0 320.481 0.570 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001570291196 1161548344 /nfs/dbraw/zinc/54/83/44/1161548344.db2.gz MPNPKZFGDAIBJN-WBVHZDCISA-N 2 0 307.438 0.295 20 30 DCEDRP C[N@H+](CCCO)C1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC001578469370 1165025462 /nfs/dbraw/zinc/02/54/62/1165025462.db2.gz YYSAZIBOHMXPHD-UHFFFAOYSA-N 2 0 307.438 0.295 20 30 DCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H](O)C[NH+]1CCCCC1)C2 ZINC001580044101 1165484465 /nfs/dbraw/zinc/48/44/65/1165484465.db2.gz WBVPCHYFTGFIKE-GWUWNPHMSA-N 2 0 320.437 0.089 20 30 DCEDRP C[NH+](C)C1(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CCOCC1 ZINC001646149834 1172274549 /nfs/dbraw/zinc/27/45/49/1172274549.db2.gz CTVRWOZSXQUQER-BBBYJDLNSA-N 2 0 320.437 0.353 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001656138036 1173844564 /nfs/dbraw/zinc/84/45/64/1173844564.db2.gz QRERSSIHNHGMLZ-IXDOHACOSA-N 2 0 321.465 0.995 20 30 DCEDRP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001656780279 1173883451 /nfs/dbraw/zinc/88/34/51/1173883451.db2.gz SQILACRHBGXJDA-CVEARBPZSA-N 2 0 309.454 0.635 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001661742928 1174153315 /nfs/dbraw/zinc/15/33/15/1174153315.db2.gz HFQCYTHRRPKXAG-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CC[C@H]2CCOC2)CC1 ZINC001662424914 1174208439 /nfs/dbraw/zinc/20/84/39/1174208439.db2.gz OWJSCYULKYQJSK-HOTGVXAUSA-N 2 0 321.465 0.853 20 30 DCEDRP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001662685174 1174232015 /nfs/dbraw/zinc/23/20/15/1174232015.db2.gz DAFUIOGLXKIRBG-HZPDHXFCSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CCN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](CCOC)CC1 ZINC001671492081 1175015564 /nfs/dbraw/zinc/01/55/64/1175015564.db2.gz QGSZPQGNJSYMBJ-UHFFFAOYSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CCN(C(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CCCO)CC1 ZINC001671504102 1175015812 /nfs/dbraw/zinc/01/58/12/1175015812.db2.gz OAPAETIOBDELCS-UHFFFAOYSA-N 2 0 319.449 0.391 20 30 DCEDRP C#CC[NH2+]C1CCN(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001672455715 1175109343 /nfs/dbraw/zinc/10/93/43/1175109343.db2.gz NYQJSEFANNPZTI-UHFFFAOYSA-N 2 0 306.454 0.274 20 30 DCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CCO1 ZINC001673327610 1175191500 /nfs/dbraw/zinc/19/15/00/1175191500.db2.gz WFSKWOKMGFNJSL-HNNXBMFYSA-N 2 0 311.426 0.100 20 30 DCEDRP C=CCC[NH+]1CCN([C@H]2CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001673352495 1175194934 /nfs/dbraw/zinc/19/49/34/1175194934.db2.gz MYHDANNQSMSTSW-INIZCTEOSA-N 2 0 308.470 0.733 20 30 DCEDRP C[C@@H]1C[N@@H+](CCCNC(=O)NCC#CC[NH+](C)C)C[C@H](C)O1 ZINC001674965524 1175313282 /nfs/dbraw/zinc/31/32/82/1175313282.db2.gz XAZKGNFQZBIURA-GASCZTMLSA-N 2 0 310.442 0.350 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001675598863 1175377549 /nfs/dbraw/zinc/37/75/49/1175377549.db2.gz JYDVPHGQNHFUOR-GJZGRUSLSA-N 2 0 305.422 0.454 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001676423837 1175444996 /nfs/dbraw/zinc/44/49/96/1175444996.db2.gz KJPKOGYGRDNUBH-ZIAGYGMSSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCOC)C(C)(C)C2)CC1 ZINC001677042890 1175514474 /nfs/dbraw/zinc/51/44/74/1175514474.db2.gz JQTFEXBVQDZJQB-INIZCTEOSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCCO)C(C)(C)C)CC1 ZINC001677306070 1175553682 /nfs/dbraw/zinc/55/36/82/1175553682.db2.gz ANBJLLYBDBQEKO-MRXNPFEDSA-N 2 0 323.481 0.835 20 30 DCEDRP C=CC[N@H+]1CC=C(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001677632249 1175587736 /nfs/dbraw/zinc/58/77/36/1175587736.db2.gz JITBDUFKXGYENG-OAHLLOKOSA-N 2 0 307.438 0.889 20 30 DCEDRP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001688918674 1176655306 /nfs/dbraw/zinc/65/53/06/1176655306.db2.gz KPXCDJIDMNBCBQ-WOVMCDHWSA-N 2 0 301.434 0.839 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001688947404 1176663339 /nfs/dbraw/zinc/66/33/39/1176663339.db2.gz BSWZUFOMXVICBX-QAQDUYKDSA-N 2 0 321.465 0.853 20 30 DCEDRP C=CC[NH+]1CCN(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001690073371 1177162826 /nfs/dbraw/zinc/16/28/26/1177162826.db2.gz RTSDDNZSZHECST-JKSUJKDBSA-N 2 0 308.470 0.637 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001690477378 1177252469 /nfs/dbraw/zinc/25/24/69/1177252469.db2.gz LRXZWDOFVRDHPS-AWEZNQCLSA-N 2 0 310.442 0.211 20 30 DCEDRP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001690751492 1177318359 /nfs/dbraw/zinc/31/83/59/1177318359.db2.gz LXOIYTONUBQMJL-HNNXBMFYSA-N 2 0 307.438 0.723 20 30 DCEDRP C#CCC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001692241241 1177456783 /nfs/dbraw/zinc/45/67/83/1177456783.db2.gz HELMWTISWFXHHU-DLBZAZTESA-N 2 0 321.465 0.637 20 30 DCEDRP C#CCC[NH+](CCO)[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001692245155 1177459095 /nfs/dbraw/zinc/45/90/95/1177459095.db2.gz MCJGTUPZLIIKJJ-SJORKVTESA-N 2 0 321.465 0.637 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001698756015 1177637078 /nfs/dbraw/zinc/63/70/78/1177637078.db2.gz XFZWRLWVEMZVBM-MRXNPFEDSA-N 2 0 321.465 0.854 20 30 DCEDRP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CCOC)CC1 ZINC001699783459 1178285737 /nfs/dbraw/zinc/28/57/37/1178285737.db2.gz XWWASKGJOFFGBA-NVXWUHKLSA-N 2 0 321.465 0.899 20 30 DCEDRP C#CC[NH2+]CC(C)(C)CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001700440054 1178615820 /nfs/dbraw/zinc/61/58/20/1178615820.db2.gz LOHGYZCDVRCWAE-UHFFFAOYSA-N 2 0 319.453 0.766 20 30 DCEDRP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001700683646 1178704513 /nfs/dbraw/zinc/70/45/13/1178704513.db2.gz GLNHIXSFOSBUNV-OAHLLOKOSA-N 2 0 307.438 0.607 20 30 DCEDRP CC#CC[N@H+](C)CCOCCNC(=O)[C@@H]1CCn2cncc2C1 ZINC001700703690 1178713591 /nfs/dbraw/zinc/71/35/91/1178713591.db2.gz BDFWYBCUGPQCCL-OAHLLOKOSA-N 2 0 318.421 0.533 20 30 DCEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001700939712 1178817860 /nfs/dbraw/zinc/81/78/60/1178817860.db2.gz SSORGYHFQFGUAH-HOTGVXAUSA-N 2 0 309.454 0.988 20 30 DCEDRP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001707209059 1180436225 /nfs/dbraw/zinc/43/62/25/1180436225.db2.gz NZCQISSCDJNPSQ-YESZJQIVSA-N 2 0 321.465 0.635 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001713220693 1180725652 /nfs/dbraw/zinc/72/56/52/1180725652.db2.gz PZDVXZBMQBNKRN-CABCVRRESA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001713380477 1180791987 /nfs/dbraw/zinc/79/19/87/1180791987.db2.gz FGSGTQIKMPAGPL-HUUCEWRRSA-N 2 0 322.453 0.401 20 30 DCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001713922908 1181150971 /nfs/dbraw/zinc/15/09/71/1181150971.db2.gz XLNMRCKYRIPQHV-AWEZNQCLSA-N 2 0 303.410 0.272 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001714019702 1181206280 /nfs/dbraw/zinc/20/62/80/1181206280.db2.gz AYASUESXMLRNEF-ZQDZILKHSA-N 2 0 322.453 0.398 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001714049685 1181225492 /nfs/dbraw/zinc/22/54/92/1181225492.db2.gz PZDVXZBMQBNKRN-HUUCEWRRSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001714049687 1181226960 /nfs/dbraw/zinc/22/69/60/1181226960.db2.gz PZDVXZBMQBNKRN-LSDHHAIUSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCC[C@H](C)O)C2)CC1 ZINC001714334993 1181324254 /nfs/dbraw/zinc/32/42/54/1181324254.db2.gz ZYJCGOJFKYQUSZ-RDJZCZTQSA-N 2 0 321.465 0.683 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001714625855 1181448958 /nfs/dbraw/zinc/44/89/58/1181448958.db2.gz ULIABKFHUFQPDP-MGPQQGTHSA-N 2 0 310.442 0.065 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC#CCOC)C1 ZINC001714634338 1181453464 /nfs/dbraw/zinc/45/34/64/1181453464.db2.gz LYSAVRDRELSWHQ-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+][C@@H](C)COC)CC1 ZINC001715085234 1181683993 /nfs/dbraw/zinc/68/39/93/1181683993.db2.gz KVWVBKLJMVYMRG-HOCLYGCPSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+][C@@H](C)COC)CC1 ZINC001715270629 1181745639 /nfs/dbraw/zinc/74/56/39/1181745639.db2.gz GPUHNNXFIGQDHP-CABCVRRESA-N 2 0 309.454 0.708 20 30 DCEDRP CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001716106681 1182194307 /nfs/dbraw/zinc/19/43/07/1182194307.db2.gz DCYJQLCNMGXLGX-IAGOWNOFSA-N 2 0 317.433 0.445 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)CC#CCOC)CC[N@@H+]1C ZINC001716479952 1182405758 /nfs/dbraw/zinc/40/57/58/1182405758.db2.gz JZDSIVHMLMQJJL-OWCLPIDISA-N 2 0 309.454 0.803 20 30 DCEDRP C#CCN(C(=O)C[N@@H+](C)C1CCC1)C1CC[NH+](CCCO)CC1 ZINC001716806498 1182531757 /nfs/dbraw/zinc/53/17/57/1182531757.db2.gz BVNHNHIJLTWHPY-UHFFFAOYSA-N 2 0 321.465 0.779 20 30 DCEDRP C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001717013024 1182622303 /nfs/dbraw/zinc/62/23/03/1182622303.db2.gz USMOBSKZTKJKMJ-CALCHBBNSA-N 2 0 321.465 0.921 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CCO1 ZINC001717172529 1182708679 /nfs/dbraw/zinc/70/86/79/1182708679.db2.gz JBXORHBSNSFUJO-AWEZNQCLSA-N 2 0 321.446 0.874 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CCO1 ZINC001717182224 1182715801 /nfs/dbraw/zinc/71/58/01/1182715801.db2.gz BQKNCPZRUOVARX-QGZVFWFLSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CCC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCOCC1 ZINC001717266958 1182758659 /nfs/dbraw/zinc/75/86/59/1182758659.db2.gz UMMQGJOTESRPJE-HOTGVXAUSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[NH2+]CC(C)C)CC1 ZINC001717933749 1183072008 /nfs/dbraw/zinc/07/20/08/1183072008.db2.gz WTOSZHUOEGYPIZ-MRXNPFEDSA-N 2 0 309.454 0.397 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+][C@H](C)COC)C2)CC1 ZINC001718001095 1183102098 /nfs/dbraw/zinc/10/20/98/1183102098.db2.gz ZSVABSUYRLWMDC-ODIFPOPNSA-N 2 0 321.465 0.946 20 30 DCEDRP CC#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001724129111 1184380757 /nfs/dbraw/zinc/38/07/57/1184380757.db2.gz NUWHBTFTFWQBEJ-KRWDZBQOSA-N 2 0 320.481 0.570 20 30 DCEDRP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001724129112 1184381303 /nfs/dbraw/zinc/38/13/03/1184381303.db2.gz NUWHBTFTFWQBEJ-QGZVFWFLSA-N 2 0 320.481 0.570 20 30 DCEDRP C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001724669466 1184508639 /nfs/dbraw/zinc/50/86/39/1184508639.db2.gz KSCVCHGNWWUWSY-QGZVFWFLSA-N 2 0 321.465 0.827 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001724760629 1184545248 /nfs/dbraw/zinc/54/52/48/1184545248.db2.gz RQCDBFPSICROSO-UHFFFAOYSA-N 2 0 322.453 0.165 20 30 DCEDRP C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001724840645 1184589057 /nfs/dbraw/zinc/58/90/57/1184589057.db2.gz XYKHGPJUUDMOMY-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@@H+](C)CCOC)CC1 ZINC001724860332 1184595577 /nfs/dbraw/zinc/59/55/77/1184595577.db2.gz MVNXJDUVJLTJBV-UHFFFAOYSA-N 2 0 309.454 0.758 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001724905674 1184613696 /nfs/dbraw/zinc/61/36/96/1184613696.db2.gz ONURRYDNDULTJU-QGZVFWFLSA-N 2 0 319.449 0.581 20 30 DCEDRP COCC#CC[N@H+](C)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001725170952 1184706667 /nfs/dbraw/zinc/70/66/67/1184706667.db2.gz MLWKLFVNAYTWHL-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001725271022 1184745892 /nfs/dbraw/zinc/74/58/92/1184745892.db2.gz XWVZZPDFCKRNAR-LSDHHAIUSA-N 2 0 309.454 0.967 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001725518862 1184855350 /nfs/dbraw/zinc/85/53/50/1184855350.db2.gz VCLAKNQTKIDREZ-UONOGXRCSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]C[C@H](C)OC)CC1 ZINC001725523075 1184856210 /nfs/dbraw/zinc/85/62/10/1184856210.db2.gz LIJJKSDWLOUEAU-CABCVRRESA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001725716362 1184964814 /nfs/dbraw/zinc/96/48/14/1184964814.db2.gz XHPAPDMISQDOJE-CVEARBPZSA-N 2 0 309.454 0.655 20 30 DCEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001731383668 1185312169 /nfs/dbraw/zinc/31/21/69/1185312169.db2.gz UMGADCWGCJJNKN-MRXNPFEDSA-N 2 0 319.449 0.701 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](CC#C)CC1 ZINC001732632050 1185881034 /nfs/dbraw/zinc/88/10/34/1185881034.db2.gz XHKSAEWTDNKULC-DLBZAZTESA-N 2 0 301.434 0.839 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCC[C@@H](C)O)CC1 ZINC001733067978 1186124714 /nfs/dbraw/zinc/12/47/14/1186124714.db2.gz SWVAXBSEBIIECT-JKSUJKDBSA-N 2 0 323.481 0.929 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC#C)CC2)CCO1 ZINC001733751934 1186431889 /nfs/dbraw/zinc/43/18/89/1186431889.db2.gz PHBGFRZFAQDOEC-QGZVFWFLSA-N 2 0 317.433 0.172 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001733983713 1186515621 /nfs/dbraw/zinc/51/56/21/1186515621.db2.gz KLWIZSJLYAVQEU-CABCVRRESA-N 2 0 307.438 0.747 20 30 DCEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001734363428 1186624926 /nfs/dbraw/zinc/62/49/26/1186624926.db2.gz YNYCEVMANAWSON-IRXDYDNUSA-N 2 0 315.417 0.199 20 30 DCEDRP C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001734482084 1186663393 /nfs/dbraw/zinc/66/33/93/1186663393.db2.gz HWYFUWIAJQTMDJ-GOEBONIOSA-N 2 0 317.437 0.566 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[NH2+]CCC(C)C)CC1 ZINC001734539134 1186683733 /nfs/dbraw/zinc/68/37/33/1186683733.db2.gz ZAKUJRKQUDFEMB-QGZVFWFLSA-N 2 0 323.481 0.787 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001752357583 1188417501 /nfs/dbraw/zinc/41/75/01/1188417501.db2.gz WEXVBUTVHKEKTN-MRXNPFEDSA-N 2 0 308.470 0.638 20 30 DCEDRP C=CC[NH+]1CCN(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001752382193 1188420502 /nfs/dbraw/zinc/42/05/02/1188420502.db2.gz ZBULYZJTAXYPBO-MRXNPFEDSA-N 2 0 308.470 0.781 20 30 DCEDRP C=CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001752925866 1188462973 /nfs/dbraw/zinc/46/29/73/1188462973.db2.gz DMHJLISDOGFZPN-AWEZNQCLSA-N 2 0 310.442 0.069 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H](CC)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001753495820 1188609610 /nfs/dbraw/zinc/60/96/10/1188609610.db2.gz YRODCJYRPMGYSJ-HUUCEWRRSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCOCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001753692155 1188641894 /nfs/dbraw/zinc/64/18/94/1188641894.db2.gz KLGUQGUDZUZAJD-ZBFHGGJFSA-N 2 0 309.454 0.967 20 30 DCEDRP COCC#CC[NH2+]C/C=C\CNC(=O)C12CCC[NH+]1CCC2 ZINC001754143262 1188758130 /nfs/dbraw/zinc/75/81/30/1188758130.db2.gz ITFRFIRRRLHQQZ-IHWYPQMZSA-N 2 0 305.422 0.527 20 30 DCEDRP CC#CC[N@H+](C)C[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001754308742 1188817282 /nfs/dbraw/zinc/81/72/82/1188817282.db2.gz FIXODVKZDKZYJT-AWEZNQCLSA-N 2 0 305.426 0.518 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001754309106 1188817413 /nfs/dbraw/zinc/81/74/13/1188817413.db2.gz HYDTVZAJDOYYTC-HOCLYGCPSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001754379289 1188837919 /nfs/dbraw/zinc/83/79/19/1188837919.db2.gz PHIIDZAMTWIGAB-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC#CCOC)C[C@@H]2C1 ZINC001754846749 1188947123 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0.082 20 30 DCEDRP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001755801209 1189222319 /nfs/dbraw/zinc/22/23/19/1189222319.db2.gz WQVVZVYTJZWQJY-HZPDHXFCSA-N 2 0 307.438 0.103 20 30 DCEDRP COCC#CC[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001167225384 747026520 /nfs/dbraw/zinc/02/65/20/747026520.db2.gz SZDHVWJFJGYNIW-MRXNPFEDSA-N 2 0 321.465 0.997 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168022682 749046946 /nfs/dbraw/zinc/04/69/46/749046946.db2.gz PYYRACYMWFNAAY-GJZGRUSLSA-N 2 0 322.453 0.401 20 30 DCEDRP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001077132336 750218140 /nfs/dbraw/zinc/21/81/40/750218140.db2.gz UDQXBLVOFDVMLN-ARFHVFGLSA-N 2 0 307.438 0.434 20 30 DCEDRP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001046567402 751031739 /nfs/dbraw/zinc/03/17/39/751031739.db2.gz IOEIAFKVPUGMEK-WBVHZDCISA-N 2 0 307.438 0.700 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C 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/nfs/dbraw/zinc/19/68/45/753196845.db2.gz MUXPEXFWYNGVMV-CVEARBPZSA-N 2 0 319.449 0.844 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001046035822 753439358 /nfs/dbraw/zinc/43/93/58/753439358.db2.gz ULAWPKOAYDNCQR-MRXNPFEDSA-N 2 0 318.465 0.322 20 30 DCEDRP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001046037881 753440462 /nfs/dbraw/zinc/44/04/62/753440462.db2.gz BDINGJIJVOGLMT-IAGOWNOFSA-N 2 0 320.481 0.568 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3ncc[nH]3)CC2)C1 ZINC001046074294 753465042 /nfs/dbraw/zinc/46/50/42/753465042.db2.gz XHSDTLKXVDTKKM-HNNXBMFYSA-N 2 0 317.437 0.747 20 30 DCEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001047379883 754226814 /nfs/dbraw/zinc/22/68/14/754226814.db2.gz QYKSRJXOCOJKFW-HOTGVXAUSA-N 2 0 321.465 0.778 20 30 DCEDRP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 ZINC001048537051 754797251 /nfs/dbraw/zinc/79/72/51/754797251.db2.gz HJQQTAASFPKWKK-NQNKBUKLSA-N 2 0 319.449 0.698 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081670424 756750455 /nfs/dbraw/zinc/75/04/55/756750455.db2.gz SDHQUGYKJWXYJD-ARFHVFGLSA-N 2 0 305.422 0.167 20 30 DCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)CC1 ZINC001050633350 757913250 /nfs/dbraw/zinc/91/32/50/757913250.db2.gz RJCRKHPIKZVKCV-MRXNPFEDSA-N 2 0 319.449 0.653 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)C[C@@H]21 ZINC001084911279 758120639 /nfs/dbraw/zinc/12/06/39/758120639.db2.gz UXCVOCSRQVTJGC-OWCLPIDISA-N 2 0 305.422 0.263 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001098392249 759231926 /nfs/dbraw/zinc/23/19/26/759231926.db2.gz ODGZOAJMXUWVHJ-QGZVFWFLSA-N 2 0 321.465 0.635 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731769 759245537 /nfs/dbraw/zinc/24/55/37/759245537.db2.gz KFLHJRXJCUOJRR-BNQMIIOLSA-N 2 0 319.449 0.958 20 30 DCEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001086373072 760110117 /nfs/dbraw/zinc/11/01/17/760110117.db2.gz KCDLGSACGPBMPV-YHUYYLMFSA-N 2 0 307.438 0.910 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001070565167 761318910 /nfs/dbraw/zinc/31/89/10/761318910.db2.gz HPYXKLRWGUSSFG-GOEBONIOSA-N 2 0 315.421 0.033 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001129770115 763007390 /nfs/dbraw/zinc/00/73/90/763007390.db2.gz BBZNBHRTZGKQSP-KRWDZBQOSA-N 2 0 310.401 0.862 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)c1c[nH+]ccc1N(C)C ZINC001171353766 768106898 /nfs/dbraw/zinc/10/68/98/768106898.db2.gz BRWNWGRZXITQMW-UHFFFAOYSA-N 2 0 304.394 0.507 20 30 DCEDRP C=CCOCC[NH2+]CCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130558673 763383009 /nfs/dbraw/zinc/38/30/09/763383009.db2.gz JSSVHHPKXYFAJZ-UHFFFAOYSA-N 2 0 306.410 0.816 20 30 DCEDRP COCC#CC[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001130656262 763421860 /nfs/dbraw/zinc/42/18/60/763421860.db2.gz MYVZJSOMTYKVDS-UHFFFAOYSA-N 2 0 300.362 0.612 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131062018 763623831 /nfs/dbraw/zinc/62/38/31/763623831.db2.gz RQRBQALUALZFRT-ZIAGYGMSSA-N 2 0 305.426 0.442 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001100562480 763656585 /nfs/dbraw/zinc/65/65/85/763656585.db2.gz OPZRQFYUXWLJJD-UHFFFAOYSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001100896958 763845724 /nfs/dbraw/zinc/84/57/24/763845724.db2.gz SXXAISVIIIFKNS-UHFFFAOYSA-N 2 0 324.469 0.505 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001098477640 764083097 /nfs/dbraw/zinc/08/30/97/764083097.db2.gz CTIFIJMIJMDZBR-INIZCTEOSA-N 2 0 321.465 0.637 20 30 DCEDRP C#CC[NH+](CCO)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001098478829 764361075 /nfs/dbraw/zinc/36/10/75/764361075.db2.gz FZUVKPMCRHEJKG-HNNXBMFYSA-N 2 0 307.438 0.389 20 30 DCEDRP COCC#CCN1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001132426155 764453080 /nfs/dbraw/zinc/45/30/80/764453080.db2.gz SMIVBXSRYJIPSR-JKSUJKDBSA-N 2 0 319.449 0.701 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001132743113 764620313 /nfs/dbraw/zinc/62/03/13/764620313.db2.gz UVTBAVRIJHPHGO-LSDHHAIUSA-N 2 0 324.469 0.505 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132985847 764770150 /nfs/dbraw/zinc/77/01/50/764770150.db2.gz UUDRVDOGWPVGAQ-GFCCVEGCSA-N 2 0 322.409 0.351 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001133091288 764822244 /nfs/dbraw/zinc/82/22/44/764822244.db2.gz QBTJPMNXSFGPQI-HOTGVXAUSA-N 2 0 309.454 0.662 20 30 DCEDRP C=C(Cl)C[NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134054473 765313333 /nfs/dbraw/zinc/31/33/33/765313333.db2.gz KTBPAOCUUDRTAC-ZDUSSCGKSA-N 2 0 303.834 0.946 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCCC2)C1 ZINC001111984565 765445141 /nfs/dbraw/zinc/44/51/41/765445141.db2.gz CQSXSUQTGOOSLN-WMZOPIPTSA-N 2 0 319.449 0.703 20 30 DCEDRP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115144177 765606373 /nfs/dbraw/zinc/60/63/73/765606373.db2.gz RROLMXAHJBFFMW-QLPKVWCKSA-N 2 0 309.454 0.967 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134768874 765662344 /nfs/dbraw/zinc/66/23/44/765662344.db2.gz GWSMTOWJHBRKEW-LSDHHAIUSA-N 2 0 324.469 0.646 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135882175 766149944 /nfs/dbraw/zinc/14/99/44/766149944.db2.gz IOZIOUYAPYABQJ-ZIAGYGMSSA-N 2 0 312.458 0.503 20 30 DCEDRP N#C/N=C1\SCCN1Cc1ccc(N[C@@H]([NH3+])CCC[NH3+])nc1 ZINC001170898850 766249629 /nfs/dbraw/zinc/24/96/29/766249629.db2.gz QDTDWXQBWURRQZ-NODXGKJPSA-N 2 0 319.438 0.903 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001090693755 766484345 /nfs/dbraw/zinc/48/43/45/766484345.db2.gz VDRNSUKAYKYLQZ-SJORKVTESA-N 2 0 321.465 0.682 20 30 DCEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001110107707 766545325 /nfs/dbraw/zinc/54/53/25/766545325.db2.gz SIQAUFNNSBGKFV-YVSFHVDLSA-N 2 0 319.449 0.700 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC=C)C[C@H]2O)CC1 ZINC001090829480 766648263 /nfs/dbraw/zinc/64/82/63/766648263.db2.gz BTDBIKVFSXDSOS-HZPDHXFCSA-N 2 0 305.422 0.069 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171160888 766865791 /nfs/dbraw/zinc/86/57/91/766865791.db2.gz JVDHPEIDLBDGOH-JKSUJKDBSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](O)C1 ZINC001099880059 767481646 /nfs/dbraw/zinc/48/16/46/767481646.db2.gz URGORNUFDKUORS-JKSUJKDBSA-N 2 0 309.454 0.988 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582702 767786517 /nfs/dbraw/zinc/78/65/17/767786517.db2.gz CSBFONUABGUOTK-HZPDHXFCSA-N 2 0 319.449 0.511 20 30 DCEDRP C=CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001092909309 768414017 /nfs/dbraw/zinc/41/40/17/768414017.db2.gz HFHBFCLJKFJCAS-OAGGEKHMSA-N 2 0 309.454 0.966 20 30 DCEDRP C#CC[NH2+]C1CCC2(CC1)CN(C(=O)C[NH+]1CCCC1)CCO2 ZINC001093413534 768563407 /nfs/dbraw/zinc/56/34/07/768563407.db2.gz XXIINQKZIOEAMX-UHFFFAOYSA-N 2 0 319.449 0.845 20 30 DCEDRP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001149849921 768883962 /nfs/dbraw/zinc/88/39/62/768883962.db2.gz XTHUMTBPZBNICU-CVEARBPZSA-N 2 0 307.438 0.557 20 30 DCEDRP C=C(C)CN1CC(n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001094338579 768997836 /nfs/dbraw/zinc/99/78/36/768997836.db2.gz LQVLIUNKIBSJFD-CYBMUJFWSA-N 2 0 318.425 0.279 20 30 DCEDRP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150192309 769034386 /nfs/dbraw/zinc/03/43/86/769034386.db2.gz CVSBZCXABCABEU-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)CCN2CCOCC2)C1 ZINC001150453433 769100255 /nfs/dbraw/zinc/10/02/55/769100255.db2.gz TYNZZCWHHGLMBS-HNNXBMFYSA-N 2 0 311.426 0.102 20 30 DCEDRP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150588629 769133135 /nfs/dbraw/zinc/13/31/35/769133135.db2.gz PZQNNGHFOKAJFX-HNNXBMFYSA-N 2 0 313.442 0.348 20 30 DCEDRP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606961 769137881 /nfs/dbraw/zinc/13/78/81/769137881.db2.gz MRHGXRJGLIUWII-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151073221 769253394 /nfs/dbraw/zinc/25/33/94/769253394.db2.gz GRLHSFWSJNLBLF-GJZGRUSLSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151361270 769320660 /nfs/dbraw/zinc/32/06/60/769320660.db2.gz CDGLUOBKXJNKGU-OAHLLOKOSA-N 2 0 322.453 0.096 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cnccc2C)CC1 ZINC001152334501 769528908 /nfs/dbraw/zinc/52/89/08/769528908.db2.gz FSNPMAXNDWPUJX-UHFFFAOYSA-N 2 0 314.433 0.941 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H](OCC)C2CC2)CC1 ZINC001152330036 769529714 /nfs/dbraw/zinc/52/97/14/769529714.db2.gz IESPIMGWFPFMDY-QGZVFWFLSA-N 2 0 321.465 0.853 20 30 DCEDRP N#Cc1ccc(Cl)c(S(=O)(=O)N(CC[NH3+])CC[NH3+])c1 ZINC001239097356 770178695 /nfs/dbraw/zinc/17/86/95/770178695.db2.gz QNJJZBIMAVZTTL-UHFFFAOYSA-N 2 0 302.787 0.120 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC[C@@H]2CCOC2)CC1 ZINC001176926874 770227565 /nfs/dbraw/zinc/22/75/65/770227565.db2.gz YMGFZSYEGYWHDD-MRXNPFEDSA-N 2 0 321.465 0.854 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001178990252 770923643 /nfs/dbraw/zinc/92/36/43/770923643.db2.gz OYBNYASQYPTIAU-MELADBBJSA-N 2 0 310.442 0.208 20 30 DCEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001179080583 770945055 /nfs/dbraw/zinc/94/50/55/770945055.db2.gz FKBFKTYQHIHMEP-UPTPFMHGSA-N 2 0 319.449 0.749 20 30 DCEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001183076328 771600665 /nfs/dbraw/zinc/60/06/65/771600665.db2.gz XSZZPKDITVPFTO-INIZCTEOSA-N 2 0 307.438 0.962 20 30 DCEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001183165093 771619756 /nfs/dbraw/zinc/61/97/56/771619756.db2.gz MOQOGULSZMTDAB-NVXWUHKLSA-N 2 0 309.454 0.662 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183449645 771650088 /nfs/dbraw/zinc/65/00/88/771650088.db2.gz BTQYMFRNMUFMQK-KFWWJZLASA-N 2 0 324.469 0.454 20 30 DCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2cc(CN(C)C)on2)C1 ZINC001183834237 771706532 /nfs/dbraw/zinc/70/65/32/771706532.db2.gz CPRGLZJVKCXQTA-CYBMUJFWSA-N 2 0 322.409 0.743 20 30 DCEDRP C[C@@H](Nc1ncc2c(c1C#N)CCC[NH2+]C2)[C@@H]1C[NH2+]CCO1 ZINC001159488469 771917867 /nfs/dbraw/zinc/91/78/67/771917867.db2.gz DKCGAVXGCLFJMA-ABAIWWIYSA-N 2 0 301.394 0.778 20 30 DCEDRP C#CC[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001186097912 772002820 /nfs/dbraw/zinc/00/28/20/772002820.db2.gz YGEMAYQHYGBVFE-DLBZAZTESA-N 2 0 321.465 0.947 20 30 DCEDRP C[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2C#N)CC1 ZINC001160456137 772043130 /nfs/dbraw/zinc/04/31/30/772043130.db2.gz CTLZGXIMGZHCPG-INIZCTEOSA-N 2 0 300.406 0.886 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)C1=O ZINC001186824926 772096140 /nfs/dbraw/zinc/09/61/40/772096140.db2.gz RBCRABUZMOJNDR-CABCVRRESA-N 2 0 322.453 0.306 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160862272 772127275 /nfs/dbraw/zinc/12/72/75/772127275.db2.gz KRVZFMRQDDGAGD-CABCVRRESA-N 2 0 322.453 0.401 20 30 DCEDRP C=CCOC(=O)N[C@H]1CCCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161536513 772241047 /nfs/dbraw/zinc/24/10/47/772241047.db2.gz FILOEDANUWXAKQ-KBPBESRZSA-N 2 0 324.425 0.217 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCOC)C2)CC1 ZINC001188092242 772264820 /nfs/dbraw/zinc/26/48/20/772264820.db2.gz SLUKYPZCVAUUEG-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)(COC)CC1 ZINC001162275556 772350971 /nfs/dbraw/zinc/35/09/71/772350971.db2.gz XSRBISPHXVEZFE-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190655186 772658819 /nfs/dbraw/zinc/65/88/19/772658819.db2.gz ONONMHMGAUMYDP-HOTGVXAUSA-N 2 0 307.438 0.509 20 30 DCEDRP C#CC[NH2+]CC1(CCNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001164572406 772682598 /nfs/dbraw/zinc/68/25/98/772682598.db2.gz NVGLGYUTQJBQFY-UHFFFAOYSA-N 2 0 317.437 0.568 20 30 DCEDRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC#CCOC)C12CCC2 ZINC001203649993 772918026 /nfs/dbraw/zinc/91/80/26/772918026.db2.gz DZZRJVJHYXGNAM-CVEARBPZSA-N 2 0 321.465 0.995 20 30 DCEDRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC#CCOC)C12CCC2 ZINC001203649996 772918427 /nfs/dbraw/zinc/91/84/27/772918427.db2.gz DZZRJVJHYXGNAM-HOTGVXAUSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+]CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001206125876 773049023 /nfs/dbraw/zinc/04/90/23/773049023.db2.gz KNCHHCCWVIRBDN-UHFFFAOYSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194041316 773143674 /nfs/dbraw/zinc/14/36/74/773143674.db2.gz XDHVCFBXEDLOKB-HUUCEWRRSA-N 2 0 322.453 0.306 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001208424013 773457784 /nfs/dbraw/zinc/45/77/84/773457784.db2.gz SLGIOUYAZAVOFR-CABCVRRESA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209315043 773590073 /nfs/dbraw/zinc/59/00/73/773590073.db2.gz NYQXQMLORFXNEO-AWEZNQCLSA-N 2 0 310.442 0.211 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001209641310 773628551 /nfs/dbraw/zinc/62/85/51/773628551.db2.gz IJJSNXNYKGYSFR-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001211233535 773784466 /nfs/dbraw/zinc/78/44/66/773784466.db2.gz HJKGZXXPVPOLCM-QGZVFWFLSA-N 2 0 301.434 0.936 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211284270 773790135 /nfs/dbraw/zinc/79/01/35/773790135.db2.gz KGYUPLGFOSOKLY-LSDHHAIUSA-N 2 0 324.469 0.598 20 30 DCEDRP C=CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001198097780 773854002 /nfs/dbraw/zinc/85/40/02/773854002.db2.gz HGSQXQMJXHEIIK-LSDHHAIUSA-N 2 0 322.453 0.163 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215540620 774081637 /nfs/dbraw/zinc/08/16/37/774081637.db2.gz OFGKSRGOCGOYJF-BZUAXINKSA-N 2 0 307.438 0.415 20 30 DCEDRP N#Cc1c2c(sc1NC(=O)[C@@H]1C[NH2+]CCCO1)C[NH2+]CC2 ZINC001218552316 774244621 /nfs/dbraw/zinc/24/46/21/774244621.db2.gz DQKKAUPAQAHJER-NSHDSACASA-N 2 0 306.391 0.582 20 30 DCEDRP COc1cccc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c1C#N ZINC001218977421 774339330 /nfs/dbraw/zinc/33/93/30/774339330.db2.gz BICWYVUVJFCUJJ-BDJLRTHQSA-N 2 0 300.362 0.704 20 30 DCEDRP COc1cccc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1C#N ZINC001218979200 774339706 /nfs/dbraw/zinc/33/97/06/774339706.db2.gz ZGVSOHLAPOQXMW-CYBMUJFWSA-N 2 0 317.393 0.256 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CCCO1 ZINC001200687959 774390590 /nfs/dbraw/zinc/39/05/90/774390590.db2.gz IMWSCDUSYZJRNC-IRXDYDNUSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CCCO1 ZINC001201402312 774500934 /nfs/dbraw/zinc/50/09/34/774500934.db2.gz CHFAIFYBUGYSJP-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220057612 774683535 /nfs/dbraw/zinc/68/35/35/774683535.db2.gz DQBXIXHUFHETCQ-IKGGRYGDSA-N 2 0 321.465 0.988 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001202495616 774721280 /nfs/dbraw/zinc/72/12/80/774721280.db2.gz GVPQOZGUDLWEME-CQSZACIVSA-N 2 0 322.453 0.211 20 30 DCEDRP COC(=O)c1ccc(C(=[NH2+])NC(O)=C(N)CCCC[NH3+])cc1 ZINC001220579497 774850411 /nfs/dbraw/zinc/85/04/11/774850411.db2.gz VEQVDXYQJZYGFP-LBPRGKRZSA-N 2 0 306.366 0.161 20 30 DCEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001220868231 774940046 /nfs/dbraw/zinc/94/00/46/774940046.db2.gz FFGRVIHYPAZFME-ULQDDVLXSA-N 2 0 320.481 0.827 20 30 DCEDRP C#C[C@](C)([NH3+])C(=O)NC1(c2cccc(OC)c2)CC[NH2+]CC1 ZINC001221096069 774995133 /nfs/dbraw/zinc/99/51/33/774995133.db2.gz NMNNWGHVHVSXCI-INIZCTEOSA-N 2 0 301.390 0.741 20 30 DCEDRP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222013446 775245623 /nfs/dbraw/zinc/24/56/23/775245623.db2.gz DULWFKDUOMXOPG-OWCLPIDISA-N 2 0 307.438 0.673 20 30 DCEDRP C=CCN(CC[N@@H+]1CCNC2(CC[NH2+]CC2)C1)C(=O)OCC ZINC001222086437 775265694 /nfs/dbraw/zinc/26/56/94/775265694.db2.gz XNAOYPIRSXHRLH-UHFFFAOYSA-N 2 0 310.442 0.658 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC001114518602 775894144 /nfs/dbraw/zinc/89/41/44/775894144.db2.gz LIIUVGHWIWWWIY-ZSHCYNCHSA-N 2 0 317.433 0.311 20 30 DCEDRP COCC#CC[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001227816212 776010897 /nfs/dbraw/zinc/01/08/97/776010897.db2.gz BZXPAKPQZCIHFE-INIZCTEOSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCNC(=O)CN1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001229185328 776166658 /nfs/dbraw/zinc/16/66/58/776166658.db2.gz LIOKNMWNUWOJDI-CQSZACIVSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+](CC)CC ZINC001229231768 776172079 /nfs/dbraw/zinc/17/20/79/776172079.db2.gz URRHKAHEZIPOBX-HUUCEWRRSA-N 2 0 322.453 0.095 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001114832520 776203019 /nfs/dbraw/zinc/20/30/19/776203019.db2.gz SNXDGWNVTPIUIG-LJIGWXMPSA-N 2 0 305.422 0.024 20 30 DCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001230149660 776258835 /nfs/dbraw/zinc/25/88/35/776258835.db2.gz PGKDPULOOQOGSE-ARFHVFGLSA-N 2 0 307.438 0.605 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001266290258 939053028 /nfs/dbraw/zinc/05/30/28/939053028.db2.gz SPCZYOLZEJEXGB-INIZCTEOSA-N 2 0 308.470 0.781 20 30 DCEDRP C#CC[NH2+]C1CCN(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001279454161 939177237 /nfs/dbraw/zinc/17/72/37/939177237.db2.gz XGUHTABQTQECHT-IYBDPMFKSA-N 2 0 320.481 0.663 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266701860 939214987 /nfs/dbraw/zinc/21/49/87/939214987.db2.gz HKSIVDHXAAGDLJ-DZGCQCFKSA-N 2 0 322.453 0.067 20 30 DCEDRP C=CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267001220 939303566 /nfs/dbraw/zinc/30/35/66/939303566.db2.gz LLGMBCNRHUXXDZ-HUUCEWRRSA-N 2 0 322.453 0.211 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001267044527 939322004 /nfs/dbraw/zinc/32/20/04/939322004.db2.gz JLJOEKSOEVNLCS-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CC#CC)C2)CC1 ZINC001267069758 939330360 /nfs/dbraw/zinc/33/03/60/939330360.db2.gz CWUQCTNKWNCTCQ-INIZCTEOSA-N 2 0 301.434 0.793 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001267071279 939331038 /nfs/dbraw/zinc/33/10/38/939331038.db2.gz UEZCJZRKRQOKBZ-GJZGRUSLSA-N 2 0 324.469 0.455 20 30 DCEDRP C=C(Br)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267071122 939331186 /nfs/dbraw/zinc/33/11/86/939331186.db2.gz DQPFVCUSUUCRQO-LLVKDONJSA-N 2 0 304.232 0.895 20 30 DCEDRP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001267087283 939336196 /nfs/dbraw/zinc/33/61/96/939336196.db2.gz YQVOLHKMMBBCDA-HZPDHXFCSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001481069878 939547272 /nfs/dbraw/zinc/54/72/72/939547272.db2.gz CGENZOIDJPEXQZ-HOTGVXAUSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001268072936 939924836 /nfs/dbraw/zinc/92/48/36/939924836.db2.gz RPYWAEMTQYVXBO-AWEZNQCLSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1C ZINC001279114207 940421262 /nfs/dbraw/zinc/42/12/62/940421262.db2.gz QKGRHLLLBAHPEB-JKSUJKDBSA-N 2 0 321.465 0.662 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001269437765 940706997 /nfs/dbraw/zinc/70/69/97/940706997.db2.gz UYTWNKSKQATRQV-UHFFFAOYSA-N 2 0 319.449 0.751 20 30 DCEDRP COCC#CC[NH2+]CC1(NC(=O)C2(C[NH+](C)C)CC2)CCCC1 ZINC001269572612 940734210 /nfs/dbraw/zinc/73/42/10/940734210.db2.gz YWEDSNLLIORSQR-UHFFFAOYSA-N 2 0 321.465 0.997 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)C[N@H+](C)C1CCC1)C(C)C ZINC001482531596 941460225 /nfs/dbraw/zinc/46/02/25/941460225.db2.gz AZUOTWFLBVAPJC-INIZCTEOSA-N 2 0 309.454 0.851 20 30 DCEDRP C=C(C)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001271957922 941491553 /nfs/dbraw/zinc/49/15/53/941491553.db2.gz KNIBWFIWQZAAMA-WMZOPIPTSA-N 2 0 321.465 0.847 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001482691253 941625896 /nfs/dbraw/zinc/62/58/96/941625896.db2.gz BSABBBAMFVZTLE-GDBMZVCRSA-N 2 0 307.438 0.605 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001482768713 941663331 /nfs/dbraw/zinc/66/33/31/941663331.db2.gz XJGQQDJSVDIXGQ-KRWDZBQOSA-N 2 0 317.433 0.494 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001484042959 943113465 /nfs/dbraw/zinc/11/34/65/943113465.db2.gz CXDIANDTNWXJRG-WMZOPIPTSA-N 2 0 319.449 0.559 20 30 DCEDRP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001484121987 943156503 /nfs/dbraw/zinc/15/65/03/943156503.db2.gz NGUYOXVEAYDSTB-SJLPKXTDSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH2+]CCN(CCO)C(=O)c1sccc1C[NH+](C)C ZINC001484483966 943409648 /nfs/dbraw/zinc/40/96/48/943409648.db2.gz HRJAJARAWKEVSW-UHFFFAOYSA-N 2 0 309.435 0.467 20 30 DCEDRP C#CC[NH2+]CC[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001484521498 943441521 /nfs/dbraw/zinc/44/15/21/943441521.db2.gz SWKBRTXOTFUQSV-OAHLLOKOSA-N 2 0 317.437 0.520 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001484564957 943453956 /nfs/dbraw/zinc/45/39/56/943453956.db2.gz GVAFWIKCFFPJSL-JYJNAYRXSA-N 2 0 307.438 0.605 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)CCO1 ZINC001484677673 943508504 /nfs/dbraw/zinc/50/85/04/943508504.db2.gz GITDJSAWLYBODP-GJZGRUSLSA-N 2 0 313.417 0.507 20 30 DCEDRP CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001485641019 944059500 /nfs/dbraw/zinc/05/95/00/944059500.db2.gz NPTZTLOVLJCDKV-JKSUJKDBSA-N 2 0 319.449 0.844 20 30 DCEDRP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001276983267 944617578 /nfs/dbraw/zinc/61/75/78/944617578.db2.gz HVRHLRCUCDXIFY-SHTZXODSSA-N 2 0 317.437 0.566 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H](C)CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001317266612 944887993 /nfs/dbraw/zinc/88/79/93/944887993.db2.gz SQYDFAJSVAOYJY-UKRRQHHQSA-N 2 0 322.453 0.209 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001317335537 944930776 /nfs/dbraw/zinc/93/07/76/944930776.db2.gz RFZSLOHSHAXMKD-GDBMZVCRSA-N 2 0 324.469 0.313 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001317521366 945018194 /nfs/dbraw/zinc/01/81/94/945018194.db2.gz CJWJPJHOOCYBTO-DOTOQJQBSA-N 2 0 319.449 0.416 20 30 DCEDRP N#C[C@@H]1C[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CCN1 ZINC001246518821 945424768 /nfs/dbraw/zinc/42/47/68/945424768.db2.gz JWIZEBSZZHGCTA-ILXRZTDVSA-N 2 0 307.442 0.340 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001318985013 945474621 /nfs/dbraw/zinc/47/46/21/945474621.db2.gz ZNZVZQYOPBVGMP-KKUMJFAQSA-N 2 0 322.453 0.257 20 30 DCEDRP N#Cc1ccc(N2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246786905 945489259 /nfs/dbraw/zinc/48/92/59/945489259.db2.gz BFKCYIXAOUTMGD-KRWDZBQOSA-N 2 0 311.433 0.774 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]C[C@H](C)O)CC(C)C)CC1 ZINC001319641701 945637211 /nfs/dbraw/zinc/63/72/11/945637211.db2.gz AMUCCXUHXZVINB-RDJZCZTQSA-N 2 0 323.481 0.833 20 30 DCEDRP CC#CC[NH2+][C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC001319958275 945704000 /nfs/dbraw/zinc/70/40/00/945704000.db2.gz PHSGEQYNZBKDJW-HOTGVXAUSA-N 2 0 309.454 0.708 20 30 DCEDRP C#CCOC[C@H](O)CNc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001251832598 945789154 /nfs/dbraw/zinc/78/91/54/945789154.db2.gz NNNKIENHPRLSDE-CQSZACIVSA-N 2 0 304.394 0.256 20 30 DCEDRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC#Cc2ccccc2)C1 ZINC001320313795 945817005 /nfs/dbraw/zinc/81/70/05/945817005.db2.gz NPDJRVGIMXJLHP-DLBZAZTESA-N 2 0 315.417 0.057 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]C[C@H](C)CC)CC1 ZINC001320316709 945819975 /nfs/dbraw/zinc/81/99/75/945819975.db2.gz NNOSKCRVSSVNSY-ZBFHGGJFSA-N 2 0 309.454 0.444 20 30 DCEDRP C=CCOC[C@H](O)CNc1ncccc1N1CC[NH+](C)CC1 ZINC001252458325 945936871 /nfs/dbraw/zinc/93/68/71/945936871.db2.gz IAQBNHJQCWPQMM-CQSZACIVSA-N 2 0 306.410 0.809 20 30 DCEDRP C=CCOC[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001252494956 945948322 /nfs/dbraw/zinc/94/83/22/945948322.db2.gz IGDDWHXTUAMKPX-RBSFLKMASA-N 2 0 313.442 0.129 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001278777355 946362961 /nfs/dbraw/zinc/36/29/61/946362961.db2.gz YRNBONUBCHVTQP-DOTOQJQBSA-N 2 0 307.438 0.436 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001324183271 947345114 /nfs/dbraw/zinc/34/51/14/947345114.db2.gz ZXDHROAOTIENHC-UONOGXRCSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001324559142 947456912 /nfs/dbraw/zinc/45/69/12/947456912.db2.gz BFFYHPDVGRBDFR-QGZVFWFLSA-N 2 0 320.481 0.570 20 30 DCEDRP C=CCNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001273496062 947926535 /nfs/dbraw/zinc/92/65/35/947926535.db2.gz SDYLAPOJQBAHNA-AWEZNQCLSA-N 2 0 310.442 0.163 20 30 DCEDRP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001325835622 947944288 /nfs/dbraw/zinc/94/42/88/947944288.db2.gz OBICZFYNTWSWGX-LZLYRXPVSA-N 2 0 321.465 0.683 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001328172914 948731880 /nfs/dbraw/zinc/73/18/80/948731880.db2.gz WWHKYINKRXXTLS-INIZCTEOSA-N 2 0 321.465 0.827 20 30 DCEDRP CC#CC[NH+]1CCC(CO)(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001328530446 948945657 /nfs/dbraw/zinc/94/56/57/948945657.db2.gz ZDDPYWSILHIPJA-MRXNPFEDSA-N 2 0 321.465 0.827 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001264391240 948953512 /nfs/dbraw/zinc/95/35/12/948953512.db2.gz QBYLCQYUNJRJKI-IXDOHACOSA-N 2 0 321.465 0.993 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1OCC ZINC001489017051 949436018 /nfs/dbraw/zinc/43/60/18/949436018.db2.gz LTOHWYFVLLWBHV-IAGOWNOFSA-N 2 0 321.465 0.805 20 30 DCEDRP CC#CC[NH2+]CCCCCCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001489097688 949484110 /nfs/dbraw/zinc/48/41/10/949484110.db2.gz GRPGYOFUCZZDAU-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001489202569 949593491 /nfs/dbraw/zinc/59/34/91/949593491.db2.gz KHPFYBPIEIRLSI-CVEARBPZSA-N 2 0 309.454 0.921 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC#CCOC ZINC001266148878 950419513 /nfs/dbraw/zinc/41/95/13/950419513.db2.gz JWNNLKTVVSUDPG-CVEARBPZSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001490280512 950498132 /nfs/dbraw/zinc/49/81/32/950498132.db2.gz ZYQKHSOOZYMXEZ-ZIAGYGMSSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CC[NH2+]C1CCN(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001279454154 950579535 /nfs/dbraw/zinc/57/95/35/950579535.db2.gz XGUHTABQTQECHT-HOTGVXAUSA-N 2 0 320.481 0.663 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001331156322 950973189 /nfs/dbraw/zinc/97/31/89/950973189.db2.gz VSHPQPRMRPJCKV-JSGCOSHPSA-N 2 0 308.426 0.139 20 30 DCEDRP C=C(Cl)CN(C)CCOCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001331161243 950977061 /nfs/dbraw/zinc/97/70/61/950977061.db2.gz NNYHSXRVYXKIDS-CYBMUJFWSA-N 2 0 303.834 0.755 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCCOC)C[C@H]2C)CC1 ZINC001332066075 951459888 /nfs/dbraw/zinc/45/98/88/951459888.db2.gz UUOHPKPGXSHWQO-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP C=C[C@@](C)(O)C[NH+]1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001274614868 951739999 /nfs/dbraw/zinc/73/99/99/951739999.db2.gz NDPRHJBFUFNXGF-GOEBONIOSA-N 2 0 309.454 0.703 20 30 DCEDRP C#CC[NH2+]C[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C(C)(C)C ZINC001332900219 951841918 /nfs/dbraw/zinc/84/19/18/951841918.db2.gz SSAZZAQKVBYUAM-CABCVRRESA-N 2 0 309.454 0.708 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]CCF)C2)CC1 ZINC001279193917 952280381 /nfs/dbraw/zinc/28/03/81/952280381.db2.gz OAUIYGFBWYQQNK-ZBFHGGJFSA-N 2 0 309.429 0.985 20 30 DCEDRP C#CCOCCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001335508864 952548516 /nfs/dbraw/zinc/54/85/16/952548516.db2.gz ITWOHDJVSUSEMG-IYBDPMFKSA-N 2 0 320.437 0.246 20 30 DCEDRP C#CC[NH2+]CC(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001343454755 953346993 /nfs/dbraw/zinc/34/69/93/953346993.db2.gz XDYOZTARWGIUIG-UHFFFAOYSA-N 2 0 300.406 0.277 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001344642768 953508376 /nfs/dbraw/zinc/50/83/76/953508376.db2.gz SNBSQKXOEZAVRQ-OAHLLOKOSA-N 2 0 305.422 0.264 20 30 DCEDRP [NH3+][C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[C@@H]1C(F)(F)F ZINC001344733317 953522500 /nfs/dbraw/zinc/52/25/00/953522500.db2.gz UEBWIIHYSFDYMS-NWDGAFQWSA-N 2 0 303.328 0.728 20 30 DCEDRP COCC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001282678548 953646003 /nfs/dbraw/zinc/64/60/03/953646003.db2.gz VPRLTHSHLCEIJP-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001284446201 955102632 /nfs/dbraw/zinc/10/26/32/955102632.db2.gz COCSJXHUOWZXJG-HZPDHXFCSA-N 2 0 309.454 0.683 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001357417641 957272527 /nfs/dbraw/zinc/27/25/27/957272527.db2.gz LCKAVEMAGHUYAW-GHMZBOCLSA-N 2 0 306.332 0.473 20 30 DCEDRP C#CC[NH2+]CC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001357838431 957389373 /nfs/dbraw/zinc/38/93/73/957389373.db2.gz YRGFRTVGPQEILY-MRXNPFEDSA-N 2 0 301.390 0.092 20 30 DCEDRP CC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001316749196 960363206 /nfs/dbraw/zinc/36/32/06/960363206.db2.gz SQFHBXKDVUHYEL-CVEARBPZSA-N 2 0 307.438 0.247 20 30 DCEDRP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001507031763 1015904573 /nfs/dbraw/zinc/90/45/73/1015904573.db2.gz XOBSVSWVNTXVLA-QGZVFWFLSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001502591623 1015986687 /nfs/dbraw/zinc/98/66/87/1015986687.db2.gz CRYQJARQUWJZMK-WMZOPIPTSA-N 2 0 321.465 0.826 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001507163225 1016043572 /nfs/dbraw/zinc/04/35/72/1016043572.db2.gz TWLMONQCFVPHJB-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+][C@H](C)COC)CC1 ZINC001507162944 1016045113 /nfs/dbraw/zinc/04/51/13/1016045113.db2.gz SVUDRTQENPXNNX-LSDHHAIUSA-N 2 0 309.454 0.803 20 30 DCEDRP C#CCC[NH2+][C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001502747449 1016054113 /nfs/dbraw/zinc/05/41/13/1016054113.db2.gz CPRGMFDCGMBCCE-ZBFHGGJFSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001502883689 1016117139 /nfs/dbraw/zinc/11/71/39/1016117139.db2.gz UDQYMYBNVLLPSY-UHFFFAOYSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+][C@H](C)COC)C2)CC1 ZINC001505537509 1016291410 /nfs/dbraw/zinc/29/14/10/1016291410.db2.gz AJOWTQXCEVCEIW-HPUBIQBYSA-N 2 0 321.465 0.851 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001507401106 1016306522 /nfs/dbraw/zinc/30/65/22/1016306522.db2.gz SIEVYOYOZVIOBW-JKSUJKDBSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001505606378 1016352576 /nfs/dbraw/zinc/35/25/76/1016352576.db2.gz QVSLYAJYJNQMJZ-KBPBESRZSA-N 2 0 305.426 0.564 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001507507900 1016433598 /nfs/dbraw/zinc/43/35/98/1016433598.db2.gz WFKRIEQXEIVFAS-HOTGVXAUSA-N 2 0 309.454 0.682 20 30 DCEDRP COCC[N@H+]1[C@H](C)CN(C(=O)NCC#CC[NH+](C)C)C[C@@H]1C ZINC001471631539 1016611659 /nfs/dbraw/zinc/61/16/59/1016611659.db2.gz ZNEVLNFKZZYCSF-GASCZTMLSA-N 2 0 310.442 0.302 20 30 DCEDRP C#CC[NH2+]CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001514581244 1016981936 /nfs/dbraw/zinc/98/19/36/1016981936.db2.gz JRMKWYVANLPORE-INIZCTEOSA-N 2 0 302.422 0.694 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]Cc1ccccc1C#N ZINC001439022726 1006372895 /nfs/dbraw/zinc/37/28/95/1006372895.db2.gz FPKZQYYSQFXGCN-OAHLLOKOSA-N 2 0 304.394 0.077 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001506822057 1017585617 /nfs/dbraw/zinc/58/56/17/1017585617.db2.gz SXYOIRLBJIGOEX-OSYLJGHBSA-N 2 0 319.449 0.415 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CCC2CC2)CC1 ZINC001497117096 1017885530 /nfs/dbraw/zinc/88/55/30/1017885530.db2.gz FFJNKMRCJOICMY-MRXNPFEDSA-N 2 0 307.438 0.198 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001497308494 1018036876 /nfs/dbraw/zinc/03/68/76/1018036876.db2.gz UHYBOQZDYSKBKZ-KBPBESRZSA-N 2 0 322.453 0.257 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001497393605 1018107092 /nfs/dbraw/zinc/10/70/92/1018107092.db2.gz JESKBCCUQUUQLI-OAHLLOKOSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001500018699 1018174101 /nfs/dbraw/zinc/17/41/01/1018174101.db2.gz NAIDNLLEZUKNIC-JKSUJKDBSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@](C)(C[NH2+]CCOC)C2)CC1 ZINC001500404265 1018440735 /nfs/dbraw/zinc/44/07/35/1018440735.db2.gz BPKGTAUAIJCIOR-GOSISDBHSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001497894762 1018502274 /nfs/dbraw/zinc/50/22/74/1018502274.db2.gz GQAQCKLUQIGABW-ZIAGYGMSSA-N 2 0 322.453 0.209 20 30 DCEDRP CCC[N@H+](C)CC(=O)NC1CCC([NH2+]CC#CCOC)CC1 ZINC001480410343 1018506051 /nfs/dbraw/zinc/50/60/51/1018506051.db2.gz FQEGBLYVCBQGCS-UHFFFAOYSA-N 2 0 309.454 0.995 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC#CCOC)C1 ZINC001480709921 1018794349 /nfs/dbraw/zinc/79/43/49/1018794349.db2.gz TZCAVTVTADHORM-HZPDHXFCSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H](C)CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001480808958 1018934963 /nfs/dbraw/zinc/93/49/63/1018934963.db2.gz RUMSQKJTXVLFBX-CABCVRRESA-N 2 0 322.453 0.354 20 30 DCEDRP C=CC[N@H+]1CCC[C@](CO)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001501369861 1019105938 /nfs/dbraw/zinc/10/59/38/1019105938.db2.gz SSYDWVFDXAHOQB-KRWDZBQOSA-N 2 0 309.454 0.992 20 30 DCEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001502052773 1019663710 /nfs/dbraw/zinc/66/37/10/1019663710.db2.gz CBSOGLZMGMGFOO-HOTGVXAUSA-N 2 0 307.438 0.721 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCN(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001494101577 1019984533 /nfs/dbraw/zinc/98/45/33/1019984533.db2.gz CYIZSNTWCAKEGO-UHFFFAOYSA-N 2 0 322.497 0.980 20 30 DCEDRP C[NH+](C)CC(C)(C)CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264069081 238188799 /nfs/dbraw/zinc/18/87/99/238188799.db2.gz FSQGDAAVOORQMT-UHFFFAOYSA-N 2 0 319.457 0.501 20 30 DCEDRP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000362411907 239100806 /nfs/dbraw/zinc/10/08/06/239100806.db2.gz DESSNDIARFNJSE-OAHLLOKOSA-N 2 0 307.442 0.070 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000419736920 239941044 /nfs/dbraw/zinc/94/10/44/239941044.db2.gz XQEYCQCTYRKVLW-UKRRQHHQSA-N 2 0 322.453 0.481 20 30 DCEDRP Cc1cc(NC2CC[NH+](CC(=O)N(C)C)CC2)c(C#N)cn1 ZINC000425228824 240322221 /nfs/dbraw/zinc/32/22/21/240322221.db2.gz PXFDHGYUXHUJOY-UHFFFAOYSA-N 2 0 301.394 0.648 20 30 DCEDRP C[NH+]=C(NCCc1csc(C)n1)NC[C@@H]1C[N@H+](C)CCN1C ZINC000088870073 395708482 /nfs/dbraw/zinc/70/84/82/395708482.db2.gz WVGJUJYLWXIQJS-CQSZACIVSA-N 2 0 324.498 0.405 20 30 DCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CNc1ccc(C#N)cc1 ZINC000104533744 395779202 /nfs/dbraw/zinc/77/92/02/395779202.db2.gz RBJIOGFOTJRMGO-UHFFFAOYSA-N 2 0 317.437 0.922 20 30 DCEDRP CN(CCC#N)C[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000580182969 396491540 /nfs/dbraw/zinc/49/15/40/396491540.db2.gz MQQRMPJQDOYNOI-ZACQAIPSSA-N 2 0 324.469 0.160 20 30 DCEDRP C=CCNC(=O)NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595901644 396679160 /nfs/dbraw/zinc/67/91/60/396679160.db2.gz ZLBQVFFSTCDYIK-CQSZACIVSA-N 2 0 308.426 0.710 20 30 DCEDRP CN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000595978008 396701826 /nfs/dbraw/zinc/70/18/26/396701826.db2.gz RPMXPKWSYYDYKU-HZPDHXFCSA-N 2 0 321.469 0.634 20 30 DCEDRP Cc1cc(N2CC([NH+](C)C)C2)c(C#N)c(N2CC([NH+](C)C)C2)n1 ZINC000596177848 396727771 /nfs/dbraw/zinc/72/77/71/396727771.db2.gz FCQINXVLTINCJZ-UHFFFAOYSA-N 2 0 314.437 0.762 20 30 DCEDRP C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C(=O)NCC[NH+]1CCCCC1 ZINC000592283093 397141726 /nfs/dbraw/zinc/14/17/26/397141726.db2.gz BORZSGBGUYUEAG-ZIAGYGMSSA-N 2 0 323.441 0.114 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621845656 397426249 /nfs/dbraw/zinc/42/62/49/397426249.db2.gz NERQEFMGXOXQKL-GUYCJALGSA-N 2 0 320.437 0.093 20 30 DCEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594441059 397551350 /nfs/dbraw/zinc/55/13/50/397551350.db2.gz LWCXIOUIEAPXJW-GJZGRUSLSA-N 2 0 310.442 0.871 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000355311437 415859805 /nfs/dbraw/zinc/85/98/05/415859805.db2.gz FTQAQLFIXFAOIX-AWEZNQCLSA-N 2 0 324.469 0.600 20 30 DCEDRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)[C@@H](C)C1 ZINC000329427260 416169633 /nfs/dbraw/zinc/16/96/33/416169633.db2.gz JCUWHQIOSKTHKK-RZLSGREXSA-N 2 0 324.469 0.770 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000186952410 416257803 /nfs/dbraw/zinc/25/78/03/416257803.db2.gz YGXJEGCNSCQMLH-OAHLLOKOSA-N 2 0 321.465 0.635 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261632241 416335503 /nfs/dbraw/zinc/33/55/03/416335503.db2.gz DFDNTPCDSOQREW-KKUMJFAQSA-N 2 0 322.453 0.257 20 30 DCEDRP COC[C@H](C)NC(=[NH2+])NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000264098711 416338959 /nfs/dbraw/zinc/33/89/59/416338959.db2.gz NJIJQUGNNXNECD-BBRMVZONSA-N 2 0 320.437 0.345 20 30 DCEDRP C[C@@H]1C[C@@H](CO)C[NH+](CC#CC[N@@H+]2C[C@H](C)C[C@H](CO)C2)C1 ZINC000420953876 416419489 /nfs/dbraw/zinc/41/94/89/416419489.db2.gz YYCXJPSAWJJUEV-TVFCKZIOSA-N 2 0 308.466 0.890 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000491742346 416621441 /nfs/dbraw/zinc/62/14/41/416621441.db2.gz LSAFKZVFHNDBCO-UHFFFAOYSA-N 2 0 323.485 0.267 20 30 DCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1COCC[NH2+]1)C(C)C ZINC000626937145 417177407 /nfs/dbraw/zinc/17/74/07/417177407.db2.gz OYJAPEVMXBUFIW-HZPDHXFCSA-N 2 0 324.469 0.973 20 30 DCEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N(C)Cc1cccn1C ZINC000261964990 280840971 /nfs/dbraw/zinc/84/09/71/280840971.db2.gz LEGHVJUCBIMVGS-MRXNPFEDSA-N 2 0 318.469 0.422 20 30 DCEDRP C[C@H](NC(=O)NCC1(O)CC[NH+](C)CC1)C1=CC[N@H+](C)CC1 ZINC000329274228 299005492 /nfs/dbraw/zinc/00/54/92/299005492.db2.gz BBCFTZIJKAVBGP-ZDUSSCGKSA-N 2 0 310.442 0.597 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)CC1 ZINC000490901186 332902902 /nfs/dbraw/zinc/90/29/02/332902902.db2.gz ZLTLRURLVLXHSI-CABCVRRESA-N 2 0 309.479 0.836 20 30 DCEDRP C[N@H+](CCO)C1CCN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC1 ZINC000330165945 336119856 /nfs/dbraw/zinc/11/98/56/336119856.db2.gz XMTBPRCTRAKZLE-CQSZACIVSA-N 2 0 324.469 0.773 20 30 DCEDRP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC#CCOC)[NH+](C)C ZINC001566947696 1160191407 /nfs/dbraw/zinc/19/14/07/1160191407.db2.gz DYILOMIGQOJYSX-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCC[NH+]1CCN(CCN(C)C(=O)C[N@@H+](C)CCC)CC1 ZINC001567720538 1160463618 /nfs/dbraw/zinc/46/36/18/1160463618.db2.gz ADXJOIVBHPIXNF-UHFFFAOYSA-N 2 0 308.470 0.428 20 30 DCEDRP C=C(C)C[NH2+]C1(CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001569421769 1161054857 /nfs/dbraw/zinc/05/48/57/1161054857.db2.gz JKWCSHVWPLSZIF-UHFFFAOYSA-N 2 0 305.426 0.873 20 30 DCEDRP COc1ccc(NC(=[NH2+])NC[C@H]2C[NH+]3CCN2CC3)cc1OC ZINC000262822428 533992539 /nfs/dbraw/zinc/99/25/39/533992539.db2.gz XGQGKPWQBNGVAF-ZDUSSCGKSA-N 2 0 319.409 0.430 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000248700763 526426895 /nfs/dbraw/zinc/42/68/95/526426895.db2.gz ZNUOVCHHGLDBDY-GJZGRUSLSA-N 2 0 324.469 0.733 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000364334944 526435282 /nfs/dbraw/zinc/43/52/82/526435282.db2.gz DHARWPLTODEBRV-CVEARBPZSA-N 2 0 322.453 0.799 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000363807661 526528129 /nfs/dbraw/zinc/52/81/29/526528129.db2.gz XZMUBCLEPZBSBE-UHFFFAOYSA-N 2 0 308.470 0.638 20 30 DCEDRP CC(C)[NH+]=C(NCC(=O)N(C)C)NC1CC[NH+](C(C)C)CC1 ZINC000173876536 527386466 /nfs/dbraw/zinc/38/64/66/527386466.db2.gz PZKLJKZCAIDMLT-UHFFFAOYSA-N 2 0 311.474 0.891 20 30 DCEDRP CC(C)CNC(=[NH2+])NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000264091557 527954962 /nfs/dbraw/zinc/95/49/62/527954962.db2.gz LBWIEVMVQNSERZ-MRXNPFEDSA-N 2 0 304.438 0.966 20 30 DCEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CC[C@]2(CCOC2)C1 ZINC000261655771 528811500 /nfs/dbraw/zinc/81/15/00/528811500.db2.gz AAGJEQFXSWYEOW-WBVHZDCISA-N 2 0 321.469 0.064 20 30 DCEDRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329466340 546049660 /nfs/dbraw/zinc/04/96/60/546049660.db2.gz RXXYZNIMOCUBSI-KGLIPLIRSA-N 2 0 309.458 0.363 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001672529253 1175123631 /nfs/dbraw/zinc/12/36/31/1175123631.db2.gz BXYVZVXEMQVOHZ-CVEARBPZSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001674052500 1175249422 /nfs/dbraw/zinc/24/94/22/1175249422.db2.gz WYOCREQUCGRKJK-UHFFFAOYSA-N 2 0 308.470 0.731 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+]CCOC)C2)CC1 ZINC001674612659 1175286300 /nfs/dbraw/zinc/28/63/00/1175286300.db2.gz XPPJWYUFAOWVBB-UHFFFAOYSA-N 2 0 307.438 0.462 20 30 DCEDRP C[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261657626 661354408 /nfs/dbraw/zinc/35/44/08/661354408.db2.gz AHYXPEYSURMRGM-UXIGCNINSA-N 2 0 312.483 0.502 20 30 DCEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001027888601 660888922 /nfs/dbraw/zinc/88/89/22/660888922.db2.gz VAYLUGXBRSHMFW-AWEZNQCLSA-N 2 0 305.426 0.825 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001022196794 657537418 /nfs/dbraw/zinc/53/74/18/657537418.db2.gz UBNZKAGKZCKXSJ-LZWOXQAQSA-N 2 0 305.422 0.500 20 30 DCEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000970168512 658682075 /nfs/dbraw/zinc/68/20/75/658682075.db2.gz BYNHUJXMJMCWLC-DFFOAJLQSA-N 2 0 319.449 0.862 20 30 DCEDRP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001032675557 665607442 /nfs/dbraw/zinc/60/74/42/665607442.db2.gz ARUDUKBMUYFQER-HOTGVXAUSA-N 2 0 317.437 0.920 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025799088 659565549 /nfs/dbraw/zinc/56/55/49/659565549.db2.gz UYDPBWZGEIHWJA-NRKLIOEPSA-N 2 0 319.449 0.862 20 30 DCEDRP C=CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000046867 665729729 /nfs/dbraw/zinc/72/97/29/665729729.db2.gz WREPQAYWMVUXGF-ZFWWWQNUSA-N 2 0 318.425 0.279 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]([C@@H](C)COC)C2)CC1 ZINC001029002873 661930019 /nfs/dbraw/zinc/93/00/19/661930019.db2.gz CWKIAJWPCGSPMF-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CCSC(C)(C)C1 ZINC000261963938 661934028 /nfs/dbraw/zinc/93/40/28/661934028.db2.gz PPTSLWFIYIIVKE-CYBMUJFWSA-N 2 0 313.515 0.635 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000895056054 662054248 /nfs/dbraw/zinc/05/42/48/662054248.db2.gz AXJABSZNSYNDTF-HOTGVXAUSA-N 2 0 322.453 0.182 20 30 DCEDRP CN1CCC[NH+]=C1NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000263112423 662636442 /nfs/dbraw/zinc/63/64/42/662636442.db2.gz LEABWQHDTCLUKK-UHFFFAOYSA-N 2 0 309.458 0.064 20 30 DCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC000987164194 662650226 /nfs/dbraw/zinc/65/02/26/662650226.db2.gz AMPSZJUZVKSGSZ-DZGCQCFKSA-N 2 0 303.410 0.271 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000911236421 664009018 /nfs/dbraw/zinc/00/90/18/664009018.db2.gz QTACHEFJWZTUMB-SUMWQHHRSA-N 2 0 320.437 0.093 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911235306 664012583 /nfs/dbraw/zinc/01/25/83/664012583.db2.gz BRURMRWXFVVNAH-ZIAGYGMSSA-N 2 0 322.453 0.115 20 30 DCEDRP COCC[NH+]=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC(C)(C)C ZINC000912509468 664182040 /nfs/dbraw/zinc/18/20/40/664182040.db2.gz HIRCEMSULVNTGZ-UONOGXRCSA-N 2 0 312.458 0.830 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000913517875 664337547 /nfs/dbraw/zinc/33/75/47/664337547.db2.gz TWKPEVNPUHQPDK-KRWDZBQOSA-N 2 0 314.433 0.975 20 30 DCEDRP C#CCN(C(=O)NCCC[N@@H+](C)CCOC)C1CC[NH+](C)CC1 ZINC000914176213 664762428 /nfs/dbraw/zinc/76/24/28/664762428.db2.gz AJGBPFZAYDNFPJ-UHFFFAOYSA-N 2 0 324.469 0.694 20 30 DCEDRP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC000992855113 664780379 /nfs/dbraw/zinc/78/03/79/664780379.db2.gz HXSBGLWRJQXYIM-OWCLPIDISA-N 2 0 301.434 0.932 20 30 DCEDRP C#CCN(C(=O)NC1CC[NH+](CCO)CC1)C1CC[NH+](C)CC1 ZINC000917844303 665145742 /nfs/dbraw/zinc/14/57/42/665145742.db2.gz ZJOSESGSBLGXHL-UHFFFAOYSA-N 2 0 322.453 0.182 20 30 DCEDRP C=CCN1CC(N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941636603 666032902 /nfs/dbraw/zinc/03/29/02/666032902.db2.gz OQVFPEUIPWXBEX-HNNXBMFYSA-N 2 0 306.454 0.343 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941639808 666033191 /nfs/dbraw/zinc/03/31/91/666033191.db2.gz ZBFXAHSKOOQQFX-MRXNPFEDSA-N 2 0 320.481 0.733 20 30 DCEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001001423520 666050596 /nfs/dbraw/zinc/05/05/96/666050596.db2.gz BRQKTKITCFBSIY-HOTGVXAUSA-N 2 0 307.438 0.864 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001001647160 666082226 /nfs/dbraw/zinc/08/22/26/666082226.db2.gz SINIASQYELBMOI-UPTPFMHGSA-N 2 0 317.433 0.311 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC001032837151 666289209 /nfs/dbraw/zinc/28/92/09/666289209.db2.gz PBRKSTPVZQSFPG-ZACQAIPSSA-N 2 0 319.449 0.844 20 30 DCEDRP CC#CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001003333731 666296183 /nfs/dbraw/zinc/29/61/83/666296183.db2.gz SNWUOOHPUPCLAL-BFHRDPOASA-N 2 0 317.433 0.454 20 30 DCEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CC1(C)C ZINC000995591719 666505981 /nfs/dbraw/zinc/50/59/81/666505981.db2.gz UFCCXUSFRJWRKV-STQMWFEESA-N 2 0 315.845 0.896 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033278131 666659053 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322.478 0.679 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CC[N@@H+]3CCCC[C@H]13)C2 ZINC000884195688 667494829 /nfs/dbraw/zinc/49/48/29/667494829.db2.gz WGZPQVAXNMHVGV-VXSWHIBVSA-N 2 0 302.422 0.869 20 30 DCEDRP C[NH+](C)CCn1cc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cn1 ZINC000884206542 667498595 /nfs/dbraw/zinc/49/85/95/667498595.db2.gz XUOBBSJDIJTKGR-MFOWVQHXSA-N 2 0 316.409 0.523 20 30 DCEDRP COCCC[N@H+](C)CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884226077 667504176 /nfs/dbraw/zinc/50/41/76/667504176.db2.gz JUFPHJBTEBQLBH-NPCAHTBFSA-N 2 0 308.426 0.210 20 30 DCEDRP C#CC[N@@H+]1CCC[C@@H](Nc2cc(N3CCOCC3)ncn2)C1 ZINC000884612851 667575886 /nfs/dbraw/zinc/57/58/86/667575886.db2.gz VYHORQZZLQGWTC-CQSZACIVSA-N 2 0 301.394 0.823 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000884642320 667581250 /nfs/dbraw/zinc/58/12/50/667581250.db2.gz GOSMHXBANNRPLA-CQSZACIVSA-N 2 0 308.426 0.093 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000838622830 667701645 /nfs/dbraw/zinc/70/16/45/667701645.db2.gz PNCMMRQTMTXCQV-HZPDHXFCSA-N 2 0 322.453 0.182 20 30 DCEDRP N#Cc1ccc(NCC[NH2+][C@@H]2[C@@H]3COC[C@H]2C[C@@H]([NH3+])C3)nc1 ZINC000925892828 668354598 /nfs/dbraw/zinc/35/45/98/668354598.db2.gz FZEQLIYCWOAFLG-UWOLEIRVSA-N 2 0 301.394 0.707 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877327974 668601960 /nfs/dbraw/zinc/60/19/60/668601960.db2.gz ZXZHDHWBCDSLNS-VXGBXAGGSA-N 2 0 301.818 0.731 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCNc1ncccc1C#N ZINC000848989423 670745978 /nfs/dbraw/zinc/74/59/78/670745978.db2.gz HUWYUWWFZPADHY-AWEZNQCLSA-N 2 0 315.425 0.963 20 30 DCEDRP C[NH+]=C(NCC1(N2CCOCC2)CC[NH+](C)CC1)NC1CC1 ZINC000849040596 670754521 /nfs/dbraw/zinc/75/45/21/670754521.db2.gz AQVRCSDDJIUKFZ-UHFFFAOYSA-N 2 0 309.458 0.110 20 30 DCEDRP C[N@@H+]1CC[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)CC1(C)C ZINC000858136987 670973646 /nfs/dbraw/zinc/97/36/46/670973646.db2.gz BZMWRSXEYDFOOZ-DKASORFFSA-N 2 0 306.410 0.975 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000852867940 671180397 /nfs/dbraw/zinc/18/03/97/671180397.db2.gz IMPUOMBLHUTMSY-UHFFFAOYSA-N 2 0 319.449 0.560 20 30 DCEDRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852896607 671189351 /nfs/dbraw/zinc/18/93/51/671189351.db2.gz FYJQIDSIIDUICI-BRWVUGGUSA-N 2 0 319.449 0.877 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CCOC)CC1 ZINC001024811942 693835967 /nfs/dbraw/zinc/83/59/67/693835967.db2.gz GCMJYFAGCLCRDT-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C[C@@H]1C[N@@H+](CCCNC(=[NH2+])N2CCSCC2)C[C@H](C)O1 ZINC000303786549 685206748 /nfs/dbraw/zinc/20/67/48/685206748.db2.gz RNTFJVXAOYCNRT-BETUJISGSA-N 2 0 300.472 0.849 20 30 DCEDRP C=CC[N@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](O)C1 ZINC000958481142 687694637 /nfs/dbraw/zinc/69/46/37/687694637.db2.gz NLOYMNMPMWNZBJ-IAGOWNOFSA-N 2 0 317.433 0.957 20 30 DCEDRP CC#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958556569 687744250 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301.434 0.886 20 30 DCEDRP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC001072760647 694661121 /nfs/dbraw/zinc/66/11/21/694661121.db2.gz JHDMEPUDKOZFIB-HZPDHXFCSA-N 2 0 319.449 0.960 20 30 DCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760865 694661511 /nfs/dbraw/zinc/66/15/11/694661511.db2.gz QZJHUWIWKCESIL-LSDHHAIUSA-N 2 0 303.406 0.017 20 30 DCEDRP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001073605552 694750638 /nfs/dbraw/zinc/75/06/38/694750638.db2.gz NILMAHSFAAFNLN-YESZJQIVSA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075798998 694977402 /nfs/dbraw/zinc/97/74/02/694977402.db2.gz XTGBCIFEEQPPTO-YESZJQIVSA-N 2 0 301.434 0.884 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC#CCOC)[C@@H](C)C1 ZINC001570446881 1162520394 /nfs/dbraw/zinc/52/03/94/1162520394.db2.gz ZTIZIKPMMKVNFY-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001570744379 1162609752 /nfs/dbraw/zinc/60/97/52/1162609752.db2.gz PYMNMUWLIBRUDY-INIZCTEOSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCCN1CC(CCO)(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001570770910 1162618769 /nfs/dbraw/zinc/61/87/69/1162618769.db2.gz SGCOGJDLLBFHAK-GASCZTMLSA-N 2 0 307.438 0.436 20 30 DCEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001571440531 1162756074 /nfs/dbraw/zinc/75/60/74/1162756074.db2.gz DIOQROZSUPJPAC-CZUORRHYSA-N 2 0 313.417 0.289 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC001571456916 1162767741 /nfs/dbraw/zinc/76/77/41/1162767741.db2.gz LLLNROLDKQKBCC-UKRRQHHQSA-N 2 0 322.453 0.352 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001571461862 1162769519 /nfs/dbraw/zinc/76/95/19/1162769519.db2.gz UGIOYPPYTJWIKK-KGLIPLIRSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001571563395 1162812078 /nfs/dbraw/zinc/81/20/78/1162812078.db2.gz IZJREORHNHCTOI-KGLIPLIRSA-N 2 0 324.469 0.455 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001571563394 1162812616 /nfs/dbraw/zinc/81/26/16/1162812616.db2.gz IZJREORHNHCTOI-KBPBESRZSA-N 2 0 324.469 0.455 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]C[C@@H]2CCCOC2)CC1 ZINC001772517041 1157408623 /nfs/dbraw/zinc/40/86/23/1157408623.db2.gz JXZHYMSTFFNVNJ-CVEARBPZSA-N 2 0 321.465 0.853 20 30 DCEDRP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001725723292 1157760358 /nfs/dbraw/zinc/76/03/58/1157760358.db2.gz JTPJCAWQFLUZEI-MRXNPFEDSA-N 2 0 309.454 0.637 20 30 DCEDRP C=CCOCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267709552 1157931312 /nfs/dbraw/zinc/93/13/12/1157931312.db2.gz XHUSJJIKSDQKEF-JKSUJKDBSA-N 2 0 309.454 0.921 20 30 DCEDRP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC#CCOC ZINC001691495959 1157994943 /nfs/dbraw/zinc/99/49/43/1157994943.db2.gz DVXKWQPPWGDVSW-JKSUJKDBSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001672816378 1158777594 /nfs/dbraw/zinc/77/75/94/1158777594.db2.gz QREQZAOBAJLLGW-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP CC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001566033474 1159869493 /nfs/dbraw/zinc/86/94/93/1159869493.db2.gz VSISBNRLLTUZMM-DLBZAZTESA-N 2 0 321.465 0.779 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCOC)C1 ZINC001566872161 1160173841 /nfs/dbraw/zinc/17/38/41/1160173841.db2.gz SJKGUEMBFDXLRP-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001566902957 1160181168 /nfs/dbraw/zinc/18/11/68/1160181168.db2.gz DYOPEZGGZWPLMH-GJZGRUSLSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001567202756 1160271393 /nfs/dbraw/zinc/27/13/93/1160271393.db2.gz KCCIGUJFBLKQTJ-SJORKVTESA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001567709245 1160461264 /nfs/dbraw/zinc/46/12/64/1160461264.db2.gz KBAAKOJIXDILIB-IRXDYDNUSA-N 2 0 321.465 0.806 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC#CCOC ZINC001568175833 1160590722 /nfs/dbraw/zinc/59/07/22/1160590722.db2.gz NKVZDEFIEFJZLY-CVEARBPZSA-N 2 0 309.454 0.853 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CC#CCOC)C[C@H]21 ZINC001569921602 1161317327 /nfs/dbraw/zinc/31/73/27/1161317327.db2.gz OBSRDZOFCPUPIP-DLBZAZTESA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001569937376 1161333317 /nfs/dbraw/zinc/33/33/17/1161333317.db2.gz UUIBNHNRAJAGCW-CVEARBPZSA-N 2 0 309.454 0.990 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001570143808 1161440271 /nfs/dbraw/zinc/44/02/71/1161440271.db2.gz BYCPGBREYWPWDC-OAHLLOKOSA-N 2 0 305.422 0.455 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001570357345 1161578979 /nfs/dbraw/zinc/57/89/79/1161578979.db2.gz WHVNEOHRHLEVJC-WBVHZDCISA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCN(C(=O)N[C@H](CC[NH3+])C(F)F)C1CC[NH+](C)CC1 ZINC001574584003 1163732757 /nfs/dbraw/zinc/73/27/57/1163732757.db2.gz SIHQTZUFSFVEJX-GFCCVEGCSA-N 2 0 302.369 0.708 20 30 DCEDRP C#CCC[NH+]1CCC(NC(=O)CCNC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC001574583726 1163733208 /nfs/dbraw/zinc/73/32/08/1163733208.db2.gz MGEWIFFQUDAZDW-MRXNPFEDSA-N 2 0 322.453 0.080 20 30 DCEDRP C#CCN(C(=O)N[C@@H]1C[NH2+]CCC1(F)F)C1CC[NH+](C)CC1 ZINC001574583120 1163733332 /nfs/dbraw/zinc/73/33/32/1163733332.db2.gz FQVIINCXSGVUID-CYBMUJFWSA-N 2 0 314.380 0.723 20 30 DCEDRP C=CC1(CC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)C[NH2+]C1 ZINC001574879523 1163782126 /nfs/dbraw/zinc/78/21/26/1163782126.db2.gz CDHGMBFGFKYOBW-UHFFFAOYSA-N 2 0 307.438 0.723 20 30 DCEDRP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc1 ZINC001579198833 1165235179 /nfs/dbraw/zinc/23/51/79/1165235179.db2.gz DBLRXQUZINVXKP-IMJJTQAJSA-N 2 0 316.405 0.962 20 30 DCEDRP CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001649975540 1173354547 /nfs/dbraw/zinc/35/45/47/1173354547.db2.gz MFMWSVWXUVKYHI-HFEMLGQRSA-N 2 0 302.422 0.867 20 30 DCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)C2 ZINC001650388547 1173611062 /nfs/dbraw/zinc/61/10/62/1173611062.db2.gz YKAZQUZLTXZOOV-LIAJTKMLSA-N 2 0 316.327 0.474 20 30 DCEDRP C=CCN1CC[C@H](N2CC[C@H]2CN(C)C(=O)CC[NH+](C)C)C1=O ZINC001656088554 1173836937 /nfs/dbraw/zinc/83/69/37/1173836937.db2.gz LQZFOAFRMBVBJQ-GJZGRUSLSA-N 2 0 322.453 0.258 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001660922022 1174069715 /nfs/dbraw/zinc/06/97/15/1174069715.db2.gz XBLJXHGSQXREBS-KRWDZBQOSA-N 2 0 320.481 0.616 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001661510427 1174132281 /nfs/dbraw/zinc/13/22/81/1174132281.db2.gz AYASUESXMLRNEF-KBUPBQIOSA-N 2 0 322.453 0.398 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CC[C@@H]2CCOC2)CC1 ZINC001662424916 1174208961 /nfs/dbraw/zinc/20/89/61/1174208961.db2.gz OWJSCYULKYQJSK-JKSUJKDBSA-N 2 0 321.465 0.853 20 30 DCEDRP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001662685175 1174231227 /nfs/dbraw/zinc/23/12/27/1174231227.db2.gz DAFUIOGLXKIRBG-JKSUJKDBSA-N 2 0 309.454 0.969 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001662790675 1174242236 /nfs/dbraw/zinc/24/22/36/1174242236.db2.gz JRVAZFSQQDPYRT-JKSUJKDBSA-N 2 0 319.449 0.749 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001666913913 1174646096 /nfs/dbraw/zinc/64/60/96/1174646096.db2.gz LVBUBOOQRASSBT-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001667394411 1174680482 /nfs/dbraw/zinc/68/04/82/1174680482.db2.gz SWIHASOXVZIUHA-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001671998094 1175057156 /nfs/dbraw/zinc/05/71/56/1175057156.db2.gz BWMFHTPUHHWNSS-BFYDXBDKSA-N 2 0 309.454 0.846 20 30 DCEDRP C=C(Cl)C[NH2+]CCN(CCO)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001672677033 1175141438 /nfs/dbraw/zinc/14/14/38/1175141438.db2.gz QYZGDEIPPGZRRS-GFCCVEGCSA-N 2 0 303.834 0.491 20 30 DCEDRP C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001672690271 1175144273 /nfs/dbraw/zinc/14/42/73/1175144273.db2.gz JLGXVZRAVRBSRI-HZPDHXFCSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001672701820 1175145682 /nfs/dbraw/zinc/14/56/82/1175145682.db2.gz GTKHIHRMBZFSJD-HZPDHXFCSA-N 2 0 309.454 0.541 20 30 DCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001673675679 1175222302 /nfs/dbraw/zinc/22/23/02/1175222302.db2.gz FRVMNVWPNDRPCA-NVXWUHKLSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001673688398 1175224688 /nfs/dbraw/zinc/22/46/88/1175224688.db2.gz KWSQEANHEOHPQN-QGZVFWFLSA-N 2 0 307.438 0.295 20 30 DCEDRP C=CCOCC[NH+]1CC([C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001675360412 1175350672 /nfs/dbraw/zinc/35/06/72/1175350672.db2.gz YKYPAPWHMDEHIJ-LSDHHAIUSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001677168206 1175542694 /nfs/dbraw/zinc/54/26/94/1175542694.db2.gz AQMJNWBMRQGDCI-SJORKVTESA-N 2 0 323.481 0.883 20 30 DCEDRP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001677168203 1175543084 /nfs/dbraw/zinc/54/30/84/1175543084.db2.gz AQMJNWBMRQGDCI-DLBZAZTESA-N 2 0 323.481 0.883 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001685772342 1176041676 /nfs/dbraw/zinc/04/16/76/1176041676.db2.gz HIDLCCSYQDWCGF-INIZCTEOSA-N 2 0 322.453 0.305 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001687890205 1176298465 /nfs/dbraw/zinc/29/84/65/1176298465.db2.gz FBTJRDUDWYKLIO-XHSDSOJGSA-N 2 0 306.454 0.923 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001688937583 1176660732 /nfs/dbraw/zinc/66/07/32/1176660732.db2.gz PXQIILMOQYXCNH-WKILWMFISA-N 2 0 319.449 0.749 20 30 DCEDRP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001690092088 1177169882 /nfs/dbraw/zinc/16/98/82/1177169882.db2.gz VMHNATLNNVIUBB-JKSUJKDBSA-N 2 0 307.438 0.721 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001699047437 1177796700 /nfs/dbraw/zinc/79/67/00/1177796700.db2.gz LKHTWXRLFIGPOA-DOTOQJQBSA-N 2 0 321.465 0.731 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001699798717 1178288252 /nfs/dbraw/zinc/28/82/52/1178288252.db2.gz KABPVSIXMQIFSC-DLBZAZTESA-N 2 0 321.465 0.853 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC#CCOC)CC2 ZINC001700109501 1178478398 /nfs/dbraw/zinc/47/83/98/1178478398.db2.gz NKKWMGVPZAHOSO-UHFFFAOYSA-N 2 0 321.465 0.902 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001700243244 1178550101 /nfs/dbraw/zinc/55/01/01/1178550101.db2.gz VOJJNYSUWDILGY-QGZVFWFLSA-N 2 0 307.438 0.439 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001700430965 1178615127 /nfs/dbraw/zinc/61/51/27/1178615127.db2.gz OSOPTXLLTVYDQB-JKSUJKDBSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CC[N@H+](C)CCOCCNC(=O)[C@H]1CCc2cncn2C1 ZINC001700703720 1178713764 /nfs/dbraw/zinc/71/37/64/1178713764.db2.gz BYZVVGUOUCDWDE-AWEZNQCLSA-N 2 0 306.410 0.696 20 30 DCEDRP CC[C@@H](C(=O)N(C)[C@H](C[NH2+]CC#CCOC)C1CC1)[NH+](C)C ZINC001700731493 1178724892 /nfs/dbraw/zinc/72/48/92/1178724892.db2.gz SITNBYOXKVNFGK-JKSUJKDBSA-N 2 0 309.454 0.803 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001700758675 1178732810 /nfs/dbraw/zinc/73/28/10/1178732810.db2.gz CKHHKYARZPHANL-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001700945456 1178822458 /nfs/dbraw/zinc/82/24/58/1178822458.db2.gz UOHZCEVJSCYOCG-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC001700947475 1178823131 /nfs/dbraw/zinc/82/31/31/1178823131.db2.gz SGHVHBRYZGRJEY-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001707064405 1180407508 /nfs/dbraw/zinc/40/75/08/1180407508.db2.gz IPTPDSUNTQHESZ-BBWFWOEESA-N 2 0 317.433 0.218 20 30 DCEDRP C#CCC[N@@H+](CCNC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001713563837 1180924910 /nfs/dbraw/zinc/92/49/10/1180924910.db2.gz BDVQRCLURZLTGO-UHFFFAOYSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCNC(=O)CN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001713823259 1181097459 /nfs/dbraw/zinc/09/74/59/1181097459.db2.gz HYQHXVMNCHHSDP-SOUVJXGZSA-N 2 0 322.453 0.209 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001714345640 1181329299 /nfs/dbraw/zinc/32/92/99/1181329299.db2.gz GDZFZDVDFKZVHA-RBSFLKMASA-N 2 0 322.453 0.352 20 30 DCEDRP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001715323943 1181773551 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CC#CC[NH2+][C@H](CNC(=O)COC1CC[NH+](C)CC1)C(C)C ZINC001732572660 1185853490 /nfs/dbraw/zinc/85/34/90/1185853490.db2.gz CIVJOOOXIMFSLD-MRXNPFEDSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](CCO)CC1 ZINC001733370112 1186243341 /nfs/dbraw/zinc/24/33/41/1186243341.db2.gz GDFYWGHWGOEUER-QGZVFWFLSA-N 2 0 319.449 0.247 20 30 DCEDRP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@@H](C)OC)CC1 ZINC001733374840 1186245769 /nfs/dbraw/zinc/24/57/69/1186245769.db2.gz BYWSOCBHOBRXSS-HZPDHXFCSA-N 2 0 321.465 0.899 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001733444743 1186272909 /nfs/dbraw/zinc/27/29/09/1186272909.db2.gz FHOWCTOYPPVHSF-RHSMWYFYSA-N 2 0 322.453 0.069 20 30 DCEDRP C=CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001733618171 1186370784 /nfs/dbraw/zinc/37/07/84/1186370784.db2.gz LFMPJKRZJFDLFY-INIZCTEOSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CC[NH2+]CC[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001733668469 1186395782 /nfs/dbraw/zinc/39/57/82/1186395782.db2.gz MUKZRTJNQKMYCN-HNNXBMFYSA-N 2 0 317.437 0.520 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC(CC)([NH2+]CCO)CC2)CC1 ZINC001733809802 1186457132 /nfs/dbraw/zinc/45/71/32/1186457132.db2.gz VZNJXJWWTHTPMO-UHFFFAOYSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC(O)(C[NH2+]CC=C)CC2)CC1 ZINC001733889875 1186488501 /nfs/dbraw/zinc/48/85/01/1186488501.db2.gz VSORTNMYPQERSP-UHFFFAOYSA-N 2 0 319.449 0.461 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001734172548 1186568153 /nfs/dbraw/zinc/56/81/53/1186568153.db2.gz CZCJQWBJJGKWEX-VQHPVUNQSA-N 2 0 319.449 0.272 20 30 DCEDRP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001734307496 1186611450 /nfs/dbraw/zinc/61/14/50/1186611450.db2.gz BBSUKJIXEXXNEV-WBVHZDCISA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001734479585 1186663186 /nfs/dbraw/zinc/66/31/86/1186663186.db2.gz XKBNVYPALAKINX-HZPDHXFCSA-N 2 0 321.465 0.853 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001752733607 1188436030 /nfs/dbraw/zinc/43/60/30/1188436030.db2.gz USAPJHKVLZEYNH-ZNMIVQPWSA-N 2 0 322.453 0.400 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001753349041 1188571295 /nfs/dbraw/zinc/57/12/95/1188571295.db2.gz HQXRKZBQETUWES-BRWVUGGUSA-N 2 0 321.465 0.757 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001753352007 1188572011 /nfs/dbraw/zinc/57/20/11/1188572011.db2.gz JBCPKOPPZVGIOR-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@@H](C)[NH2+]CCO)C2)CC1 ZINC001753800977 1188656369 /nfs/dbraw/zinc/65/63/69/1188656369.db2.gz HYVHGLJLMLZHAI-WBVHZDCISA-N 2 0 321.465 0.541 20 30 DCEDRP CC#CC[NH2+]CC[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001754014223 1188711287 /nfs/dbraw/zinc/71/12/87/1188711287.db2.gz BYZKLAKGFLXUFN-AWEZNQCLSA-N 2 0 305.426 0.566 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001754103499 1188740398 /nfs/dbraw/zinc/74/03/98/1188740398.db2.gz KUFNZWPYMPGTEJ-WFVIONGDSA-N 2 0 320.437 0.130 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]C[C@H](CC)OC)CC1 ZINC001754296403 1188812268 /nfs/dbraw/zinc/81/22/68/1188812268.db2.gz KTIXGLUYBDFSQM-HOCLYGCPSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)CCO1 ZINC001755002079 1188992083 /nfs/dbraw/zinc/99/20/83/1188992083.db2.gz KMHFSEKZQAQJHO-CQSZACIVSA-N 2 0 321.425 0.061 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001755138501 1189033915 /nfs/dbraw/zinc/03/39/15/1189033915.db2.gz BDOCWIZBCMURGP-HOTGVXAUSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001755211335 1189056200 /nfs/dbraw/zinc/05/62/00/1189056200.db2.gz PMUYXTLJNFHIES-PRLABOORSA-N 2 0 307.438 0.461 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001755663535 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LAVUJUCYYZMPAK-BZUAXINKSA-N 2 0 309.454 0.825 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001209453549 746999383 /nfs/dbraw/zinc/99/93/83/746999383.db2.gz AHIXUFYRXYXBQJ-LSDHHAIUSA-N 2 0 322.453 0.306 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@@H](C)n1ccnc1 ZINC001167428218 747184414 /nfs/dbraw/zinc/18/44/14/747184414.db2.gz HZOUVDJWHPGTHS-ZIAGYGMSSA-N 2 0 319.409 0.068 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)C[NH+](CC)CC)CC1 ZINC001167486464 747287463 /nfs/dbraw/zinc/28/74/63/747287463.db2.gz FBCITORBECBDIQ-UHFFFAOYSA-N 2 0 324.469 0.507 20 30 DCEDRP C#CCC[NH+](CCO)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001098572384 747446351 /nfs/dbraw/zinc/44/63/51/747446351.db2.gz FNJNZOURYOLORG-UHFFFAOYSA-N 2 0 309.454 0.635 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@H]2O)CC1 ZINC001078226984 753122025 /nfs/dbraw/zinc/12/20/25/753122025.db2.gz CSYXNKLDUQAPFT-IAGOWNOFSA-N 2 0 319.449 0.293 20 30 DCEDRP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046500714 753752924 /nfs/dbraw/zinc/75/29/24/753752924.db2.gz DAJOZJSIYNNGNZ-OBKBAYEDSA-N 2 0 305.422 0.616 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN(C)CCO1 ZINC001049392304 755247243 /nfs/dbraw/zinc/24/72/43/755247243.db2.gz XNWLBVBMMKJFCK-OAGGEKHMSA-N 2 0 307.438 0.958 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001083908775 755449537 /nfs/dbraw/zinc/44/95/37/755449537.db2.gz WHGJTLRWWUXMBB-CVEARBPZSA-N 2 0 307.438 0.291 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001090380889 757271855 /nfs/dbraw/zinc/27/18/55/757271855.db2.gz HGOBMJYABWZAKX-CVEARBPZSA-N 2 0 314.389 0.994 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)CC)C[C@@H]2O)CC1 ZINC001084088022 757667447 /nfs/dbraw/zinc/66/74/47/757667447.db2.gz MIATVDUVFXRBRN-UAGQMJEPSA-N 2 0 321.465 0.539 20 30 DCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)CC1 ZINC001050525942 757796417 /nfs/dbraw/zinc/79/64/17/757796417.db2.gz ORBHEMUWBXJCSK-JKSUJKDBSA-N 2 0 317.433 0.407 20 30 DCEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084834375 758072675 /nfs/dbraw/zinc/07/26/75/758072675.db2.gz XTXYMAVCNYOPRR-BZUAXINKSA-N 2 0 307.438 0.673 20 30 DCEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001085866268 759404542 /nfs/dbraw/zinc/40/45/42/759404542.db2.gz DFROGVFHQCTHJR-INIZCTEOSA-N 2 0 317.437 0.614 20 30 DCEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001086431685 760182628 /nfs/dbraw/zinc/18/26/28/760182628.db2.gz AAYGSDSLKVUAEJ-MLURZJSDSA-N 2 0 305.422 0.520 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001148161336 767926968 /nfs/dbraw/zinc/92/69/68/767926968.db2.gz UEALEYSVNRYBLK-UHFFFAOYSA-N 2 0 319.449 0.512 20 30 DCEDRP C=CCOCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001148292889 767959782 /nfs/dbraw/zinc/95/97/82/767959782.db2.gz YXTWZAVXJPIAAT-HZPDHXFCSA-N 2 0 321.465 0.921 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169808051 760867743 /nfs/dbraw/zinc/86/77/43/760867743.db2.gz AXULEXNOZMCOBC-GJZGRUSLSA-N 2 0 322.453 0.095 20 30 DCEDRP C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC001071241365 761732961 /nfs/dbraw/zinc/73/29/61/761732961.db2.gz SVWKGUMJCNKWHZ-AEFFLSMTSA-N 2 0 319.449 0.797 20 30 DCEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)COCC[NH+](C)C ZINC001099547530 762896543 /nfs/dbraw/zinc/89/65/43/762896543.db2.gz HEFUJMCHLYPXTR-NXOAAHMSSA-N 2 0 319.449 0.367 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129410172 762931112 /nfs/dbraw/zinc/93/11/12/762931112.db2.gz FHUXZOBTCITQPF-AWEZNQCLSA-N 2 0 310.442 0.257 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)CC(F)(F)F ZINC001129770384 763006757 /nfs/dbraw/zinc/00/67/57/763006757.db2.gz FHEVIBCKAKNCJS-NEPJUHHUSA-N 2 0 321.343 0.103 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](O)C1 ZINC001099938441 763142690 /nfs/dbraw/zinc/14/26/90/763142690.db2.gz WASNFCGTOLVUEP-HZPDHXFCSA-N 2 0 321.465 0.826 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001130200223 763183935 /nfs/dbraw/zinc/18/39/35/763183935.db2.gz GNAMULZEMBELMR-CQSZACIVSA-N 2 0 310.442 0.233 20 30 DCEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130669525 763427437 /nfs/dbraw/zinc/42/74/37/763427437.db2.gz GDXLEFGBFVIFPE-GOEBONIOSA-N 2 0 319.453 0.832 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1c1cn(C)cn1 ZINC001130719407 763457994 /nfs/dbraw/zinc/45/79/94/763457994.db2.gz OIUDXBHZSCXILU-GOEBONIOSA-N 2 0 317.437 0.279 20 30 DCEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001100989344 763901777 /nfs/dbraw/zinc/90/17/77/763901777.db2.gz UUEQMRMJWSUILT-FHERZECASA-N 2 0 307.438 0.462 20 30 DCEDRP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815584 764344754 /nfs/dbraw/zinc/34/47/54/764344754.db2.gz LTSWWBIGAKGHSU-BZUAXINKSA-N 2 0 309.454 0.967 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133288269 764907936 /nfs/dbraw/zinc/90/79/36/764907936.db2.gz TXSQRZLIGXVKHZ-UHFFFAOYSA-N 2 0 324.469 0.459 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H](CC)[NH+](CC)CC)C1=O ZINC001133690756 765095871 /nfs/dbraw/zinc/09/58/71/765095871.db2.gz VPMVZHQPANYAHD-CABCVRRESA-N 2 0 324.469 0.600 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2ccnc2)C1 ZINC001112021325 765450623 /nfs/dbraw/zinc/45/06/23/765450623.db2.gz HFXXPWRDXGCUHX-RDJZCZTQSA-N 2 0 316.405 0.504 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CC#CCOC)C[C@H]21 ZINC001115154094 765611449 /nfs/dbraw/zinc/61/14/49/765611449.db2.gz DRPIKFJQKAEVPN-QLPKVWCKSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001134736660 765650799 /nfs/dbraw/zinc/65/07/99/765650799.db2.gz HXXCLVZLXKJPDH-GJZGRUSLSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134766258 765660700 /nfs/dbraw/zinc/66/07/00/765660700.db2.gz FTFRQHWTGKARSZ-HUUCEWRRSA-N 2 0 322.453 0.093 20 30 DCEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001135804907 766124248 /nfs/dbraw/zinc/12/42/48/766124248.db2.gz QWAQLPMUDASOGX-LSDHHAIUSA-N 2 0 309.454 0.993 20 30 DCEDRP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135925104 766173260 /nfs/dbraw/zinc/17/32/60/766173260.db2.gz YGICFODENQRGDR-LSDHHAIUSA-N 2 0 315.458 0.640 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135976212 766197988 /nfs/dbraw/zinc/19/79/88/766197988.db2.gz HWSSNVSISJADCX-UONOGXRCSA-N 2 0 312.458 0.503 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001090671032 766452274 /nfs/dbraw/zinc/45/22/74/766452274.db2.gz FUXXYSYGUFDVMM-HOTGVXAUSA-N 2 0 307.438 0.293 20 30 DCEDRP C=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001090691722 766480519 /nfs/dbraw/zinc/48/05/19/766480519.db2.gz ICKVVIQPDMAZQR-HOTGVXAUSA-N 2 0 309.454 0.844 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171160884 766866299 /nfs/dbraw/zinc/86/62/99/766866299.db2.gz JVDHPEIDLBDGOH-CVEARBPZSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CC[NH2+]CC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001121928418 767671866 /nfs/dbraw/zinc/67/18/66/767671866.db2.gz OVIZJFLSOODRGL-UHFFFAOYSA-N 2 0 315.421 0.063 20 30 DCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001122186689 767736273 /nfs/dbraw/zinc/73/62/73/767736273.db2.gz XURMNLCQBGWNMM-XOGYLQAWSA-N 2 0 319.449 0.605 20 30 DCEDRP C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110160473 769144048 /nfs/dbraw/zinc/14/40/48/769144048.db2.gz QGBOBSMNHLTJPH-ILXRZTDVSA-N 2 0 322.453 0.350 20 30 DCEDRP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151106611 769263690 /nfs/dbraw/zinc/26/36/90/769263690.db2.gz FBPLVJCKISXLSU-OAHLLOKOSA-N 2 0 324.469 0.601 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC001233741236 769437085 /nfs/dbraw/zinc/43/70/85/769437085.db2.gz RWEKGXGRYNJLJH-UHFFFAOYSA-N 2 0 306.454 0.973 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2conc2C)CC1 ZINC001152330805 769529976 /nfs/dbraw/zinc/52/99/76/769529976.db2.gz VNAZSWBOYOPSAN-UHFFFAOYSA-N 2 0 304.394 0.534 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCOCC2CC2)CC1 ZINC001176926223 770225840 /nfs/dbraw/zinc/22/58/40/770225840.db2.gz JSKFQEGVRCVVBA-UHFFFAOYSA-N 2 0 321.465 0.854 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C[C@@H](CC)OC)CC1 ZINC001176926607 770227418 /nfs/dbraw/zinc/22/74/18/770227418.db2.gz QDZXHBIXSOXNRY-MRXNPFEDSA-N 2 0 309.454 0.853 20 30 DCEDRP C[NH+](C)C[C@@H]1COCCN1c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001154961095 770352782 /nfs/dbraw/zinc/35/27/82/770352782.db2.gz KAPWHDBAIVPGCU-CQSZACIVSA-N 2 0 315.421 0.756 20 30 DCEDRP COC(=O)[C@@H](Nc1ncc2c(c1C#N)CCC[NH2+]C2)C(C)(C)[NH3+] ZINC001155360833 770477551 /nfs/dbraw/zinc/47/75/51/770477551.db2.gz DVJFYBIQXPCHGB-CYBMUJFWSA-N 2 0 317.393 0.680 20 30 DCEDRP N#Cc1c(N[C@H]2COCCC23C[NH2+]C3)ncc2c1CCC[NH2+]C2 ZINC001155462837 770511213 /nfs/dbraw/zinc/51/12/13/770511213.db2.gz QKOIUAXLQXFZKC-HNNXBMFYSA-N 2 0 313.405 0.779 20 30 DCEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001179080582 770945258 /nfs/dbraw/zinc/94/52/58/770945258.db2.gz FKBFKTYQHIHMEP-PQUAAJSLSA-N 2 0 319.449 0.749 20 30 DCEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001156908406 770961861 /nfs/dbraw/zinc/96/18/61/770961861.db2.gz WYLQTZSAZHIWDF-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001179371139 770999838 /nfs/dbraw/zinc/99/98/38/770999838.db2.gz KDJSOCAEXSPHPX-INIZCTEOSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CC[NH2+]CCCCCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001179792636 771016625 /nfs/dbraw/zinc/01/66/25/771016625.db2.gz VFLAJLBBEKVVEQ-UHFFFAOYSA-N 2 0 319.453 0.958 20 30 DCEDRP COCC#CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001180265536 771089326 /nfs/dbraw/zinc/08/93/26/771089326.db2.gz UVHXNVWHSXCMRX-INIZCTEOSA-N 2 0 309.454 0.854 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CCCO)CC1 ZINC001157092416 771532401 /nfs/dbraw/zinc/53/24/01/771532401.db2.gz XCXFVJMYOVXMPS-OAHLLOKOSA-N 2 0 309.454 0.541 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC#CCOC)C1 ZINC001183040351 771596082 /nfs/dbraw/zinc/59/60/82/771596082.db2.gz PMIDOVOGMDFSMK-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOCC(C)C)C1 ZINC001183353892 771637464 /nfs/dbraw/zinc/63/74/64/771637464.db2.gz GFOODNMJLOVHFF-SJORKVTESA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183449646 771650191 /nfs/dbraw/zinc/65/01/91/771650191.db2.gz BTQYMFRNMUFMQK-ZNMIVQPWSA-N 2 0 324.469 0.454 20 30 DCEDRP COC(=O)c1cc(C#N)cnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001157916347 771692904 /nfs/dbraw/zinc/69/29/04/771692904.db2.gz UXBABVVSCVRDEE-UHFFFAOYSA-N 2 0 302.338 0.334 20 30 DCEDRP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158421978 771772024 /nfs/dbraw/zinc/77/20/24/771772024.db2.gz HFFIYOZTXPEWJC-YYIAUSFCSA-N 2 0 310.401 0.824 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159861657 771969842 /nfs/dbraw/zinc/96/98/42/771969842.db2.gz PUGWRZCUGUHTFF-ZDUSSCGKSA-N 2 0 310.442 0.257 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC12CCOCC2 ZINC001186311010 772030998 /nfs/dbraw/zinc/03/09/98/772030998.db2.gz PONLROIACXBXTP-HOTGVXAUSA-N 2 0 319.449 0.559 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187231311 772149852 /nfs/dbraw/zinc/14/98/52/772149852.db2.gz IWRPLFJVVLXMDA-LSDHHAIUSA-N 2 0 324.469 0.600 20 30 DCEDRP N#Cc1ccc(O[C@H]2CCCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C2)cc1 ZINC001161325234 772205459 /nfs/dbraw/zinc/20/54/59/772205459.db2.gz YTKAGOHNHUYNDI-HOTGVXAUSA-N 2 0 316.405 0.994 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C)(COC)CC1 ZINC001162171084 772335599 /nfs/dbraw/zinc/33/55/99/772335599.db2.gz IELUATZKHDETOF-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188964205 772392865 /nfs/dbraw/zinc/39/28/65/772392865.db2.gz ZMVKHIWLUQLNSC-JKSUJKDBSA-N 2 0 319.449 0.511 20 30 DCEDRP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)(COC)CC1 ZINC001162603959 772396489 /nfs/dbraw/zinc/39/64/89/772396489.db2.gz FEDHORXJUGEGPK-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001190675576 772662745 /nfs/dbraw/zinc/66/27/45/772662745.db2.gz REJDOXVHGINEDE-MRXNPFEDSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC#CCOC)C1 ZINC001190723076 772668541 /nfs/dbraw/zinc/66/85/41/772668541.db2.gz HIIMRIDAWNFINM-SJORKVTESA-N 2 0 317.433 0.267 20 30 DCEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001191430195 772767069 /nfs/dbraw/zinc/76/70/69/772767069.db2.gz CCJVWPJZHMVKSM-LPMVOBIJSA-N 2 0 317.433 0.406 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)C[N@H+]2CCC[C@@H]2C)C1=O ZINC001166627063 772831125 /nfs/dbraw/zinc/83/11/25/772831125.db2.gz PALYLVTUWZJNQM-GJZGRUSLSA-N 2 0 322.453 0.354 20 30 DCEDRP CC[NH+](CC)CC(=O)N[C@H]1C[C@@H]([NH2+]CC#CCOC)C12CCC2 ZINC001203522681 772911390 /nfs/dbraw/zinc/91/13/90/772911390.db2.gz NXSMTQXRPWUFII-CVEARBPZSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001205344187 772988325 /nfs/dbraw/zinc/98/83/25/772988325.db2.gz CKGZOKAJHLQXER-CVEARBPZSA-N 2 0 307.438 0.864 20 30 DCEDRP C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001193446959 773061223 /nfs/dbraw/zinc/06/12/23/773061223.db2.gz FKKOOFVSHGNHOT-MGPQQGTHSA-N 2 0 301.406 0.404 20 30 DCEDRP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001193912337 773128591 /nfs/dbraw/zinc/12/85/91/773128591.db2.gz WTBXLOFXTSSQMC-QHSBEEBCSA-N 2 0 304.394 0.641 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[NH2+]CCOC)CC2)CC1 ZINC001206949272 773145892 /nfs/dbraw/zinc/14/58/92/773145892.db2.gz XIYCOGOBKPSJDW-UHFFFAOYSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208454323 773467247 /nfs/dbraw/zinc/46/72/47/773467247.db2.gz VAEOMCLKFBKRLS-AWEZNQCLSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001208494143 773477461 /nfs/dbraw/zinc/47/74/61/773477461.db2.gz HSJFLLQJEKIYMU-KFWWJZLASA-N 2 0 322.453 0.162 20 30 DCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001208739197 773523085 /nfs/dbraw/zinc/52/30/85/773523085.db2.gz PWJJECNCTORVQE-BRWVUGGUSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCCC[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001209267289 773577227 /nfs/dbraw/zinc/57/72/27/773577227.db2.gz NTBWHAFVMCWZQP-UHFFFAOYSA-N 2 0 321.465 0.902 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001209633360 773627603 /nfs/dbraw/zinc/62/76/03/773627603.db2.gz SWZHTSXFUQPLLN-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+][C@@H](C)COC)C2)CC1 ZINC001211233690 773784477 /nfs/dbraw/zinc/78/44/77/773784477.db2.gz LUPXAJUKTPFOKS-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211267836 773787611 /nfs/dbraw/zinc/78/76/11/773787611.db2.gz DNIDXBMKGHTVMV-CQSZACIVSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CCCO)CC2)CC1 ZINC001203888856 773829995 /nfs/dbraw/zinc/82/99/95/773829995.db2.gz QOFDKKXTROLQKU-UHFFFAOYSA-N 2 0 307.438 0.295 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214645875 774005534 /nfs/dbraw/zinc/00/55/34/774005534.db2.gz HZVXRHZEBSJVAM-HYVNUMGLSA-N 2 0 319.449 0.415 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001215298692 774056566 /nfs/dbraw/zinc/05/65/66/774056566.db2.gz CQGNOVHGMVTTHY-HZPDHXFCSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370605 774099233 /nfs/dbraw/zinc/09/92/33/774099233.db2.gz ZYTRFNBSDDMDLY-HZPDHXFCSA-N 2 0 309.454 0.990 20 30 DCEDRP N#Cc1c(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)sc2c1CCC2 ZINC001218549434 774243967 /nfs/dbraw/zinc/24/39/67/774243967.db2.gz WKHAHOCSYFFJMZ-LLVKDONJSA-N 2 0 302.403 0.856 20 30 DCEDRP N#Cc1c(NC(=O)[C@]23C[NH2+]C[C@H]2CCN3)sc2c1CC[NH2+]C2 ZINC001218552677 774246305 /nfs/dbraw/zinc/24/63/05/774246305.db2.gz JGGYKAUONCKHRR-PSLIRLAXSA-N 2 0 317.418 0.155 20 30 DCEDRP C#CCN1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@H]2C1 ZINC001218623588 774265820 /nfs/dbraw/zinc/26/58/20/774265820.db2.gz CTCQJFSKKJKNTE-OWCLPIDISA-N 2 0 307.438 0.652 20 30 DCEDRP N=C(c1ccccc1N)N(O)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218964893 774336434 /nfs/dbraw/zinc/33/64/34/774336434.db2.gz FIDLCMHQFPJOKW-MEBBXXQBSA-N 2 0 303.366 0.011 20 30 DCEDRP C=CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001219032290 774351267 /nfs/dbraw/zinc/35/12/67/774351267.db2.gz ZDODMQCKSKFYMH-HRCADAONSA-N 2 0 323.437 0.052 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCO1 ZINC001200553865 774361783 /nfs/dbraw/zinc/36/17/83/774361783.db2.gz BHAMQEVINJOPRB-OWCLPIDISA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCCO1 ZINC001201226473 774467311 /nfs/dbraw/zinc/46/73/11/774467311.db2.gz YMSDMELSVBMGEC-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001201239398 774469112 /nfs/dbraw/zinc/46/91/12/774469112.db2.gz KNVWMVUMDZOZCW-DZGCQCFKSA-N 2 0 322.453 0.045 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CCCO1 ZINC001201402311 774501157 /nfs/dbraw/zinc/50/11/57/774501157.db2.gz CHFAIFYBUGYSJP-HOTGVXAUSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)CCCO1 ZINC001201391100 774505424 /nfs/dbraw/zinc/50/54/24/774505424.db2.gz XIEKZYWXZHNBMG-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCCO1 ZINC001201576632 774527220 /nfs/dbraw/zinc/52/72/20/774527220.db2.gz LVHDCGQOZDOEPJ-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001202496765 774729608 /nfs/dbraw/zinc/72/96/08/774729608.db2.gz XRFIVDZZHNAOFY-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001202531686 774886312 /nfs/dbraw/zinc/88/63/12/774886312.db2.gz KNVWMVUMDZOZCW-ZFWWWQNUSA-N 2 0 322.453 0.045 20 30 DCEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220868786 774940089 /nfs/dbraw/zinc/94/00/89/774940089.db2.gz UMCFMXJEFNPQSQ-LSDHHAIUSA-N 3 0 306.454 0.627 20 30 DCEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001220868886 774940142 /nfs/dbraw/zinc/94/01/42/774940142.db2.gz YGXUXLFGNNWKIC-KKUMJFAQSA-N 2 0 324.469 0.631 20 30 DCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221408605 775091468 /nfs/dbraw/zinc/09/14/68/775091468.db2.gz JJLPMATVIROEII-DLBZAZTESA-N 2 0 312.417 0.932 20 30 DCEDRP COCC#CC[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001228889025 776134770 /nfs/dbraw/zinc/13/47/70/776134770.db2.gz PNWAVKZSNPNUJK-UHFFFAOYSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH+]1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001230034657 776245824 /nfs/dbraw/zinc/24/58/24/776245824.db2.gz LCCOSWSMWXZJKT-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](CC(N)=O)CC3)cc1C#N ZINC001277982381 945079894 /nfs/dbraw/zinc/07/98/94/945079894.db2.gz WWIKIELGDYJNBR-UHFFFAOYSA-N 2 0 315.421 0.670 20 30 DCEDRP C#CC[NH2+][C@H](CO)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001278154951 945158554 /nfs/dbraw/zinc/15/85/54/945158554.db2.gz JPNQFJAOUHPNKO-INIZCTEOSA-N 2 0 303.406 0.104 20 30 DCEDRP COCC#CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001317684355 945164289 /nfs/dbraw/zinc/16/42/89/945164289.db2.gz XYSQSUDAOYGKAK-INIZCTEOSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](CCO)CC1 ZINC001278176863 945167717 /nfs/dbraw/zinc/16/77/17/945167717.db2.gz CIWQRTWDJKZUGP-INIZCTEOSA-N 2 0 307.438 0.389 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001266275949 939042330 /nfs/dbraw/zinc/04/23/30/939042330.db2.gz SGMLXXROQNQNDG-UHFFFAOYSA-N 2 0 320.481 0.475 20 30 DCEDRP COCC#CC[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001266347937 939086884 /nfs/dbraw/zinc/08/68/84/939086884.db2.gz TXKDVKAHSPBJNW-HOTGVXAUSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCNC(=O)CN(CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266411511 939109608 /nfs/dbraw/zinc/10/96/08/939109608.db2.gz XVTIDFTVUWBZKO-AWEZNQCLSA-N 2 0 310.442 0.211 20 30 DCEDRP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]([NH2+]CC#CCOC)C1 ZINC001266529967 939153275 /nfs/dbraw/zinc/15/32/75/939153275.db2.gz RZBQSQQITGANHU-LSDHHAIUSA-N 2 0 313.417 0.507 20 30 DCEDRP C=CCC[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001266553545 939161957 /nfs/dbraw/zinc/16/19/57/939161957.db2.gz OYRALWPUGAKZRR-HNNXBMFYSA-N 2 0 305.426 0.825 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001278349568 945235281 /nfs/dbraw/zinc/23/52/81/945235281.db2.gz IYKMKGZUDWFCQP-QGZVFWFLSA-N 2 0 320.481 0.568 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001266751148 939230024 /nfs/dbraw/zinc/23/00/24/939230024.db2.gz CGTZECOVFOGJDT-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001279531032 939265951 /nfs/dbraw/zinc/26/59/51/939265951.db2.gz YLKKIMQNMZKASB-GOSISDBHSA-N 2 0 321.465 0.829 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001267071280 939331161 /nfs/dbraw/zinc/33/11/61/939331161.db2.gz UEZCJZRKRQOKBZ-HUUCEWRRSA-N 2 0 324.469 0.455 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001267110754 939347663 /nfs/dbraw/zinc/34/76/63/939347663.db2.gz ICHSJSGPNMVIIT-CABCVRRESA-N 2 0 324.469 0.552 20 30 DCEDRP C#CC[N@@H+](C)CC1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001267602608 939545735 /nfs/dbraw/zinc/54/57/35/939545735.db2.gz HAAHMVSRLZDZBM-UHFFFAOYSA-N 2 0 321.465 0.901 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001481069930 939547574 /nfs/dbraw/zinc/54/75/74/939547574.db2.gz DDHITQTXADLNTE-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCOCC[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001481109527 939564112 /nfs/dbraw/zinc/56/41/12/939564112.db2.gz RGJKNGPXFMWLDH-HNNXBMFYSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCO)CC(C)C)CC1 ZINC001496302046 939582961 /nfs/dbraw/zinc/58/29/61/939582961.db2.gz VZMOFSDLHJNGLS-INIZCTEOSA-N 2 0 309.454 0.444 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)C2CC[NH+](CC#C)CC2)CCCC1 ZINC001267846240 939693638 /nfs/dbraw/zinc/69/36/38/939693638.db2.gz BMUIYVIXIBBHPJ-UHFFFAOYSA-N 2 0 301.434 0.983 20 30 DCEDRP C=CCOCC[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001318137201 945273322 /nfs/dbraw/zinc/27/33/22/945273322.db2.gz XHIXGHSMTVFGBI-UHFFFAOYSA-N 2 0 307.438 0.865 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCOC)CC1 ZINC001481682794 940032422 /nfs/dbraw/zinc/03/24/22/940032422.db2.gz IDBVMOHNWQOURK-IRXDYDNUSA-N 2 0 319.449 0.653 20 30 DCEDRP C#CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001318300290 945312903 /nfs/dbraw/zinc/31/29/03/945312903.db2.gz XNIHSQRGGSXNKH-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C2(CNC(=O)[C@@H]3CCC[N@H+]3C)CC2)C1=O ZINC001269388134 940697768 /nfs/dbraw/zinc/69/77/68/940697768.db2.gz GOHGLVGUBDVGQY-KGLIPLIRSA-N 2 0 320.437 0.106 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001270193155 940853013 /nfs/dbraw/zinc/85/30/13/940853013.db2.gz HDYNKAYSQBTNSW-HUUCEWRRSA-N 2 0 324.469 0.598 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]C[C@@H](C)OC)CC1 ZINC001270194888 940853541 /nfs/dbraw/zinc/85/35/41/940853541.db2.gz WUHXCRJWJRMECN-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001270847735 941010584 /nfs/dbraw/zinc/01/05/84/941010584.db2.gz QGUCJOCKKWWOBO-FUHWJXTLSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCCC[NH+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001271209158 941322490 /nfs/dbraw/zinc/32/24/90/941322490.db2.gz MDWLIZWWWCPICA-DOTOQJQBSA-N 2 0 309.454 0.847 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001271711918 941428158 /nfs/dbraw/zinc/42/81/58/941428158.db2.gz MUNSIWMJNIIMSU-GJZGRUSLSA-N 2 0 322.453 0.069 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001271956039 941491432 /nfs/dbraw/zinc/49/14/32/941491432.db2.gz AJMAUVJRCXLYEY-FUHWJXTLSA-N 2 0 319.449 0.295 20 30 DCEDRP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001271956066 941491561 /nfs/dbraw/zinc/49/15/61/941491561.db2.gz ATSUAJYEFAISHC-FUHWJXTLSA-N 2 0 321.465 0.826 20 30 DCEDRP C=CCCC[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001482741852 941652296 /nfs/dbraw/zinc/65/22/96/941652296.db2.gz MYQQYPXCCASUJO-OAHLLOKOSA-N 2 0 309.454 0.895 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001272196128 941793397 /nfs/dbraw/zinc/79/33/97/941793397.db2.gz JDZGIDCQWVHLQO-JKSUJKDBSA-N 2 0 307.438 0.437 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC#CCOC ZINC001496908226 942331290 /nfs/dbraw/zinc/33/12/90/942331290.db2.gz LZTWMPYKXQCACG-HZPDHXFCSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]C[C@@H](C)OC)C2CC2)CC1 ZINC001483608669 942461423 /nfs/dbraw/zinc/46/14/23/942461423.db2.gz UPXPEBPUWFPZGX-PBHICJAKSA-N 2 0 321.465 0.851 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001272301515 942674318 /nfs/dbraw/zinc/67/43/18/942674318.db2.gz JTVFZNRSEYWWQH-IAGOWNOFSA-N 2 0 321.465 0.853 20 30 DCEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001272381141 942726571 /nfs/dbraw/zinc/72/65/71/942726571.db2.gz QJQVSERFKXAXGB-SJORKVTESA-N 2 0 315.417 0.199 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCO)C[C@H]2C)CC1 ZINC001483913056 943020163 /nfs/dbraw/zinc/02/01/63/943020163.db2.gz FDJIROLKIODMGN-NVXWUHKLSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CCNC(=O)[C@@H](C)N1CC[C@](C)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001484065199 943131736 /nfs/dbraw/zinc/13/17/36/943131736.db2.gz SMMAYJBQEJSPMB-PBHICJAKSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCOCC1 ZINC001484863913 943606350 /nfs/dbraw/zinc/60/63/50/943606350.db2.gz GKYWIIXORXCVGI-HNNXBMFYSA-N 2 0 305.422 0.216 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001484954141 943636305 /nfs/dbraw/zinc/63/63/05/943636305.db2.gz GVZHZXPLVYUDTK-AWEZNQCLSA-N 2 0 313.417 0.243 20 30 DCEDRP COCC#CC[NH2+]C1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001491370893 943945619 /nfs/dbraw/zinc/94/56/19/943945619.db2.gz GCUURTZIGXFCIF-GTPINHCMSA-N 2 0 321.465 0.995 20 30 DCEDRP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001485715618 944094276 /nfs/dbraw/zinc/09/42/76/944094276.db2.gz CIRKBXOHKIKPMG-QWHCGFSZSA-N 2 0 303.834 0.944 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCC[NH2+][C@@H](C)C(N)=O)CC1 ZINC001485752007 944120194 /nfs/dbraw/zinc/12/01/94/944120194.db2.gz SJTYJOAKYFLACT-KGLIPLIRSA-N 2 0 322.453 0.080 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001276588593 944223624 /nfs/dbraw/zinc/22/36/24/944223624.db2.gz JYRDHGLDZOBNPP-IRXDYDNUSA-N 2 0 319.449 0.462 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCOC)[C@H]2C)CC1 ZINC001486096962 944554805 /nfs/dbraw/zinc/55/48/05/944554805.db2.gz SRTPAUPWWWIHMR-GDBMZVCRSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001277058465 944643352 /nfs/dbraw/zinc/64/33/52/944643352.db2.gz HRQYVMNQNMINRP-KOMQPUFPSA-N 2 0 317.437 0.566 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001317135899 944819443 /nfs/dbraw/zinc/81/94/43/944819443.db2.gz TZUIOTSNVIWMGL-GJZGRUSLSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001486476924 944912685 /nfs/dbraw/zinc/91/26/85/944912685.db2.gz TUKYJGNCDWKVKA-NFOMZHRRSA-N 2 0 322.453 0.209 20 30 DCEDRP CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CCN[C@H](C#N)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246683858 945460116 /nfs/dbraw/zinc/46/01/16/945460116.db2.gz UXYODPDRXYKMTN-MPTYRVRUSA-N 2 0 320.437 0.495 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]C[C@@H]2CCOC2)CC1 ZINC001319285608 945540350 /nfs/dbraw/zinc/54/03/50/945540350.db2.gz NHKBOPRYRKEVSD-CVEARBPZSA-N 2 0 321.465 0.710 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CCC[C@H](C)O)CC1 ZINC001319590341 945626958 /nfs/dbraw/zinc/62/69/58/945626958.db2.gz QZWYDPGPIUDBPW-CVEARBPZSA-N 2 0 323.481 0.929 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001278543097 945652335 /nfs/dbraw/zinc/65/23/35/945652335.db2.gz XOHQSLGTOJBGOR-RHSMWYFYSA-N 2 0 324.469 0.457 20 30 DCEDRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC#Cc2ccccc2)C1 ZINC001320313797 945817257 /nfs/dbraw/zinc/81/72/57/945817257.db2.gz NPDJRVGIMXJLHP-IRXDYDNUSA-N 2 0 315.417 0.057 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]C[C@@H](C)CC)CC1 ZINC001320316708 945820005 /nfs/dbraw/zinc/82/00/05/945820005.db2.gz NNOSKCRVSSVNSY-HOCLYGCPSA-N 2 0 309.454 0.444 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001278652913 945874546 /nfs/dbraw/zinc/87/45/46/945874546.db2.gz GRXJJZHZJNDDKK-WMZOPIPTSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCOCC1 ZINC001278728138 946126430 /nfs/dbraw/zinc/12/64/30/946126430.db2.gz CIVAJMWAGGOEMH-OAHLLOKOSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCC[NH+]1CC[C@](O)(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001278820515 946444063 /nfs/dbraw/zinc/44/40/63/946444063.db2.gz BEPYJAYPFGTXOP-IRXDYDNUSA-N 2 0 307.438 0.601 20 30 DCEDRP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001278859563 946492758 /nfs/dbraw/zinc/49/27/58/946492758.db2.gz DKZZJFYRRYVWMT-CVEARBPZSA-N 2 0 309.454 0.635 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001322003813 946546516 /nfs/dbraw/zinc/54/65/16/946546516.db2.gz CRCOZRABBJRUBB-GJZGRUSLSA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001273753212 948066559 /nfs/dbraw/zinc/06/65/59/948066559.db2.gz SGXZESYWOVQIJJ-KGLIPLIRSA-N 2 0 310.442 0.067 20 30 DCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001326827088 948293958 /nfs/dbraw/zinc/29/39/58/948293958.db2.gz BOVBBYUECLJKCC-KFWWJZLASA-N 2 0 308.426 0.752 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001327576399 948557547 /nfs/dbraw/zinc/55/75/47/948557547.db2.gz GBVNAHPKPDKRLM-AEFFLSMTSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1CC ZINC001264070145 948859642 /nfs/dbraw/zinc/85/96/42/948859642.db2.gz KLVGUTJRRCGIRL-YESZJQIVSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001264395383 948958784 /nfs/dbraw/zinc/95/87/84/948958784.db2.gz SEIRLQDGKKOHEO-XHSDSOJGSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001265731406 949904629 /nfs/dbraw/zinc/90/46/29/949904629.db2.gz MKIIGULBVWLCAO-NRXISQOPSA-N 2 0 322.453 0.400 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001265947258 950180444 /nfs/dbraw/zinc/18/04/44/950180444.db2.gz BQIDYDZQAMVZBM-INIZCTEOSA-N 2 0 307.438 0.703 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266144542 950415643 /nfs/dbraw/zinc/41/56/43/950415643.db2.gz UJDXHNXDLDIDTQ-DZGCQCFKSA-N 2 0 322.453 0.115 20 30 DCEDRP C#CCNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001490237937 950446413 /nfs/dbraw/zinc/44/64/13/950446413.db2.gz VFHVJINZBMTGRT-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH2+]C1CCN(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001279438271 950574792 /nfs/dbraw/zinc/57/47/92/950574792.db2.gz CVDHKYXWTRRWFX-HOTGVXAUSA-N 2 0 320.481 0.520 20 30 DCEDRP CC#CC[NH2+]C1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001279431990 950575144 /nfs/dbraw/zinc/57/51/44/950575144.db2.gz VMTOTRKQUAQTDH-QGZVFWFLSA-N 2 0 320.481 0.664 20 30 DCEDRP C=C(C)CC[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001490514442 950839909 /nfs/dbraw/zinc/83/99/09/950839909.db2.gz HIKCJPLDNCQCTF-MRXNPFEDSA-N 2 0 308.470 0.638 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001331642703 951215506 /nfs/dbraw/zinc/21/55/06/951215506.db2.gz BXJIAQVNGMINHN-CABCVRRESA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001274125898 951430843 /nfs/dbraw/zinc/43/08/43/951430843.db2.gz VMBZVQUXYSEMTG-NHQLZKDQSA-N 2 0 322.453 0.423 20 30 DCEDRP C=C[C@@](C)(O)C[NH+]1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001274614628 951739237 /nfs/dbraw/zinc/73/92/37/951739237.db2.gz JYNJAAGJNTWJNB-MRXNPFEDSA-N 2 0 309.454 0.800 20 30 DCEDRP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001332661950 951749437 /nfs/dbraw/zinc/74/94/37/951749437.db2.gz BBMRZRXABNPAQP-OAHLLOKOSA-N 2 0 311.470 0.739 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001280581562 951807498 /nfs/dbraw/zinc/80/74/98/951807498.db2.gz CLBVGZOIOSORRA-HOTGVXAUSA-N 2 0 307.438 0.700 20 30 DCEDRP COCC#CC[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001333139803 951931760 /nfs/dbraw/zinc/93/17/60/951931760.db2.gz BXRBENHEDIVWGG-UYSNPLJNSA-N 2 0 309.454 0.801 20 30 DCEDRP C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001333267349 951979777 /nfs/dbraw/zinc/97/97/77/951979777.db2.gz LTYUPERSJIZYMO-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001336098960 952644348 /nfs/dbraw/zinc/64/43/48/952644348.db2.gz DFSUNEMVDSDQOT-HNNXBMFYSA-N 2 0 322.453 0.481 20 30 DCEDRP C[NH+]1CCN(CC[NH2+]CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC001338408858 953008140 /nfs/dbraw/zinc/00/81/40/953008140.db2.gz WWBLCZZCYLWYJT-UHFFFAOYSA-N 2 0 315.421 0.724 20 30 DCEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001340221402 953154997 /nfs/dbraw/zinc/15/49/97/953154997.db2.gz DDZIWCVPACEDPB-ZBFHGGJFSA-N 3 0 308.470 0.955 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC001340658776 953186115 /nfs/dbraw/zinc/18/61/15/953186115.db2.gz KJOORIPEVHGVDE-OAHLLOKOSA-N 2 0 324.469 0.777 20 30 DCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCc2[nH]cnc2[C@]12CC[NH2+]C2 ZINC001342564065 953295990 /nfs/dbraw/zinc/29/59/90/953295990.db2.gz FBBWXHWMOXLMPT-BLLLJJGKSA-N 2 0 303.410 0.667 20 30 DCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001281808807 953372704 /nfs/dbraw/zinc/37/27/04/953372704.db2.gz RSIWXIYCUVKHMB-MRXNPFEDSA-N 2 0 321.465 0.827 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001284178863 954904283 /nfs/dbraw/zinc/90/42/83/954904283.db2.gz JJHDRQKWFYNFHL-HZPDHXFCSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CC1(C)C ZINC001284336837 955018374 /nfs/dbraw/zinc/01/83/74/955018374.db2.gz WBKSYKWMIMTSHG-KBPBESRZSA-N 2 0 324.469 0.455 20 30 DCEDRP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1(C)C ZINC001284346663 955024447 /nfs/dbraw/zinc/02/44/47/955024447.db2.gz JMRLYQKAHBGTNE-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001284460393 955111003 /nfs/dbraw/zinc/11/10/03/955111003.db2.gz RYVXTSFSCAQYJT-KRWDZBQOSA-N 2 0 317.433 0.794 20 30 DCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCN(CCC(=O)OC)C[C@@H]1C ZINC001353809503 956194575 /nfs/dbraw/zinc/19/45/75/956194575.db2.gz RHKFVWXXTHWGIU-KBPBESRZSA-N 2 0 311.426 0.766 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC001367606350 958166169 /nfs/dbraw/zinc/16/61/69/958166169.db2.gz VXFVJWKAINCVCN-NSHDSACASA-N 2 0 310.423 0.138 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001491682031 959041830 /nfs/dbraw/zinc/04/18/30/959041830.db2.gz ICLUPRLGIGSBGW-HOTGVXAUSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCC[C@H](C)O)CC1 ZINC001491682504 959046283 /nfs/dbraw/zinc/04/62/83/959046283.db2.gz MBZCTSFZLWCIGB-CABCVRRESA-N 2 0 309.454 0.587 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001491736364 959162857 /nfs/dbraw/zinc/16/28/57/959162857.db2.gz JIEMTPYIVRRKEX-AWEZNQCLSA-N 2 0 320.437 0.108 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001492130062 959611333 /nfs/dbraw/zinc/61/13/33/959611333.db2.gz WUPWGICQFXVGBH-MRXNPFEDSA-N 2 0 309.454 0.997 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001502573349 1015978431 /nfs/dbraw/zinc/97/84/31/1015978431.db2.gz NFERXSUNWYAXDU-NVXWUHKLSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001502603093 1015994159 /nfs/dbraw/zinc/99/41/59/1015994159.db2.gz GCXCALOZBBHBMM-WBVHZDCISA-N 2 0 307.438 0.437 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001502603091 1015994540 /nfs/dbraw/zinc/99/45/40/1015994540.db2.gz GCXCALOZBBHBMM-NVXWUHKLSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001507116344 1015999218 /nfs/dbraw/zinc/99/92/18/1015999218.db2.gz FKCBDJHIZCQTGV-ILXRZTDVSA-N 2 0 324.469 0.455 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001507163227 1016044230 /nfs/dbraw/zinc/04/42/30/1016044230.db2.gz TWLMONQCFVPHJB-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001507206602 1016125109 /nfs/dbraw/zinc/12/51/09/1016125109.db2.gz PLCUQFWRKJFXAH-IAGOWNOFSA-N 2 0 317.433 0.445 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCCO)C2)CC1 ZINC001507428606 1016322802 /nfs/dbraw/zinc/32/28/02/1016322802.db2.gz SIPAFRSMXWRVJN-NVXWUHKLSA-N 2 0 321.465 0.589 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CCO1 ZINC001402611938 1001440790 /nfs/dbraw/zinc/44/07/90/1001440790.db2.gz XPMAOOWRBVPKAQ-JSGCOSHPSA-N 2 0 315.845 0.898 20 30 DCEDRP C#CC[NH2+]CC(C)(C)CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001505839639 1016601490 /nfs/dbraw/zinc/60/14/90/1016601490.db2.gz YQCRSEQLNLYODB-UHFFFAOYSA-N 2 0 319.453 0.766 20 30 DCEDRP N#Cc1ccc(C[NH2+][C@H](CO)CNC(=O)C[NH+]2CCCC2)s1 ZINC001425843681 1003171207 /nfs/dbraw/zinc/17/12/07/1003171207.db2.gz SLTLZFCMCWYKIK-LBPRGKRZSA-N 2 0 322.434 0.282 20 30 DCEDRP C=C(Br)C[NH2+]C[C@@H](C)NC(=O)Cn1ccnc1 ZINC001439184050 1006552061 /nfs/dbraw/zinc/55/20/61/1006552061.db2.gz GPUGQSFXVZYJGG-SNVBAGLBSA-N 2 0 301.188 0.886 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC001565383487 1012549116 /nfs/dbraw/zinc/54/91/16/1012549116.db2.gz PYQSCCYDKLCLKZ-INIZCTEOSA-N 2 0 317.437 0.939 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001479340151 1017503797 /nfs/dbraw/zinc/50/37/97/1017503797.db2.gz RDIBEPKDSLVIFF-JZXOWHBKSA-N 2 0 319.449 0.607 20 30 DCEDRP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001506752174 1017508810 /nfs/dbraw/zinc/50/88/10/1017508810.db2.gz HUTUQBROEOOGAN-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CCO1 ZINC001506847948 1017609928 /nfs/dbraw/zinc/60/99/28/1017609928.db2.gz TXSSZNNCZJFIQS-WBVHZDCISA-N 2 0 321.465 0.946 20 30 DCEDRP CC#CCN1CC[NH+](CCCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001479924191 1017981090 /nfs/dbraw/zinc/98/10/90/1017981090.db2.gz KJAYFWWCESQEDP-KRWDZBQOSA-N 2 0 322.497 0.720 20 30 DCEDRP CCC[N@H+](C)CC(=O)N[C@H]1CC12CC[NH+](CC#CCOC)CC2 ZINC001479987282 1018093881 /nfs/dbraw/zinc/09/38/81/1018093881.db2.gz YBYFDHUMBNWLEK-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)COC)C2)CC1 ZINC001480237558 1018348864 /nfs/dbraw/zinc/34/88/64/1018348864.db2.gz CSYSIZZBGZCQIN-CWRNSKLLSA-N 2 0 307.438 0.603 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C/C=C/CNC(=O)C[NH+]2CCCC2)C1=O ZINC001497751488 1018389187 /nfs/dbraw/zinc/38/91/87/1018389187.db2.gz ZLCQGHHEKRPHLL-BWPKMQGJSA-N 2 0 320.437 0.131 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@@H](C)CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001480809124 1018935012 /nfs/dbraw/zinc/93/50/12/1018935012.db2.gz RUMSQKJTXVLFBX-LSDHHAIUSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001498641465 1019295226 /nfs/dbraw/zinc/29/52/26/1019295226.db2.gz CTAUXILBHZIINQ-CQSZACIVSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001494179243 1020050414 /nfs/dbraw/zinc/05/04/14/1020050414.db2.gz CSDKRCUBXSBDIE-IRXDYDNUSA-N 2 0 321.465 0.758 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000417541931 334962279 /nfs/dbraw/zinc/96/22/79/334962279.db2.gz SHMWCLHBGSHGSD-UHFFFAOYSA-N 2 0 323.485 0.621 20 30 DCEDRP N#Cc1cncnc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000566150488 291274365 /nfs/dbraw/zinc/27/43/65/291274365.db2.gz SPYJETYPYZYDPI-UHFFFAOYSA-N 2 0 323.404 0.789 20 30 DCEDRP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000362411904 239101566 /nfs/dbraw/zinc/10/15/66/239101566.db2.gz DESSNDIARFNJSE-HNNXBMFYSA-N 2 0 307.442 0.070 20 30 DCEDRP CNC(NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)=[NH+]C ZINC000108638441 415679339 /nfs/dbraw/zinc/67/93/39/415679339.db2.gz HRAABKQGGQCYNW-OAHLLOKOSA-N 2 0 317.437 0.679 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)CC1 ZINC000343739256 415706302 /nfs/dbraw/zinc/70/63/02/415706302.db2.gz MNQDAHFOKDFNMQ-CQSZACIVSA-N 2 0 322.453 0.306 20 30 DCEDRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000329353342 416166119 /nfs/dbraw/zinc/16/61/19/416166119.db2.gz GANDWVBVXYEQEW-KFWWJZLASA-N 2 0 309.458 0.363 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)N2CCC([N@H+](C)CCO)CC2)CC1 ZINC000331118018 416267480 /nfs/dbraw/zinc/26/74/80/416267480.db2.gz NCKARETTWQZKFR-UHFFFAOYSA-N 2 0 324.469 0.939 20 30 DCEDRP C[NH+]=C(NCCn1ccnc1C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261769850 416335765 /nfs/dbraw/zinc/33/57/65/416335765.db2.gz NWWNTBJMRNYLDC-SWLSCSKDSA-N 2 0 304.442 0.839 20 30 DCEDRP COC[C@@H](C)NC(=[NH2+])NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000264098716 416339084 /nfs/dbraw/zinc/33/90/84/416339084.db2.gz NJIJQUGNNXNECD-CZUORRHYSA-N 2 0 320.437 0.345 20 30 DCEDRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424147854 416618586 /nfs/dbraw/zinc/61/85/86/416618586.db2.gz SLWCEFTWBZZIKG-LSDHHAIUSA-N 2 0 310.442 0.967 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000576169209 417585769 /nfs/dbraw/zinc/58/57/69/417585769.db2.gz BIHHGLJJLIJFLW-RYUDHWBXSA-N 2 0 305.382 0.610 20 30 DCEDRP CC#CC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645294738 417726910 /nfs/dbraw/zinc/72/69/10/417726910.db2.gz JSAUKCTXICZNQD-LSDHHAIUSA-N 2 0 322.453 0.228 20 30 DCEDRP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](N3CCOCC3)CC2)C1=O ZINC000660476763 418262450 /nfs/dbraw/zinc/26/24/50/418262450.db2.gz FKSLHVWRQFGHNI-HOTGVXAUSA-N 2 0 307.438 0.960 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662448728 418410338 /nfs/dbraw/zinc/41/03/38/418410338.db2.gz QXOHQMZPTSDVNH-GFCCVEGCSA-N 2 0 303.410 0.867 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357090167 277867350 /nfs/dbraw/zinc/86/73/50/277867350.db2.gz ZUIQVONBQORROS-OCCSQVGLSA-N 2 0 308.426 0.708 20 30 DCEDRP CCN(CCC#N)C(=O)C[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000451993719 338750676 /nfs/dbraw/zinc/75/06/76/338750676.db2.gz VAAXNCZNQQMDCB-UHFFFAOYSA-N 2 0 323.485 0.754 20 30 DCEDRP C[NH+]=C(NCC(C)(C)[NH+](C)C)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261767425 526348149 /nfs/dbraw/zinc/34/81/49/526348149.db2.gz NQJRRBSICWAGAQ-AWEZNQCLSA-N 2 0 322.457 0.709 20 30 DCEDRP C[NH+]=C(NCc1nnc(C)n1C)NC1CC[NH+](CC2CC2)CC1 ZINC000262026494 526390827 /nfs/dbraw/zinc/39/08/27/526390827.db2.gz ZUMCZXQJRIOODA-UHFFFAOYSA-N 2 0 319.457 0.663 20 30 DCEDRP CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262307390 527382942 /nfs/dbraw/zinc/38/29/42/527382942.db2.gz OYHZVRMZOLGRPZ-GXTWGEPZSA-N 2 0 309.458 0.501 20 30 DCEDRP CCCNC(=[NH2+])NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000264127110 528160637 /nfs/dbraw/zinc/16/06/37/528160637.db2.gz WRTSAQNRIWSPKI-UHFFFAOYSA-N 3 0 304.442 0.908 20 30 DCEDRP CC[NH+]=C(NCc1c(C)noc1C)NC[C@@H]1C[N@H+](C)CCN1C ZINC000261747364 528828918 /nfs/dbraw/zinc/82/89/18/528828918.db2.gz BWOALSQQBKZGBK-CQSZACIVSA-N 2 0 322.457 0.592 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cnn(CCOC)c1 ZINC000283762080 529073617 /nfs/dbraw/zinc/07/36/17/529073617.db2.gz HWIZZPPATPNQRD-CQSZACIVSA-N 2 0 308.430 0.418 20 30 DCEDRP C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001672701821 1175145365 /nfs/dbraw/zinc/14/53/65/1175145365.db2.gz GTKHIHRMBZFSJD-JKSUJKDBSA-N 2 0 309.454 0.541 20 30 DCEDRP C#CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C(C)(C)C1 ZINC000977654341 660411016 /nfs/dbraw/zinc/41/10/16/660411016.db2.gz KSAUWMXTYBZNCN-INIZCTEOSA-N 2 0 301.434 0.791 20 30 DCEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001027611030 660525316 /nfs/dbraw/zinc/52/53/16/660525316.db2.gz PCLLOVIYBSJKLF-INIZCTEOSA-N 2 0 317.437 0.614 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]([C@@H](C)[NH2+]CC)C2)CC1 ZINC000979461949 660752899 /nfs/dbraw/zinc/75/28/99/660752899.db2.gz SYUMYYBDWJISPL-GDBMZVCRSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@H]([C@@H](C)[NH2+]CC)C2)CC1 ZINC000979461961 660752818 /nfs/dbraw/zinc/75/28/18/660752818.db2.gz SYUMYYBDWJISPL-ZBFHGGJFSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000981095253 661077756 /nfs/dbraw/zinc/07/77/56/661077756.db2.gz VJAYEBHQVSBHPO-LSDHHAIUSA-N 2 0 317.437 0.709 20 30 DCEDRP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000981646517 661189603 /nfs/dbraw/zinc/18/96/03/661189603.db2.gz MDGWEZZLCDZLNY-UPTPFMHGSA-N 2 0 319.449 0.960 20 30 DCEDRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=[NH2+])N2CCCCCC2)C1 ZINC000126043122 661269012 /nfs/dbraw/zinc/26/90/12/661269012.db2.gz DYPUPLGUNDXPRH-AWEZNQCLSA-N 2 0 309.458 0.765 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001023447346 657874947 /nfs/dbraw/zinc/87/49/47/657874947.db2.gz LMSLBWAANCUEGI-LSDHHAIUSA-N 2 0 300.406 0.907 20 30 DCEDRP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001023500424 657935618 /nfs/dbraw/zinc/93/56/18/657935618.db2.gz UFGVSOAWMZSXCI-UERKLNTKSA-N 2 0 319.449 0.864 20 30 DCEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000998895324 665545978 /nfs/dbraw/zinc/54/59/78/665545978.db2.gz YWDFMJPRMDQPSI-PREGVCBESA-N 2 0 319.449 0.842 20 30 DCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971969491 658107471 /nfs/dbraw/zinc/10/74/71/658107471.db2.gz NWLIPYCFQFYHNG-GWUWNPHMSA-N 2 0 303.406 0.016 20 30 DCEDRP C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000972374626 658635167 /nfs/dbraw/zinc/63/51/67/658635167.db2.gz QYBFUJPOYPCXCN-WMZOPIPTSA-N 2 0 319.449 0.796 20 30 DCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000971555647 658799220 /nfs/dbraw/zinc/79/92/20/658799220.db2.gz IBNURFHWYFFEMA-CQSZACIVSA-N 2 0 303.410 0.224 20 30 DCEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC(C(=O)OC)CC1 ZINC000073629166 665626714 /nfs/dbraw/zinc/62/67/14/665626714.db2.gz INERKKZAFGCSCU-ZDUSSCGKSA-N 2 0 322.453 0.931 20 30 DCEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031857258 665660909 /nfs/dbraw/zinc/66/09/09/665660909.db2.gz QZYVTASMMVCTDH-GNHJJJEISA-N 2 0 305.422 0.474 20 30 DCEDRP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC#C)CC3)C[C@H]12 ZINC001026425613 659336703 /nfs/dbraw/zinc/33/67/03/659336703.db2.gz GEVDHULNMRXFQL-FGTMMUONSA-N 2 0 313.445 0.791 20 30 DCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001025781821 659556503 /nfs/dbraw/zinc/55/65/03/659556503.db2.gz RRMRSXJJSSJIAC-SMLCLMEVSA-N 2 0 301.434 0.931 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]C[C@H](C)O)C2)CC1 ZINC000999870607 665704848 /nfs/dbraw/zinc/70/48/48/665704848.db2.gz NSKXUHXIWPYACP-JEYLPNPQSA-N 2 0 307.438 0.291 20 30 DCEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000985789035 662513545 /nfs/dbraw/zinc/51/35/45/662513545.db2.gz GQGJUJQJJVQXIV-OAHLLOKOSA-N 2 0 307.438 0.511 20 30 DCEDRP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N(C)Cc1cnn(C)c1 ZINC000088425124 662987982 /nfs/dbraw/zinc/98/79/82/662987982.db2.gz JYVOKAXARWLVGQ-UHFFFAOYSA-N 2 0 322.457 0.538 20 30 DCEDRP C=CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001000712429 665920145 /nfs/dbraw/zinc/92/01/45/665920145.db2.gz BBBWUACCYUNPDM-HOTGVXAUSA-N 2 0 305.422 0.784 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000900665828 663267969 /nfs/dbraw/zinc/26/79/69/663267969.db2.gz BXCGYBNVFJAFFH-QGZVFWFLSA-N 2 0 321.465 0.993 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]C[C@H](C)O)C2)CC1 ZINC001000993031 665976644 /nfs/dbraw/zinc/97/66/44/665976644.db2.gz PNEJQEZKPQNONY-GOEBONIOSA-N 2 0 307.438 0.293 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000913437464 664314399 /nfs/dbraw/zinc/31/43/99/664314399.db2.gz RCWVJCBASGERCU-HZPDHXFCSA-N 3 0 310.486 0.692 20 30 DCEDRP C#CCN(C(=O)NCC[N@@H+](C)CCOC)C1CC[NH+](C)CC1 ZINC000916331388 665066912 /nfs/dbraw/zinc/06/69/12/665066912.db2.gz MTVOCJUKLKYBMV-UHFFFAOYSA-N 2 0 310.442 0.304 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC#C)[C@H]2C)CC1 ZINC000994493642 665116406 /nfs/dbraw/zinc/11/64/06/665116406.db2.gz FBBMESHJLVZQCW-RDJZCZTQSA-N 2 0 301.434 0.934 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941665524 666040862 /nfs/dbraw/zinc/04/08/62/666040862.db2.gz HXBLHDNAGHUGGN-HNNXBMFYSA-N 2 0 306.454 0.343 20 30 DCEDRP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000942056436 666103889 /nfs/dbraw/zinc/10/38/89/666103889.db2.gz HCHFMNDTDPKBDO-HUUCEWRRSA-N 2 0 317.437 0.518 20 30 DCEDRP CCC[N@@H+](CC#CCOC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001691181407 1157607336 /nfs/dbraw/zinc/60/73/36/1157607336.db2.gz UOJLGVVIRIXNFL-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](C[C@H]3CCOC3)C2)CC1 ZINC001032207756 666453282 /nfs/dbraw/zinc/45/32/82/666453282.db2.gz ZJCQCGURHXGEQF-OAHLLOKOSA-N 2 0 319.449 0.416 20 30 DCEDRP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2CN(C)CCO2)CC1(C)C ZINC000995591709 666506042 /nfs/dbraw/zinc/50/60/42/666506042.db2.gz UFCCXUSFRJWRKV-OLZOCXBDSA-N 2 0 315.845 0.896 20 30 DCEDRP C#CC[NH2+][C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC1(C)C ZINC000996470818 666801952 /nfs/dbraw/zinc/80/19/52/666801952.db2.gz ITLWWMRRVNCHGM-HNNXBMFYSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+](CCO)C2)CC1 ZINC001034045014 666906188 /nfs/dbraw/zinc/90/61/88/666906188.db2.gz HHSRPUAILBBRHO-INIZCTEOSA-N 2 0 307.438 0.247 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](C[C@@H](C)O)C2)CC1 ZINC001034537991 667064224 /nfs/dbraw/zinc/06/42/24/667064224.db2.gz GWLBSTHZEOFZTP-NVXWUHKLSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCO)[C@@H](C)C2)CC1 ZINC001036300587 667434929 /nfs/dbraw/zinc/43/49/29/667434929.db2.gz BSSOPMXSWYXHRX-GOEBONIOSA-N 2 0 307.438 0.151 20 30 DCEDRP C[C@@H]1CCC[N@H+](CCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884188215 667493209 /nfs/dbraw/zinc/49/32/09/667493209.db2.gz BSLXHSTXBRTDRS-GJEMEMOUSA-N 2 0 304.438 0.974 20 30 DCEDRP CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000884213131 667500673 /nfs/dbraw/zinc/50/06/73/667500673.db2.gz UNRLMODPJKNJPC-SCOKMKKDSA-N 2 0 302.422 0.821 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cnc3c(c1)C[NH2+]CC3)C2 ZINC000884243921 667508363 /nfs/dbraw/zinc/50/83/63/667508363.db2.gz SIFVUKGJXUHNOI-UIORMTCPSA-N 2 0 311.389 0.805 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884249802 667509022 /nfs/dbraw/zinc/50/90/22/667509022.db2.gz RQRQTTRTCNVADU-ADEWGFFLSA-N 2 0 323.194 0.677 20 30 DCEDRP C[NH+]1CCC(n2cc(NC(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)cn2)CC1 ZINC000868189327 667540691 /nfs/dbraw/zinc/54/06/91/667540691.db2.gz AHAMICCKWCJVOX-SMDDNHRTSA-N 2 0 317.397 0.383 20 30 DCEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870941157 667776106 /nfs/dbraw/zinc/77/61/06/667776106.db2.gz RLKFLYXIHZBNDQ-QWRGUYRKSA-N 2 0 305.407 0.451 20 30 DCEDRP C[NH+](C)C[C@@H]1CN(C(=O)NCC(C)(C)C#N)C[C@H]1C[NH+](C)C ZINC000875477351 668327820 /nfs/dbraw/zinc/32/78/20/668327820.db2.gz XXQZQNSWQZIWLA-ZIAGYGMSSA-N 2 0 309.458 0.917 20 30 DCEDRP C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875642364 668355299 /nfs/dbraw/zinc/35/52/99/668355299.db2.gz OHVUQPZQGPWIPF-FPCVCCKLSA-N 2 0 324.469 0.711 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](NC(=O)C(=C)C[NH+](C)C)C1CC1 ZINC000764472339 668448804 /nfs/dbraw/zinc/44/88/04/668448804.db2.gz NOXMZENKLVGZMN-OAHLLOKOSA-N 2 0 322.453 0.233 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000876802447 668513827 /nfs/dbraw/zinc/51/38/27/668513827.db2.gz OTAZOIVIGRQMIQ-BEAPCOKYSA-N 2 0 318.808 0.871 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)CCN2CC[NH+](C(C)C)CC2)CC1 ZINC000928650134 668611473 /nfs/dbraw/zinc/61/14/73/668611473.db2.gz ZFSWZZXQUTWXMF-UHFFFAOYSA-N 2 0 320.481 0.616 20 30 DCEDRP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@H+]1C)CCO2 ZINC000949052091 670248270 /nfs/dbraw/zinc/24/82/70/670248270.db2.gz WXQWSASLPUNGEQ-INIZCTEOSA-N 2 0 319.449 0.797 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CCO)C2)CC1 ZINC001036903963 670270650 /nfs/dbraw/zinc/27/06/50/670270650.db2.gz KCDVZVQIDBJTFA-DLBZAZTESA-N 2 0 319.449 0.247 20 30 DCEDRP C[NH+]=C(NCCC[N@H+](C)CC(C)C)NCCN1CCOCC1 ZINC000849046465 670755524 /nfs/dbraw/zinc/75/55/24/670755524.db2.gz HBXXXMGBKSOYBH-UHFFFAOYSA-N 2 0 313.490 0.462 20 30 DCEDRP C#CC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000819304478 671109615 /nfs/dbraw/zinc/10/96/15/671109615.db2.gz GPXRPLZJIVMWIP-MOPGFXCFSA-N 2 0 315.461 0.819 20 30 DCEDRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852870265 671180624 /nfs/dbraw/zinc/18/06/24/671180624.db2.gz QWNIYVPQAGBWGZ-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP Cc1cc([C@H]([NH3+])CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cc(Cl)n1 ZINC000834484257 671763355 /nfs/dbraw/zinc/76/33/55/671763355.db2.gz GKBOBSUKXSPMQE-IJLUTSLNSA-N 2 0 307.785 0.661 20 30 DCEDRP COC[C@H](C)NC(=[NH2+])NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000303792177 685207133 /nfs/dbraw/zinc/20/71/33/685207133.db2.gz YFGSFIQFSDPBKQ-ZDUSSCGKSA-N 2 0 320.441 0.273 20 30 DCEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303893156 685208117 /nfs/dbraw/zinc/20/81/17/685208117.db2.gz RSEDJXXJNOIAOQ-HNNXBMFYSA-N 2 0 311.474 0.345 20 30 DCEDRP CC[NH+]1CCN(CCNC(=[NH2+])NCCc2ccccc2)CC1 ZINC000303897230 685208696 /nfs/dbraw/zinc/20/86/96/685208696.db2.gz QIDKNUAWKRWMIW-UHFFFAOYSA-N 2 0 303.454 0.771 20 30 DCEDRP C[C@@H]1CCCN(C(=[NH2+])NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000303979171 685209339 /nfs/dbraw/zinc/20/93/39/685209339.db2.gz MUEYEPMZAXIRLA-CABCVRRESA-N 2 0 323.485 0.976 20 30 DCEDRP CC(C)CCNC(=[NH2+])NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000303986779 685209495 /nfs/dbraw/zinc/20/94/95/685209495.db2.gz UWPSMKVZAAUMQP-AWEZNQCLSA-N 2 0 311.474 0.880 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOC1CCOCC1 ZINC000304784889 685212198 /nfs/dbraw/zinc/21/21/98/685212198.db2.gz HTHHEPDJJCQMKO-CQSZACIVSA-N 2 0 312.458 0.961 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958263102 687491147 /nfs/dbraw/zinc/49/11/47/687491147.db2.gz NQBPRDDICJGYBR-GOEBONIOSA-N 2 0 314.389 0.933 20 30 DCEDRP C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000958558513 687745381 /nfs/dbraw/zinc/74/53/81/687745381.db2.gz IHZXGALVKWOUFV-WBVHZDCISA-N 2 0 324.384 0.528 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)COC)C[C@H]32)CC1 ZINC000962781432 688978965 /nfs/dbraw/zinc/97/89/65/688978965.db2.gz TWZBPAUXPNTUHU-SIXLDLHFSA-N 2 0 319.449 0.413 20 30 DCEDRP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007991116 690783836 /nfs/dbraw/zinc/78/38/36/690783836.db2.gz RDKFUYNCBBHTBQ-KRIMKBQASA-N 2 0 305.422 0.616 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014455620 692024023 /nfs/dbraw/zinc/02/40/23/692024023.db2.gz AYUBRHKJPLOLNQ-AWEZNQCLSA-N 2 0 305.426 0.825 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)COC)C2)CC1 ZINC001016330904 692654468 /nfs/dbraw/zinc/65/44/68/692654468.db2.gz HRMIXQKKJMVJOH-GDBMZVCRSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001570652336 1162577052 /nfs/dbraw/zinc/57/70/52/1162577052.db2.gz CJXGLGULCLYOBN-HOTGVXAUSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CCC[N@H+](C)CCOCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001571340775 1162709482 /nfs/dbraw/zinc/70/94/82/1162709482.db2.gz CUUKGGUYENIEJA-INIZCTEOSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001571525685 1162796717 /nfs/dbraw/zinc/79/67/17/1162796717.db2.gz VRZUSMPDULCTDO-GOEBONIOSA-N 2 0 307.438 0.700 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001571583522 1162827909 /nfs/dbraw/zinc/82/79/09/1162827909.db2.gz CXTWBCCFNAEZRF-HNNXBMFYSA-N 2 0 314.389 0.689 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001571587836 1162833065 /nfs/dbraw/zinc/83/30/65/1162833065.db2.gz QVXMGSQDXOOSOO-HZPDHXFCSA-N 2 0 309.454 0.541 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[NH2+]C[C@H](C)CC)CC1 ZINC001571597013 1162840278 /nfs/dbraw/zinc/84/02/78/1162840278.db2.gz DINPMGCKIVCONE-NVXWUHKLSA-N 2 0 323.481 0.787 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CC#CCOC)CC1 ZINC001691000832 1157397212 /nfs/dbraw/zinc/39/72/12/1157397212.db2.gz URDSRTNTXMAMKT-UHFFFAOYSA-N 2 0 305.422 0.029 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2ocnc2C)CC1 ZINC001772517095 1157408691 /nfs/dbraw/zinc/40/86/91/1157408691.db2.gz QHRUECVOVNNKAI-CYBMUJFWSA-N 2 0 318.421 0.923 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001691103781 1157582123 /nfs/dbraw/zinc/58/21/23/1157582123.db2.gz PXQIILMOQYXCNH-IYBDPMFKSA-N 2 0 319.449 0.749 20 30 DCEDRP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC001752843271 1158319058 /nfs/dbraw/zinc/31/90/58/1158319058.db2.gz AFSQMDCLQQPYQC-LJIZCISZSA-N 2 0 307.438 0.718 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC#CCOC ZINC001733104933 1158713987 /nfs/dbraw/zinc/71/39/87/1158713987.db2.gz USXDIUWTOSUQGB-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001565878942 1159919002 /nfs/dbraw/zinc/91/90/02/1159919002.db2.gz UDICOHPEXKPLMB-KKUMJFAQSA-N 2 0 322.453 0.257 20 30 DCEDRP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001565991999 1159940220 /nfs/dbraw/zinc/94/02/20/1159940220.db2.gz AGPDQYOEUOQSMC-LLVKDONJSA-N 2 0 305.382 0.026 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001566902956 1160181498 /nfs/dbraw/zinc/18/14/98/1160181498.db2.gz DYOPEZGGZWPLMH-CABCVRRESA-N 2 0 324.469 0.457 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC#CCOC)C1 ZINC001567151930 1160257922 /nfs/dbraw/zinc/25/79/22/1160257922.db2.gz VPSIQVHDEZEOSY-INIZCTEOSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001567369577 1160332206 /nfs/dbraw/zinc/33/22/06/1160332206.db2.gz AAOXURHALQKVGP-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]C[C@@H]2CC[C@H](C)O2)CC1 ZINC001567611544 1160441100 /nfs/dbraw/zinc/44/11/00/1160441100.db2.gz LNYYCEHVUZWYBE-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#CCOC)[C@@H](C)C1 ZINC001568369730 1160637386 /nfs/dbraw/zinc/63/73/86/1160637386.db2.gz VLIUOBKVVACTBI-JKSUJKDBSA-N 2 0 309.454 0.805 20 30 DCEDRP C[NH+](C)CCCN(CCC#N)C(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001578415611 1165005545 /nfs/dbraw/zinc/00/55/45/1165005545.db2.gz ATNGPSKLNNEBBJ-INIZCTEOSA-N 2 0 321.425 0.579 20 30 DCEDRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001646149806 1172274563 /nfs/dbraw/zinc/27/45/63/1172274563.db2.gz CEOHBKHUMOTOGV-RJZXRHAOSA-N 2 0 304.438 0.924 20 30 DCEDRP CC(C)(C#N)C[C@H](O)C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC001646522415 1172413428 /nfs/dbraw/zinc/41/34/28/1172413428.db2.gz OWSYJPFWUCNASF-HNNXBMFYSA-N 2 0 324.469 0.869 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCO1 ZINC001673306742 1174018863 /nfs/dbraw/zinc/01/88/63/1174018863.db2.gz ZPKDLKZGQHTAPA-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH2+][C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001661192369 1174105799 /nfs/dbraw/zinc/10/57/99/1174105799.db2.gz BBRBPDLXRMLILB-GOEBONIOSA-N 2 0 307.438 0.462 20 30 DCEDRP COCC#CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001664036130 1174387170 /nfs/dbraw/zinc/38/71/70/1174387170.db2.gz CQZRBCCPHNAANQ-MRXNPFEDSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001668829010 1174846078 /nfs/dbraw/zinc/84/60/78/1174846078.db2.gz VNSOHOAOHJZJJV-KZSQQDEKSA-N 2 0 305.422 0.240 20 30 DCEDRP C=CCCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001671998095 1175058006 /nfs/dbraw/zinc/05/80/06/1175058006.db2.gz BWMFHTPUHHWNSS-INMHGKMJSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)c2cnn(CC[NH+](C)C)c2)CCC1 ZINC001673218585 1175178923 /nfs/dbraw/zinc/17/89/23/1175178923.db2.gz NISFTQNYGCJRRL-UHFFFAOYSA-N 2 0 303.410 0.320 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CCO1 ZINC001673341904 1175193808 /nfs/dbraw/zinc/19/38/08/1175193808.db2.gz HXIBHKDFZDERQK-DLBZAZTESA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001673402807 1175199777 /nfs/dbraw/zinc/19/97/77/1175199777.db2.gz XOFADORCBDBFFH-OAHLLOKOSA-N 2 0 324.469 0.601 20 30 DCEDRP COCC#CC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001674573970 1175284616 /nfs/dbraw/zinc/28/46/16/1175284616.db2.gz QLXDIYYHAYDYSG-SOEBMCCKSA-N 2 0 321.465 0.851 20 30 DCEDRP C#CC[NH2+]CCCOCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001676183099 1175426950 /nfs/dbraw/zinc/42/69/50/1175426950.db2.gz GJEXTBSKQZAACN-CVEARBPZSA-N 2 0 307.438 0.749 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC001676651085 1175473530 /nfs/dbraw/zinc/47/35/30/1175473530.db2.gz SHUVLDYPQZZFIF-GDBMZVCRSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001676680537 1175475734 /nfs/dbraw/zinc/47/57/34/1175475734.db2.gz NBOOROLEFCDTHS-ZBFHGGJFSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CN(CC)CCO1 ZINC001687783874 1176289628 /nfs/dbraw/zinc/28/96/28/1176289628.db2.gz NRBAXNBJBZIDIT-PMPSAXMXSA-N 2 0 305.422 0.406 20 30 DCEDRP C#CCC[N@@H+](C)CCOCCN(C)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001689252511 1176768427 /nfs/dbraw/zinc/76/84/27/1176768427.db2.gz XSWIPVWOTXMYRI-SFHVURJKSA-N 2 0 321.465 0.902 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001691951538 1177391549 /nfs/dbraw/zinc/39/15/49/1177391549.db2.gz NGALLKUGLXJROS-LSDHHAIUSA-N 2 0 322.453 0.259 20 30 DCEDRP C#CCC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001692045811 1177409519 /nfs/dbraw/zinc/40/95/19/1177409519.db2.gz AUYRIDFCKIFCKE-MRXNPFEDSA-N 2 0 309.454 0.635 20 30 DCEDRP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001692135891 1177424608 /nfs/dbraw/zinc/42/46/08/1177424608.db2.gz GJJUQTRSJZFRFJ-GFCCVEGCSA-N 2 0 319.409 0.416 20 30 DCEDRP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC#CCOC)CC[C@@H]2C1)[NH+](C)C ZINC001692266869 1177470083 /nfs/dbraw/zinc/47/00/83/1177470083.db2.gz BJSAEMIRXXKNPF-IXDOHACOSA-N 2 0 321.465 0.757 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001692330310 1177485936 /nfs/dbraw/zinc/48/59/36/1177485936.db2.gz YGQSZBVPZBFTKQ-OAHLLOKOSA-N 2 0 322.453 0.048 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1(NC(=O)Cc2c[nH]cn2)CCCC1 ZINC001698633606 1177593652 /nfs/dbraw/zinc/59/36/52/1177593652.db2.gz IUIBHQDBRRCOEA-UHFFFAOYSA-N 2 0 319.409 0.273 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001698844397 1177690776 /nfs/dbraw/zinc/69/07/76/1177690776.db2.gz LTPUCCYPZOVKLI-ZDUSSCGKSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001699954804 1178395896 /nfs/dbraw/zinc/39/58/96/1178395896.db2.gz XWOAOXXAWNFIPK-GJZGRUSLSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCOCC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001699971711 1178403136 /nfs/dbraw/zinc/40/31/36/1178403136.db2.gz HVDBDNLXBHGAJK-CVEARBPZSA-N 2 0 321.465 0.969 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001700203872 1178529180 /nfs/dbraw/zinc/52/91/80/1178529180.db2.gz VDBMLSODSLRKIR-CABCVRRESA-N 2 0 324.469 0.600 20 30 DCEDRP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001700405794 1178608943 /nfs/dbraw/zinc/60/89/43/1178608943.db2.gz UFIBJLYAXSQNEQ-HUUCEWRRSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CCOC)C2)CC1 ZINC001700646224 1178689431 /nfs/dbraw/zinc/68/94/31/1178689431.db2.gz XPPJWYUFAOWVBB-KOMQPUFPSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CCC[N@@H+](C)CCOCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001707225433 1180442420 /nfs/dbraw/zinc/44/24/20/1180442420.db2.gz BXRYDCMYOILAMI-MRXNPFEDSA-N 2 0 309.454 0.901 20 30 DCEDRP CC[N@@H+](CC#CCOC)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001713025289 1180633139 /nfs/dbraw/zinc/63/31/39/1180633139.db2.gz ZDQMTVOFEZXDNY-MRXNPFEDSA-N 2 0 309.454 0.806 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001713302141 1180756415 /nfs/dbraw/zinc/75/64/15/1180756415.db2.gz UOPMGKVLRDBOKJ-CABCVRRESA-N 2 0 324.469 0.600 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001713346327 1180779295 /nfs/dbraw/zinc/77/92/95/1180779295.db2.gz SUJKQKBQVOHOBS-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001713542211 1180913916 /nfs/dbraw/zinc/91/39/16/1180913916.db2.gz SAFFDSXDGXTQCP-MRXNPFEDSA-N 2 0 309.454 0.806 20 30 DCEDRP COCC#CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001713564790 1180924877 /nfs/dbraw/zinc/92/48/77/1180924877.db2.gz LAUIJOCNTDKKMP-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP C=C(Cl)C[NH2+]CCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001713649234 1180993268 /nfs/dbraw/zinc/99/32/68/1180993268.db2.gz VLSSYXVYEMCCKZ-UHFFFAOYSA-N 2 0 303.834 0.898 20 30 DCEDRP C#CC[NH2+][C@H](C)C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001713682945 1181014708 /nfs/dbraw/zinc/01/47/08/1181014708.db2.gz MGJSTVBOUPJICC-OAHLLOKOSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001713745121 1181040534 /nfs/dbraw/zinc/04/05/34/1181040534.db2.gz ULOFZMGEMAXQME-MRXNPFEDSA-N 2 0 306.454 0.037 20 30 DCEDRP CC#CCN1CC[NH+](CCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001713801548 1181076000 /nfs/dbraw/zinc/07/60/00/1181076000.db2.gz PCJOOKKHNWXXBV-QGZVFWFLSA-N 2 0 320.481 0.475 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001714019701 1181205943 /nfs/dbraw/zinc/20/59/43/1181205943.db2.gz AYASUESXMLRNEF-TUVASFSCSA-N 2 0 322.453 0.398 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001714304995 1181314613 /nfs/dbraw/zinc/31/46/13/1181314613.db2.gz JWYHVHAJMTVACU-GJZGRUSLSA-N 2 0 324.469 0.457 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001714610989 1181440029 /nfs/dbraw/zinc/44/00/29/1181440029.db2.gz VPHVZARVOOEKQA-HOTGVXAUSA-N 2 0 309.454 0.946 20 30 DCEDRP C=CCOCC[NH+]1CC[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001714640924 1181457799 /nfs/dbraw/zinc/45/77/99/1181457799.db2.gz DJQUFLDIEMJDLF-CVEARBPZSA-N 2 0 309.454 0.969 20 30 DCEDRP CC#CC[NH2+]CCCN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001716542149 1182432919 /nfs/dbraw/zinc/43/29/19/1182432919.db2.gz VBPOCVHUKNQHIS-UHFFFAOYSA-N 2 0 305.426 0.520 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001716696284 1182497846 /nfs/dbraw/zinc/49/78/46/1182497846.db2.gz CQFJSHAQHGZTKV-JKSUJKDBSA-N 2 0 319.449 0.892 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001716925786 1182580524 /nfs/dbraw/zinc/58/05/24/1182580524.db2.gz HUNNKCKBBDAODE-QGZVFWFLSA-N 2 0 307.438 0.295 20 30 DCEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001716930712 1182586590 /nfs/dbraw/zinc/58/65/90/1182586590.db2.gz UZMVWGJHQKUIAR-QAPCUYQASA-N 2 0 321.465 0.990 20 30 DCEDRP CC#CC[NH2+]C1CCN(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001717018151 1182624741 /nfs/dbraw/zinc/62/47/41/1182624741.db2.gz AHYXBSQFCLPLIM-UHFFFAOYSA-N 2 0 308.470 0.520 20 30 DCEDRP C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCc2cnc(C)n2C1 ZINC001717059808 1182658149 /nfs/dbraw/zinc/65/81/49/1182658149.db2.gz ZQPVGSGXFZNPST-HNNXBMFYSA-N 2 0 318.421 0.188 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001717255333 1182751587 /nfs/dbraw/zinc/75/15/87/1182751587.db2.gz XALQXFNAXGNIKK-SFHVURJKSA-N 2 0 319.449 0.439 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001717255332 1182751893 /nfs/dbraw/zinc/75/18/93/1182751893.db2.gz XALQXFNAXGNIKK-GOSISDBHSA-N 2 0 319.449 0.439 20 30 DCEDRP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001717259752 1182754230 /nfs/dbraw/zinc/75/42/30/1182754230.db2.gz IXTLUGPJSUIEIL-KRWDZBQOSA-N 2 0 307.438 0.601 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC001723878304 1184357789 /nfs/dbraw/zinc/35/77/89/1184357789.db2.gz ZJCSUBMSVCHJBT-GJZGRUSLSA-N 2 0 324.469 0.598 20 30 DCEDRP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001724212762 1184402001 /nfs/dbraw/zinc/40/20/01/1184402001.db2.gz BVSVQALGJKYUQV-NUJGCVRESA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001724740371 1184540968 /nfs/dbraw/zinc/54/09/68/1184540968.db2.gz VSJXUZWGAFZLAB-OAHLLOKOSA-N 2 0 322.453 0.213 20 30 DCEDRP CC#CC[NH+]1CCC(CO)(NC(=O)C[C@@H](C)n2ccnc2)CC1 ZINC001725023893 1184659918 /nfs/dbraw/zinc/65/99/18/1184659918.db2.gz VPZQDBVXYXSNDN-OAHLLOKOSA-N 2 0 318.421 0.801 20 30 DCEDRP COCC#CC[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001725343589 1184778068 /nfs/dbraw/zinc/77/80/68/1184778068.db2.gz LDXGFLVXDWOQDE-UHFFFAOYSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001725347677 1184780807 /nfs/dbraw/zinc/78/08/07/1184780807.db2.gz FMWPQAIYGLFSMP-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]C[C@@H](C)OC)CC1 ZINC001725523078 1184855919 /nfs/dbraw/zinc/85/59/19/1184855919.db2.gz LIJJKSDWLOUEAU-HUUCEWRRSA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC001725675776 1184936400 /nfs/dbraw/zinc/93/64/00/1184936400.db2.gz SRSAYCKRLAVYFG-KGLIPLIRSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC=C)CC1 ZINC001725724133 1184975843 /nfs/dbraw/zinc/97/58/43/1184975843.db2.gz NIJIINRIKDYXOS-INIZCTEOSA-N 2 0 307.438 0.269 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001731367888 1185299059 /nfs/dbraw/zinc/29/90/59/1185299059.db2.gz NQANOPWXDLHBCU-MRXNPFEDSA-N 2 0 308.470 0.638 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](CC)OC)C2)CC1 ZINC001731460405 1185342697 /nfs/dbraw/zinc/34/26/97/1185342697.db2.gz BWFXAKVUJKAFMK-ULQDDVLXSA-N 2 0 321.465 0.993 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001731517999 1185371854 /nfs/dbraw/zinc/37/18/54/1185371854.db2.gz GVRLEHXEYDLSIQ-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001731673976 1185439800 /nfs/dbraw/zinc/43/98/00/1185439800.db2.gz IHAJWWOECRGCGA-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP CC#CC[N@H+](CC)CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001731805987 1185495854 /nfs/dbraw/zinc/49/58/54/1185495854.db2.gz RANUOTYQMGFYIC-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CC[C@@H]2CCCO2)CC1 ZINC001731988324 1185627361 /nfs/dbraw/zinc/62/73/61/1185627361.db2.gz UVVDCUVZJNYUFL-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)CN1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001732186467 1185728011 /nfs/dbraw/zinc/72/80/11/1185728011.db2.gz MIRKESKCJHXCSG-CQSZACIVSA-N 2 0 310.442 0.163 20 30 DCEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001733189431 1186175139 /nfs/dbraw/zinc/17/51/39/1186175139.db2.gz DIDXNDMEPQXTSJ-ZBFHGGJFSA-N 2 0 307.438 0.462 20 30 DCEDRP COCC#CC[NH+]1CCC(C)(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001733453610 1186274482 /nfs/dbraw/zinc/27/44/82/1186274482.db2.gz NOSYZIKKMWJUKQ-UHFFFAOYSA-N 2 0 321.465 0.950 20 30 DCEDRP CC#CC[NH2+]CC[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001733675189 1186396866 /nfs/dbraw/zinc/39/68/66/1186396866.db2.gz ZCOZYNZVSJEDAI-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCCC[NH2+][C@@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001733822270 1186462347 /nfs/dbraw/zinc/46/23/47/1186462347.db2.gz LIZZYKCQESQFRX-SFHVURJKSA-N 2 0 321.465 0.992 20 30 DCEDRP C=C(C)CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001733888164 1186487968 /nfs/dbraw/zinc/48/79/68/1186487968.db2.gz CTRBYZLUKGRUGO-OAHLLOKOSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001734012089 1186521374 /nfs/dbraw/zinc/52/13/74/1186521374.db2.gz CIOXACQQVALODY-KLAILNCOSA-N 2 0 321.465 0.947 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC#CCOC ZINC001734039970 1186527143 /nfs/dbraw/zinc/52/71/43/1186527143.db2.gz VDMXHFRHLPNFPZ-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001734307494 1186610285 /nfs/dbraw/zinc/61/02/85/1186610285.db2.gz BBSUKJIXEXXNEV-NVXWUHKLSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]C[C@@H](C)OC)C2)CC1 ZINC001734603678 1186699889 /nfs/dbraw/zinc/69/98/89/1186699889.db2.gz BEBHESHCMKFWAH-ODIFPOPNSA-N 2 0 321.465 0.946 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C)C1=O ZINC001752921485 1188462159 /nfs/dbraw/zinc/46/21/59/1188462159.db2.gz SKYWHRNETBIVAB-UONOGXRCSA-N 2 0 310.442 0.208 20 30 DCEDRP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001753354668 1188572287 /nfs/dbraw/zinc/57/22/87/1188572287.db2.gz IQLSCFWTKXFHDL-AWEZNQCLSA-N 2 0 310.442 0.021 20 30 DCEDRP CC#CC[NH2+]CC[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001754014224 1188711197 /nfs/dbraw/zinc/71/11/97/1188711197.db2.gz BYZKLAKGFLXUFN-CQSZACIVSA-N 2 0 305.426 0.566 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]C[C@@H](CC)OC)CC1 ZINC001754296402 1188812036 /nfs/dbraw/zinc/81/20/36/1188812036.db2.gz KTIXGLUYBDFSQM-GOEBONIOSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001754609664 1188889154 /nfs/dbraw/zinc/88/91/54/1188889154.db2.gz JTPXZVHBLBRJFA-IRXDYDNUSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@](C)(C[NH2+]C[C@@H](C)O)C2)CC1 ZINC001754712303 1188910450 /nfs/dbraw/zinc/91/04/50/1188910450.db2.gz HPOIYLCKVQGLON-QAPCUYQASA-N 2 0 321.465 0.541 20 30 DCEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001754761883 1188927510 /nfs/dbraw/zinc/92/75/10/1188927510.db2.gz FFKYCZVULBRISZ-KRWDZBQOSA-N 2 0 307.438 0.439 20 30 DCEDRP C#CCC[NH2+]C1CCN(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001754849277 1188947866 /nfs/dbraw/zinc/94/78/66/1188947866.db2.gz NLQPHDQUOLUBQY-UHFFFAOYSA-N 2 0 320.481 0.664 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001755160075 1189040462 /nfs/dbraw/zinc/04/04/62/1189040462.db2.gz FGAOVFPPRYYYBF-HZPDHXFCSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CC[NH+]1CCC(CO)(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001755181446 1189048799 /nfs/dbraw/zinc/04/87/99/1189048799.db2.gz PSYFNAVWYWPZTN-UHFFFAOYSA-N 2 0 309.454 0.847 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC#CCOC ZINC001755328048 1189081420 /nfs/dbraw/zinc/08/14/20/1189081420.db2.gz NQAHMWIRQLJOLA-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001755679019 1189182694 /nfs/dbraw/zinc/18/26/94/1189182694.db2.gz RGFYDRUKTDCGTO-CABCVRRESA-N 2 0 317.437 0.661 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001755781091 1189210292 /nfs/dbraw/zinc/21/02/92/1189210292.db2.gz QYIHDYIZJUQKHC-CQSZACIVSA-N 2 0 323.462 0.856 20 30 DCEDRP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089895101 751934173 /nfs/dbraw/zinc/93/41/73/751934173.db2.gz YYXCWMUWFXSEJC-HZMVEIRTSA-N 2 0 313.445 0.884 20 30 DCEDRP COCC#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001167237103 747034246 /nfs/dbraw/zinc/03/42/46/747034246.db2.gz UNWSYTMSFKKVRU-JKSUJKDBSA-N 2 0 321.465 0.710 20 30 DCEDRP C=CCC[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083247826 747422233 /nfs/dbraw/zinc/42/22/33/747422233.db2.gz GMJHAMBZRJWKQI-HRCADAONSA-N 2 0 307.438 0.816 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C ZINC001105101847 748031044 /nfs/dbraw/zinc/03/10/44/748031044.db2.gz JXIUYJJJHUPXLL-HZPDHXFCSA-N 2 0 318.421 0.607 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168022683 749046544 /nfs/dbraw/zinc/04/65/44/749046544.db2.gz PYYRACYMWFNAAY-HUUCEWRRSA-N 2 0 322.453 0.401 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)O)[C@@H]2CC)CC1 ZINC001087840006 749078067 /nfs/dbraw/zinc/07/80/67/749078067.db2.gz CVCBEYFFSJZLFT-HYVNUMGLSA-N 2 0 321.465 0.682 20 30 DCEDRP C=CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001098722303 749275214 /nfs/dbraw/zinc/27/52/14/749275214.db2.gz MVGZQLJIOAKKAR-HNNXBMFYSA-N 2 0 320.441 0.669 20 30 DCEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083524809 750096947 /nfs/dbraw/zinc/09/69/47/750096947.db2.gz KZSGWHDLIGMWMF-OAGGEKHMSA-N 2 0 309.454 0.987 20 30 DCEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083559989 750175278 /nfs/dbraw/zinc/17/52/78/750175278.db2.gz LQKHXJBWLJVHRH-CABCVRRESA-N 2 0 307.438 0.600 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCOC)[C@@H]2C)CC1 ZINC001089059491 750781630 /nfs/dbraw/zinc/78/16/30/750781630.db2.gz OKWDSQALXAHSKO-ZBFHGGJFSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC001044607719 752806646 /nfs/dbraw/zinc/80/66/46/752806646.db2.gz DZZZKVYHBBJRAZ-GJZGRUSLSA-N 2 0 317.437 0.661 20 30 DCEDRP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001045444410 753196748 /nfs/dbraw/zinc/19/67/48/753196748.db2.gz MUXPEXFWYNGVMV-HOTGVXAUSA-N 2 0 319.449 0.844 20 30 DCEDRP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001046035821 753439333 /nfs/dbraw/zinc/43/93/33/753439333.db2.gz ULAWPKOAYDNCQR-INIZCTEOSA-N 2 0 318.465 0.322 20 30 DCEDRP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001047577469 754405613 /nfs/dbraw/zinc/40/56/13/754405613.db2.gz NTNRXXCPDIWAEK-HOTGVXAUSA-N 2 0 309.454 0.798 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001090261120 754825085 /nfs/dbraw/zinc/82/50/85/754825085.db2.gz MPBUKKMRKBBYTK-CABCVRRESA-N 2 0 309.454 0.988 20 30 DCEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC001090353326 755655305 /nfs/dbraw/zinc/65/53/05/755655305.db2.gz BDMHNJSAGSAIMT-HZPDHXFCSA-N 2 0 321.465 0.990 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](C[C@@H](C)O)CC2)CC1 ZINC001052957033 755884973 /nfs/dbraw/zinc/88/49/73/755884973.db2.gz CJBFVOUOIGDHRA-WBVHZDCISA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001054797493 756642887 /nfs/dbraw/zinc/64/28/87/756642887.db2.gz HHWGUBQNQKPFSG-HUUCEWRRSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC001054893585 756667831 /nfs/dbraw/zinc/66/78/31/756667831.db2.gz JHGUISXAZGQYEY-CZUORRHYSA-N 2 0 309.373 0.951 20 30 DCEDRP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C1 ZINC001083085678 757485516 /nfs/dbraw/zinc/48/55/16/757485516.db2.gz FPELUPOKFZYMPH-LVQVYYBASA-N 2 0 307.438 0.814 20 30 DCEDRP C=CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C1 ZINC001083106404 757498685 /nfs/dbraw/zinc/49/86/85/757498685.db2.gz AIAKLUHYGOUACD-JKSUJKDBSA-N 2 0 307.438 0.958 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)C[C@@H]21 ZINC001084911439 758120614 /nfs/dbraw/zinc/12/06/14/758120614.db2.gz CIMSWDRLDCMFRJ-OWCLPIDISA-N 2 0 305.422 0.263 20 30 DCEDRP N#CCCN(Cc1cccnc1)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001157730917 762636085 /nfs/dbraw/zinc/63/60/85/762636085.db2.gz ULPHAXOPHUOXQP-ZDUSSCGKSA-N 2 0 307.423 0.343 20 30 DCEDRP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001098368719 762655779 /nfs/dbraw/zinc/65/57/79/762655779.db2.gz XVSLWHIVIHFZRK-QGZVFWFLSA-N 2 0 321.465 0.800 20 30 DCEDRP C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001098391309 759208785 /nfs/dbraw/zinc/20/87/85/759208785.db2.gz AHHZHYAPANHAKI-QGZVFWFLSA-N 2 0 321.465 0.635 20 30 DCEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001086091702 759704716 /nfs/dbraw/zinc/70/47/16/759704716.db2.gz KCDLGSACGPBMPV-QXSJWSMHSA-N 2 0 307.438 0.910 20 30 DCEDRP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001098408407 759731849 /nfs/dbraw/zinc/73/18/49/759731849.db2.gz TXYKYXSBJRTDSC-MRXNPFEDSA-N 2 0 307.438 0.389 20 30 DCEDRP N#Cc1ccc(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)cc1F ZINC001147970310 767889525 /nfs/dbraw/zinc/88/95/25/767889525.db2.gz GYNJNMALPPWOCB-UHFFFAOYSA-N 2 0 316.380 0.999 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129364393 761049991 /nfs/dbraw/zinc/04/99/91/761049991.db2.gz VPINEWQGKUUFOX-UHFFFAOYSA-N 2 0 322.453 0.377 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001070209211 761136631 /nfs/dbraw/zinc/13/66/31/761136631.db2.gz ROCYTKJLGJKIRN-ILXRZTDVSA-N 2 0 318.425 0.146 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C[N@@H+](C)CCC ZINC001148655192 768024310 /nfs/dbraw/zinc/02/43/10/768024310.db2.gz JPYQJMGGNMZMCY-UHFFFAOYSA-N 2 0 310.442 0.235 20 30 DCEDRP C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC001071241367 761732665 /nfs/dbraw/zinc/73/26/65/761732665.db2.gz SVWKGUMJCNKWHZ-SJLPKXTDSA-N 2 0 319.449 0.797 20 30 DCEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129407247 762929738 /nfs/dbraw/zinc/92/97/38/762929738.db2.gz KCHMQIUGWLNRAL-CABCVRRESA-N 2 0 320.441 0.538 20 30 DCEDRP C=CCCC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099874180 763092636 /nfs/dbraw/zinc/09/26/36/763092636.db2.gz HFAGOQRYVDDPMW-CABCVRRESA-N 2 0 309.454 0.988 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001086997249 768113212 /nfs/dbraw/zinc/11/32/12/768113212.db2.gz UEZOUVAQNCPIBI-XHSDSOJGSA-N 2 0 319.453 0.830 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001087009421 768117423 /nfs/dbraw/zinc/11/74/23/768117423.db2.gz FSHFMCOWZRMOPE-JKSUJKDBSA-N 2 0 315.421 0.033 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100319524 763486401 /nfs/dbraw/zinc/48/64/01/763486401.db2.gz QBYLCQYUNJRJKI-OFLPRAFFSA-N 2 0 321.465 0.993 20 30 DCEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001100523038 763632644 /nfs/dbraw/zinc/63/26/44/763632644.db2.gz SHOCUAFLCCEGFH-QFQXCOSMSA-N 2 0 317.433 0.357 20 30 DCEDRP C=C(C)CN1CCNC(=O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131381444 763781772 /nfs/dbraw/zinc/78/17/72/763781772.db2.gz OLXNKXHEPOOAOR-UHFFFAOYSA-N 2 0 310.442 0.165 20 30 DCEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519263 763842676 /nfs/dbraw/zinc/84/26/76/763842676.db2.gz BVECTRALDZDOCU-GJEMEMOUSA-N 2 0 307.438 0.910 20 30 DCEDRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+]CC#CCOC)C1 ZINC001100898630 763847391 /nfs/dbraw/zinc/84/73/91/763847391.db2.gz ROZHGRWPPPRPFY-UHFFFAOYSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CCCO)C2)CC1 ZINC001101025025 763924931 /nfs/dbraw/zinc/92/49/31/763924931.db2.gz RSVHHRVBTRLJRS-UHFFFAOYSA-N 2 0 307.438 0.198 20 30 DCEDRP C#CC[NH+]1CC[C@]2(C1)CN(C(=O)CC[N@@H+](C)CC)C[C@H](C)O2 ZINC001131694118 763955179 /nfs/dbraw/zinc/95/51/79/763955179.db2.gz UOKFGHOMHZOQBW-RDJZCZTQSA-N 2 0 307.438 0.653 20 30 DCEDRP COCC#CC[NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001131815827 764053839 /nfs/dbraw/zinc/05/38/39/764053839.db2.gz VLFSRANOYZYEHV-UHFFFAOYSA-N 2 0 309.454 0.997 20 30 DCEDRP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CC#CCOC)C[C@@]2(C)C1)[NH+](C)C ZINC001101365804 764074131 /nfs/dbraw/zinc/07/41/31/764074131.db2.gz KNEDYEHJFZOXQJ-RYRKJORJSA-N 2 0 321.465 0.757 20 30 DCEDRP C#CCC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001098479192 764492557 /nfs/dbraw/zinc/49/25/57/764492557.db2.gz WRMYISIEEAGHKM-RDJZCZTQSA-N 2 0 321.465 0.493 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C ZINC001133091289 764821523 /nfs/dbraw/zinc/82/15/23/764821523.db2.gz QBTJPMNXSFGPQI-HZPDHXFCSA-N 2 0 309.454 0.662 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H](CC)[NH+](CC)CC)C1=O ZINC001133690758 765095384 /nfs/dbraw/zinc/09/53/84/765095384.db2.gz VPMVZHQPANYAHD-HUUCEWRRSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133833719 765163732 /nfs/dbraw/zinc/16/37/32/765163732.db2.gz DKLGARSSKUDBPF-OAHLLOKOSA-N 2 0 322.453 0.377 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845979 765179562 /nfs/dbraw/zinc/17/95/62/765179562.db2.gz QZLYXZPFXVXMNM-OAHLLOKOSA-N 2 0 324.469 0.459 20 30 DCEDRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001133865697 765191125 /nfs/dbraw/zinc/19/11/25/765191125.db2.gz FDKPBBNLFPDNKI-XJKSGUPXSA-N 2 0 300.406 0.962 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CCC ZINC001115151746 765609000 /nfs/dbraw/zinc/60/90/00/765609000.db2.gz LCFHACRGNKUSOA-TTZDDIAXSA-N 2 0 322.453 0.065 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134759335 765658462 /nfs/dbraw/zinc/65/84/62/765658462.db2.gz MHUXRXRAJCKUIF-CABCVRRESA-N 2 0 322.453 0.095 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298722 765872954 /nfs/dbraw/zinc/87/29/54/765872954.db2.gz OOTRVZVJUKUCCP-LSDHHAIUSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC001116973155 765940558 /nfs/dbraw/zinc/94/05/58/765940558.db2.gz ZIIUAFXXGVHHAV-AWEZNQCLSA-N 2 0 322.453 0.163 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135966259 766189167 /nfs/dbraw/zinc/18/91/67/766189167.db2.gz LRXSMTLCLFKQOA-LSDHHAIUSA-N 2 0 324.469 0.341 20 30 DCEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cnc2C)[C@@H](O)C1 ZINC001090765845 766568387 /nfs/dbraw/zinc/56/83/87/766568387.db2.gz YPSYAKCGTFTVSX-HIFRSBDPSA-N 2 0 306.410 0.778 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]C[C@H](C)O)C2)CC1 ZINC001091377156 767238083 /nfs/dbraw/zinc/23/80/83/767238083.db2.gz BTIGVMSVTOQYQP-HLIUYOAVSA-N 2 0 307.438 0.197 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146377384 767437036 /nfs/dbraw/zinc/43/70/36/767437036.db2.gz ZYLWGUWPRAALIU-AWEZNQCLSA-N 2 0 324.469 0.503 20 30 DCEDRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC#CCOC ZINC001147359579 767724372 /nfs/dbraw/zinc/72/43/72/767724372.db2.gz SSSWSFZHWFQHLM-INIZCTEOSA-N 2 0 309.454 0.997 20 30 DCEDRP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150192307 769033378 /nfs/dbraw/zinc/03/33/78/769033378.db2.gz CVSBZCXABCABEU-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001151408479 769331985 /nfs/dbraw/zinc/33/19/85/769331985.db2.gz KRJBSBHHLMOLCG-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(CCOC)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001151412520 769334016 /nfs/dbraw/zinc/33/40/16/769334016.db2.gz HGTRXFIXZMYBQF-UHFFFAOYSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001171873630 769384893 /nfs/dbraw/zinc/38/48/93/769384893.db2.gz SHAYZRIOJFINPT-CTMQZQKCSA-N 2 0 319.449 0.747 20 30 DCEDRP COCC#CC[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203337837 769411367 /nfs/dbraw/zinc/41/13/67/769411367.db2.gz WJYBEFIMQGIXHS-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCOc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001235868958 769951861 /nfs/dbraw/zinc/95/18/61/769951861.db2.gz HKODSJVDSLTVKM-UHFFFAOYSA-N 2 0 318.465 0.836 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179439796 771005871 /nfs/dbraw/zinc/00/58/71/771005871.db2.gz YXFOTXWYIPAMHV-ILXRZTDVSA-N 2 0 324.469 0.598 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001179968386 771048563 /nfs/dbraw/zinc/04/85/63/771048563.db2.gz SUFAOIPTHSTZNM-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP N#Cc1ccccc1N1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001157474059 771616295 /nfs/dbraw/zinc/61/62/95/771616295.db2.gz KVVOAPFXMQAHFX-CQSZACIVSA-N 2 0 301.394 0.273 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H](CC)OC)C1 ZINC001183353930 771637651 /nfs/dbraw/zinc/63/76/51/771637651.db2.gz HKQVTLKUONDLEZ-OAGGEKHMSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001183418984 771648776 /nfs/dbraw/zinc/64/87/76/771648776.db2.gz ZMDGCTVJHWFSDQ-LZLYRXPVSA-N 2 0 321.465 0.662 20 30 DCEDRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH2+]CC#CCOC)C2)C1 ZINC001185090451 771859608 /nfs/dbraw/zinc/85/96/08/771859608.db2.gz MBPKRCGSYVKSDA-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001159900934 771973618 /nfs/dbraw/zinc/97/36/18/771973618.db2.gz DSVCFTNQHPYVQS-OAHLLOKOSA-N 2 0 324.469 0.647 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC12CCOCC2 ZINC001186311012 772030644 /nfs/dbraw/zinc/03/06/44/772030644.db2.gz PONLROIACXBXTP-JKSUJKDBSA-N 2 0 319.449 0.559 20 30 DCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC12CCOCC2 ZINC001186481087 772044837 /nfs/dbraw/zinc/04/48/37/772044837.db2.gz JLVHHHUIVQTRES-HNNXBMFYSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)C[NH+](CC)CC)C2)C1=O ZINC001186489224 772045670 /nfs/dbraw/zinc/04/56/70/772045670.db2.gz XZEGLFQABAOFTN-HUUCEWRRSA-N 2 0 322.453 0.306 20 30 DCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC12CCOCC2 ZINC001186552715 772060021 /nfs/dbraw/zinc/06/00/21/772060021.db2.gz KUSOCBKSDOLKJR-HOTGVXAUSA-N 2 0 321.465 0.969 20 30 DCEDRP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160650783 772087628 /nfs/dbraw/zinc/08/76/28/772087628.db2.gz ZNAGEKPZMKJSRF-FXUDXRNXSA-N 2 0 316.380 0.759 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001187276526 772159106 /nfs/dbraw/zinc/15/91/06/772159106.db2.gz MUULBWOBBVAOPI-LSDHHAIUSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001187307146 772172731 /nfs/dbraw/zinc/17/27/31/772172731.db2.gz WPJHJFKOVRXVAJ-UONOGXRCSA-N 2 0 310.442 0.209 20 30 DCEDRP N#Cc1ccc(O[C@@H]2CCCN(C(=O)[C@H]([NH3+])CCC[NH3+])C2)cc1 ZINC001161325235 772205498 /nfs/dbraw/zinc/20/54/98/772205498.db2.gz YTKAGOHNHUYNDI-HZPDHXFCSA-N 2 0 316.405 0.994 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001203699912 772448510 /nfs/dbraw/zinc/44/85/10/772448510.db2.gz WYPZUJJWSMQDHU-KGLIPLIRSA-N 2 0 322.453 0.209 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190195272 772604876 /nfs/dbraw/zinc/60/48/76/772604876.db2.gz DBEUIXRTWXHNPB-IAGOWNOFSA-N 2 0 319.449 0.511 20 30 DCEDRP CC[C@H](C(=O)NCCC1(C[NH2+]CC#CCOC)CC1)[NH+](C)C ZINC001165718261 772757781 /nfs/dbraw/zinc/75/77/81/772757781.db2.gz GIPNEYFWAILPTK-OAHLLOKOSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001166446325 772811639 /nfs/dbraw/zinc/81/16/39/772811639.db2.gz BQWQCFLOEXVHRL-GJZGRUSLSA-N 2 0 324.469 0.341 20 30 DCEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001205345568 772988165 /nfs/dbraw/zinc/98/81/65/772988165.db2.gz RCGMWXHFHVQMAF-IAGOWNOFSA-N 2 0 319.449 0.701 20 30 DCEDRP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001210277588 773694270 /nfs/dbraw/zinc/69/42/70/773694270.db2.gz VKWLKGHOVCOICQ-OWCLPIDISA-N 2 0 309.454 0.967 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2nccnc2C)CC1 ZINC001152330476 773730304 /nfs/dbraw/zinc/73/03/04/773730304.db2.gz OVIQSWCYKUVBAZ-UHFFFAOYSA-N 2 0 315.421 0.336 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001215015423 774034318 /nfs/dbraw/zinc/03/43/18/774034318.db2.gz RZFLQWFPIZPAFL-GDBMZVCRSA-N 2 0 300.406 0.978 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423227 774072159 /nfs/dbraw/zinc/07/21/59/774072159.db2.gz CGFVDQGSIDTBIT-RBSFLKMASA-N 2 0 324.469 0.455 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CCCO1 ZINC001200479219 774360584 /nfs/dbraw/zinc/36/05/84/774360584.db2.gz OOHHRFJNTSYSCY-JKSUJKDBSA-N 2 0 307.438 0.700 20 30 DCEDRP CC#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001200658455 774392686 /nfs/dbraw/zinc/39/26/86/774392686.db2.gz NEXVCNKMQLEQIA-JKSUJKDBSA-N 2 0 305.422 0.454 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CCCO1 ZINC001200806429 774411764 /nfs/dbraw/zinc/41/17/64/774411764.db2.gz PVLZZWRUDYGEKX-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001201239671 774468798 /nfs/dbraw/zinc/46/87/98/774468798.db2.gz LDAYRBUIGQHSTL-CQSZACIVSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCO1 ZINC001201244984 774471034 /nfs/dbraw/zinc/47/10/34/774471034.db2.gz BOEIIBKYBHKRHQ-YESZJQIVSA-N 2 0 321.465 0.947 20 30 DCEDRP N#Cc1ccc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c(C#N)c1 ZINC001219393497 774476512 /nfs/dbraw/zinc/47/65/12/774476512.db2.gz NNOZVYVYMIFXQI-AWEZNQCLSA-N 2 0 312.377 0.119 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1 ZINC001201260892 774478475 /nfs/dbraw/zinc/47/84/75/774478475.db2.gz MHRZOCJDKHOIDT-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001202496523 774728272 /nfs/dbraw/zinc/72/82/72/774728272.db2.gz ULVQNSFWQPCSPU-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP CC1(C)CC(=O)C=C(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001220413651 774799983 /nfs/dbraw/zinc/79/99/83/774799983.db2.gz MRYURWLTQKCWAV-CQSZACIVSA-N 2 0 308.426 0.126 20 30 DCEDRP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C1CCC1 ZINC001114413900 774851240 /nfs/dbraw/zinc/85/12/40/774851240.db2.gz ITBMTBWPUZYBJH-QLPKVWCKSA-N 2 0 307.438 0.720 20 30 DCEDRP COCC#CC[NH+]1CCC(CNC(=O)CCC[NH+](C)C)CC1 ZINC001224269628 775551002 /nfs/dbraw/zinc/55/10/02/775551002.db2.gz WVAZPGQQZIIBRB-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001225442678 775678872 /nfs/dbraw/zinc/67/88/72/775678872.db2.gz SJIJGPIMMSKZFH-HNNXBMFYSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CCC[NH+]1CCC(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001225448393 775680366 /nfs/dbraw/zinc/68/03/66/775680366.db2.gz JJEJGKGMEXGYBH-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCN1CC[C@H]([NH+]2CCC(NC(=O)CC[NH+](C)C)CC2)C1=O ZINC001228998804 776146220 /nfs/dbraw/zinc/14/62/20/776146220.db2.gz IBEUOWKUTVNGJW-HNNXBMFYSA-N 2 0 322.453 0.306 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230262603 776270800 /nfs/dbraw/zinc/27/08/00/776270800.db2.gz JJGYJOAETPIEFN-ZIAGYGMSSA-N 2 0 322.453 0.209 20 30 DCEDRP CC#CC[NH+]1CCC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001230275388 776274520 /nfs/dbraw/zinc/27/45/20/776274520.db2.gz OYOCMCQPLPDADJ-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230284360 776275814 /nfs/dbraw/zinc/27/58/14/776275814.db2.gz ALXDQOSFWSBLMM-HZPDHXFCSA-N 2 0 309.454 0.993 20 30 DCEDRP COCC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001317637361 945132404 /nfs/dbraw/zinc/13/24/04/945132404.db2.gz XIFWACPZGCFVJQ-INIZCTEOSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001317810983 945193184 /nfs/dbraw/zinc/19/31/84/945193184.db2.gz HPDOXRODSBYTQZ-IAGOWNOFSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001317862914 945209503 /nfs/dbraw/zinc/20/95/03/945209503.db2.gz JVEPNDNQOQBFDA-HNNXBMFYSA-N 2 0 324.469 0.409 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001278307814 945214099 /nfs/dbraw/zinc/21/40/99/945214099.db2.gz HZGWEEBQSPUMLO-KGLIPLIRSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001278316755 945217670 /nfs/dbraw/zinc/21/76/70/945217670.db2.gz UVDTXYGVYABQAA-LSDHHAIUSA-N 2 0 307.438 0.864 20 30 DCEDRP COCC#CC[NH+]1CCC2(C[C@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001266377636 939101094 /nfs/dbraw/zinc/10/10/94/939101094.db2.gz ZUHDGCOOAGHLMM-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCOCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001266513747 939146219 /nfs/dbraw/zinc/14/62/19/939146219.db2.gz GHPYZMGKOVXLKU-BZUAXINKSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C[C@H](C)OC)C2CC2)CC1 ZINC001266621615 939181606 /nfs/dbraw/zinc/18/16/06/939181606.db2.gz IMMINFKWSVNSEP-HNNXBMFYSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+]C1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001266913338 939275864 /nfs/dbraw/zinc/27/58/64/939275864.db2.gz DSHMPRQLHPHRDG-UHFFFAOYSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001266967467 939292640 /nfs/dbraw/zinc/29/26/40/939292640.db2.gz GDSSOLJFVUTSBS-CHWSQXEVSA-N 2 0 310.442 0.113 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001266993732 939300769 /nfs/dbraw/zinc/30/07/69/939300769.db2.gz DSYQPLSGMISDSP-LSDHHAIUSA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCN1CC[C@@H]([N@H+](CC)CCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001267247168 939401733 /nfs/dbraw/zinc/40/17/33/939401733.db2.gz BOUKEZFZTLQTEP-HUUCEWRRSA-N 2 0 322.453 0.306 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](CCNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001267567192 939502242 /nfs/dbraw/zinc/50/22/42/939502242.db2.gz MHVCAXIQYJKTCX-OAHLLOKOSA-N 2 0 317.437 0.520 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCCOCC)C2)CC1 ZINC001267700716 939631095 /nfs/dbraw/zinc/63/10/95/939631095.db2.gz HLRXEJSSPXHTML-UHFFFAOYSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267791187 939683706 /nfs/dbraw/zinc/68/37/06/939683706.db2.gz VWTNUJCEISZCQN-HUUCEWRRSA-N 2 0 322.453 0.163 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCCOC)CC1 ZINC001282239954 940026122 /nfs/dbraw/zinc/02/61/22/940026122.db2.gz AEULPRAOOIBESV-GJZGRUSLSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH2+]C[C@H](O)CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001268329416 940062403 /nfs/dbraw/zinc/06/24/03/940062403.db2.gz UAJYOXOWGCZUNW-HOTGVXAUSA-N 2 0 303.406 0.379 20 30 DCEDRP C#CCNC(=O)CN1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001481746791 940106698 /nfs/dbraw/zinc/10/66/98/940106698.db2.gz IWSZSRBTNCGWIY-HNNXBMFYSA-N 2 0 322.453 0.000 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2ccnn2C)CC1 ZINC001268716419 940339302 /nfs/dbraw/zinc/33/93/02/940339302.db2.gz CIIFWTXCBXZXDR-AWEZNQCLSA-N 2 0 317.437 0.360 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CCO)CC1 ZINC001268769791 940354304 /nfs/dbraw/zinc/35/43/04/940354304.db2.gz GRGYZOASMFEFLX-IAGOWNOFSA-N 2 0 321.465 0.589 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CCCOC)C2)CC1 ZINC001269296327 940674784 /nfs/dbraw/zinc/67/47/84/940674784.db2.gz MARBMZPHPGJHLP-QGZVFWFLSA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001269736472 940766976 /nfs/dbraw/zinc/76/69/76/940766976.db2.gz KKCQBPBAQOTTRB-QGZVFWFLSA-N 2 0 307.438 0.512 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001270129837 940840873 /nfs/dbraw/zinc/84/08/73/940840873.db2.gz VDISLPPCSGJATG-OAHLLOKOSA-N 2 0 322.453 0.211 20 30 DCEDRP COCC#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001270925211 941225632 /nfs/dbraw/zinc/22/56/32/941225632.db2.gz AVRIVQLVBKZTLT-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001271152194 941291817 /nfs/dbraw/zinc/29/18/17/941291817.db2.gz KFEQIQCCEKAMEX-NVXWUHKLSA-N 2 0 307.438 0.437 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001272330987 942691210 /nfs/dbraw/zinc/69/12/10/942691210.db2.gz AGIMYGNABHQLGH-HOTGVXAUSA-N 2 0 307.438 0.607 20 30 DCEDRP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001484357075 943334358 /nfs/dbraw/zinc/33/43/58/943334358.db2.gz YFEAUWDILIKLHC-HZPDHXFCSA-N 2 0 321.465 0.947 20 30 DCEDRP C=C(C)C[NH2+]C1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001484423789 943369287 /nfs/dbraw/zinc/36/92/87/943369287.db2.gz UGTXHVCVUOXKDB-HNNXBMFYSA-N 2 0 308.470 0.684 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C ZINC001484459864 943404063 /nfs/dbraw/zinc/40/40/63/943404063.db2.gz YYSXAPRVUITJTE-BBWFWOEESA-N 2 0 319.449 0.796 20 30 DCEDRP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001484548322 943447763 /nfs/dbraw/zinc/44/77/63/943447763.db2.gz BLMRYSBYIWRWSC-JKSUJKDBSA-N 2 0 307.438 0.416 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001490904515 943597376 /nfs/dbraw/zinc/59/73/76/943597376.db2.gz PRIPTRCQXBPWOG-HDJSIYSDSA-N 2 0 320.437 0.154 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001490958166 943688598 /nfs/dbraw/zinc/68/85/98/943688598.db2.gz PXUZHLZASPFOEO-ULQDDVLXSA-N 2 0 321.465 0.993 20 30 DCEDRP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCN1CCOCC1 ZINC001485482210 943956450 /nfs/dbraw/zinc/95/64/50/943956450.db2.gz JSQKSUIJSHRZFL-MRXNPFEDSA-N 2 0 307.438 0.703 20 30 DCEDRP COCC#CC[N@H+](C)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001485766984 944123931 /nfs/dbraw/zinc/12/39/31/944123931.db2.gz SOEOCRPISSYSEB-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001485883167 944379098 /nfs/dbraw/zinc/37/90/98/944379098.db2.gz ZUMYATIEOMGMDT-UONOGXRCSA-N 2 0 322.453 0.045 20 30 DCEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001486010663 944496377 /nfs/dbraw/zinc/49/63/77/944496377.db2.gz LRSBHGPIOJCBAT-CQSZACIVSA-N 2 0 309.454 0.729 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001317079962 944783138 /nfs/dbraw/zinc/78/31/38/944783138.db2.gz ALEVTXNCLHIXCT-ZQDZILKHSA-N 2 0 322.453 0.398 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001317321426 944922026 /nfs/dbraw/zinc/92/20/26/944922026.db2.gz FYUCZNUVIVSQCT-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001317381547 944946563 /nfs/dbraw/zinc/94/65/63/944946563.db2.gz MDOKITYRAPYJGJ-INIZCTEOSA-N 2 0 319.449 0.655 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001277956091 945061604 /nfs/dbraw/zinc/06/16/04/945061604.db2.gz GRPBPQDGFYFXDJ-HNNXBMFYSA-N 2 0 305.426 0.825 20 30 DCEDRP COC(=O)[C@@H]1C[C@H]([NH+]=C(C)NCc2cccc(C[NH3+])c2)CN1 ZINC001246528475 945425991 /nfs/dbraw/zinc/42/59/91/945425991.db2.gz XMXJWEBDULSRID-GJZGRUSLSA-N 2 0 304.394 0.557 20 30 DCEDRP C=CCN1CCN(C)C2(CC[NH+]([C@@H]3CC[NH2+][C@@H](C)C3)CC2)C1=O ZINC001246739030 945478211 /nfs/dbraw/zinc/47/82/11/945478211.db2.gz INYIJHRYXQPTDN-JKSUJKDBSA-N 2 0 320.481 0.922 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C)C1=O ZINC001319525197 945610927 /nfs/dbraw/zinc/61/09/27/945610927.db2.gz MJVQEMVBVOTCLY-ZIAGYGMSSA-N 2 0 310.442 0.162 20 30 DCEDRP C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)C1CC[NH+](C)CC1 ZINC001319776263 945664240 /nfs/dbraw/zinc/66/42/40/945664240.db2.gz JMCRFIBMZVUYJN-VVLLMFOMSA-N 2 0 306.410 0.833 20 30 DCEDRP C#CCOC[C@@H](O)C[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001251884820 945808546 /nfs/dbraw/zinc/80/85/46/945808546.db2.gz HWPSXNDYVYYPHY-KRWDZBQOSA-N 2 0 317.433 0.539 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001321627898 946405039 /nfs/dbraw/zinc/40/50/39/946405039.db2.gz NPKNXPSTMISHDY-QPSCCSFWSA-N 2 0 324.469 0.502 20 30 DCEDRP C#CCC[NH2+]C[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC001323022513 946902143 /nfs/dbraw/zinc/90/21/43/946902143.db2.gz OQASYMLCWCWASN-INIZCTEOSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001324353107 947398722 /nfs/dbraw/zinc/39/87/22/947398722.db2.gz ODJAIERNLNOPNH-MRXNPFEDSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001324826211 947543692 /nfs/dbraw/zinc/54/36/92/947543692.db2.gz NKFPPDWKDSVURZ-NVXWUHKLSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CCOCC1 ZINC001325037309 947620062 /nfs/dbraw/zinc/62/00/62/947620062.db2.gz LRWZBJPPDFPZPY-INIZCTEOSA-N 2 0 305.422 0.361 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC1(O)CN(CCC(=C)C)C1 ZINC001325224752 947714407 /nfs/dbraw/zinc/71/44/07/947714407.db2.gz LNEMPCMTWHBADA-HNNXBMFYSA-N 2 0 305.422 0.213 20 30 DCEDRP C#CCCN1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001325235730 947720954 /nfs/dbraw/zinc/72/09/54/947720954.db2.gz AJMOQZQPADWDBP-OAHLLOKOSA-N 2 0 307.438 0.293 20 30 DCEDRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001326341583 948133589 /nfs/dbraw/zinc/13/35/89/948133589.db2.gz WJKNEGDQLHHSPC-GJZGRUSLSA-N 2 0 309.458 0.397 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001327144980 948406991 /nfs/dbraw/zinc/40/69/91/948406991.db2.gz BLYBLJQOZZJQQS-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=C[C@H](O)C[N@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001273880840 948651695 /nfs/dbraw/zinc/65/16/95/948651695.db2.gz GPLJYHNWRRBCLR-RDJZCZTQSA-N 2 0 309.454 0.800 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001328284090 948808447 /nfs/dbraw/zinc/80/84/47/948808447.db2.gz NYLUJCNSDCYILK-HUUCEWRRSA-N 2 0 324.469 0.598 20 30 DCEDRP C#CC[NH+](C)CCOCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001489212282 949605711 /nfs/dbraw/zinc/60/57/11/949605711.db2.gz PHWGLKVETLVAQA-MRXNPFEDSA-N 2 0 309.454 0.899 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001265378480 949644387 /nfs/dbraw/zinc/64/43/87/949644387.db2.gz MBLZFMMMEMEEHB-HOTGVXAUSA-N 2 0 309.454 0.707 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2)C1=O ZINC001265484952 949721572 /nfs/dbraw/zinc/72/15/72/949721572.db2.gz SSKOFGMPWNVABA-KBUPBQIOSA-N 2 0 322.453 0.350 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)COC)CC1 ZINC001329625149 949724397 /nfs/dbraw/zinc/72/43/97/949724397.db2.gz VBOVMYQURCNUAR-HUUCEWRRSA-N 2 0 309.454 0.803 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001265597225 949807106 /nfs/dbraw/zinc/80/71/06/949807106.db2.gz SZPGIQABNUZULA-IAGOWNOFSA-N 2 0 321.465 0.806 20 30 DCEDRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)C[C@H]1C[NH+](C)C ZINC001330626194 950554829 /nfs/dbraw/zinc/55/48/29/950554829.db2.gz ZFGRYIOOKAMVON-BZUAXINKSA-N 3 0 323.485 0.595 20 30 DCEDRP C#CCC[NH+]1CCC[C@](CO)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001279508873 950607685 /nfs/dbraw/zinc/60/76/85/950607685.db2.gz HALIHUUEXRZDOG-WBVHZDCISA-N 2 0 307.438 0.295 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001280462407 950884694 /nfs/dbraw/zinc/88/46/94/950884694.db2.gz RNWKBUHLSOUJPY-MRXNPFEDSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)[C@@H](F)C[NH+](CC)CC)CCOCC1 ZINC001273974110 951204497 /nfs/dbraw/zinc/20/44/97/951204497.db2.gz BMWBTZPESDFHLO-AWEZNQCLSA-N 2 0 313.417 0.555 20 30 DCEDRP C#CCC[NH2+][C@H](CO)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001331786303 951318012 /nfs/dbraw/zinc/31/80/12/951318012.db2.gz BNUWKGPYIAYHPS-BBRMVZONSA-N 2 0 313.417 0.289 20 30 DCEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001331843950 951357500 /nfs/dbraw/zinc/35/75/00/951357500.db2.gz ZEHREWFEICOLRD-MRXNPFEDSA-N 2 0 303.406 0.452 20 30 DCEDRP C=CCOCC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001281460521 951509519 /nfs/dbraw/zinc/50/95/19/951509519.db2.gz ZSWHURMQUDZPCP-GJZGRUSLSA-N 2 0 307.438 0.721 20 30 DCEDRP C=CCCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001274479964 951654911 /nfs/dbraw/zinc/65/49/11/951654911.db2.gz OJEGDLIGEVMCBM-INIZCTEOSA-N 2 0 320.481 0.733 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001332607318 951719338 /nfs/dbraw/zinc/71/93/38/951719338.db2.gz SDOXCTVXNDZRCQ-IAGOWNOFSA-N 2 0 323.481 0.929 20 30 DCEDRP C=C[C@@](C)(O)C[NH+]1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001274614867 951740060 /nfs/dbraw/zinc/74/00/60/951740060.db2.gz NDPRHJBFUFNXGF-GDBMZVCRSA-N 2 0 309.454 0.703 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)C1(C[NH+](C)C)CC1)CCO2 ZINC001274862509 951861932 /nfs/dbraw/zinc/86/19/32/951861932.db2.gz DYJHPOWWHOHHDX-UHFFFAOYSA-N 2 0 319.449 0.655 20 30 DCEDRP C=CCN1CC[C@@H]([NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C)C1=O ZINC001276013777 952623020 /nfs/dbraw/zinc/62/30/20/952623020.db2.gz ZPXBLQSQIWSQIA-HUUCEWRRSA-N 2 0 324.469 0.550 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001280793466 953041188 /nfs/dbraw/zinc/04/11/88/953041188.db2.gz KUZRCPRFIVLJIH-LSDHHAIUSA-N 2 0 324.469 0.552 20 30 DCEDRP C=CC[C@@]1(C(=O)NCCCCCN2CC[NH2+]CC2)CCC[NH2+]1 ZINC001341192745 953215962 /nfs/dbraw/zinc/21/59/62/953215962.db2.gz SWGAWVDBPPPPSV-KRWDZBQOSA-N 2 0 308.470 0.876 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001281888112 953404115 /nfs/dbraw/zinc/40/41/15/953404115.db2.gz ZBGXRSGRQBQQKV-INIZCTEOSA-N 2 0 317.437 0.662 20 30 DCEDRP COCC#CC[NH2+]CC1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001282014546 953445661 /nfs/dbraw/zinc/44/56/61/953445661.db2.gz AEHPKMBHMIKPGB-UHFFFAOYSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCOCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001282872697 953710990 /nfs/dbraw/zinc/71/09/90/953710990.db2.gz XWBKMFKOUZQXGY-WCXIOVBPSA-N 2 0 321.465 0.967 20 30 DCEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001366164976 953763264 /nfs/dbraw/zinc/76/32/64/953763264.db2.gz LTUDWMNPIQVRIB-BNOWGMLFSA-N 2 0 315.845 0.944 20 30 DCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001347156683 954033895 /nfs/dbraw/zinc/03/38/95/954033895.db2.gz AURUOXHBECVBGT-CABCVRRESA-N 2 0 308.426 0.721 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001283621487 954489003 /nfs/dbraw/zinc/48/90/03/954489003.db2.gz MDMQTUPJQWELMZ-KGLIPLIRSA-N 2 0 322.453 0.045 20 30 DCEDRP C=CC[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001283802668 954618730 /nfs/dbraw/zinc/61/87/30/954618730.db2.gz BLLVPYMMZMGUAT-BBWFWOEESA-N 2 0 317.433 0.585 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCO)C2)CC1 ZINC001284243565 954956143 /nfs/dbraw/zinc/95/61/43/954956143.db2.gz HMNWOBAEVVIHQK-HOCLYGCPSA-N 2 0 307.438 0.198 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001350405990 955085714 /nfs/dbraw/zinc/08/57/14/955085714.db2.gz XOMORKYRJPTUJN-MRXNPFEDSA-N 2 0 319.449 0.607 20 30 DCEDRP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001284516581 955150547 /nfs/dbraw/zinc/15/05/47/955150547.db2.gz MEBCNJDTWWDHKA-MRXNPFEDSA-N 2 0 309.454 0.493 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@@H]2COC)CC1 ZINC001353331754 956022892 /nfs/dbraw/zinc/02/28/92/956022892.db2.gz YMEPWOBGVYSGPX-OAHLLOKOSA-N 2 0 310.442 0.657 20 30 DCEDRP C=CC[C@]1(C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CCC[NH2+]1 ZINC001354696617 956479629 /nfs/dbraw/zinc/47/96/29/956479629.db2.gz QDFLNXOBWGVSMH-RHSMWYFYSA-N 2 0 307.438 0.960 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001491857667 959312765 /nfs/dbraw/zinc/31/27/65/959312765.db2.gz XGVIRJNUONFNSQ-JKSUJKDBSA-N 2 0 307.438 0.416 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC#CCOC)C1 ZINC001491808180 959320345 /nfs/dbraw/zinc/32/03/45/959320345.db2.gz HWXLDSYOAQUPBP-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1OCC ZINC001316687364 960028826 /nfs/dbraw/zinc/02/88/26/960028826.db2.gz DWAHLTYXDLNGRB-BRWVUGGUSA-N 2 0 319.449 0.415 20 30 DCEDRP CC(C)[NH+]1CCC(O)(CNC(=O)NCC#CC[NH+](C)C)CC1 ZINC001313438205 960302368 /nfs/dbraw/zinc/30/23/68/960302368.db2.gz JHFHOLDUJAWNNI-UHFFFAOYSA-N 2 0 310.442 0.086 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001369489016 965067698 /nfs/dbraw/zinc/06/76/98/965067698.db2.gz ZTFXKDBWAUAQDE-CHWSQXEVSA-N 2 0 305.850 0.734 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCOCC1 ZINC001502644085 1016011515 /nfs/dbraw/zinc/01/15/15/1016011515.db2.gz VJDLRAUBQIDWMI-GASCZTMLSA-N 2 0 307.438 0.747 20 30 DCEDRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001420186572 1001997731 /nfs/dbraw/zinc/99/77/31/1001997731.db2.gz BZZDUOIGJCLCNR-CVEARBPZSA-N 2 0 316.405 0.077 20 30 DCEDRP N#Cc1ccccc1C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001445268976 1011601134 /nfs/dbraw/zinc/60/11/34/1011601134.db2.gz LKDGVXMIAGAMFK-MRXNPFEDSA-N 2 0 316.405 0.221 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC001499857820 1018106252 /nfs/dbraw/zinc/10/62/52/1018106252.db2.gz NYZVZRTXHCKXNJ-GJZGRUSLSA-N 2 0 322.453 0.045 20 30 DCEDRP COCC#CC[NH+]1CCC(C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001500003588 1018165788 /nfs/dbraw/zinc/16/57/88/1018165788.db2.gz SCZIMKPWEFZESP-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCO)CC1 ZINC001500054609 1018191436 /nfs/dbraw/zinc/19/14/36/1018191436.db2.gz RUJZFJDBNBJJTI-OAHLLOKOSA-N 2 0 307.438 0.247 20 30 DCEDRP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001500057537 1018193712 /nfs/dbraw/zinc/19/37/12/1018193712.db2.gz ITABNIWYIVSWAK-GJZGRUSLSA-N 2 0 307.438 0.245 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC#CCOC ZINC001497766218 1018398661 /nfs/dbraw/zinc/39/86/61/1018398661.db2.gz UKUXVMLGPMZIBF-OGZRUICASA-N 2 0 307.438 0.773 20 30 DCEDRP COCC#CC[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001495233851 1018413115 /nfs/dbraw/zinc/41/31/15/1018413115.db2.gz MZYJPLDMFMCFDF-WBVHZDCISA-N 2 0 307.438 0.605 20 30 DCEDRP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001500402542 1018439799 /nfs/dbraw/zinc/43/97/99/1018439799.db2.gz VGWCOJUMPSTFTR-NVXWUHKLSA-N 2 0 307.438 0.416 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001497953530 1018536478 /nfs/dbraw/zinc/53/64/78/1018536478.db2.gz VUMVXAYTSDQGJO-OAHLLOKOSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001495568484 1018577344 /nfs/dbraw/zinc/57/73/44/1018577344.db2.gz QVKIZBFULBCNTD-MRXNPFEDSA-N 2 0 319.449 0.845 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2ccnn2C)CC1 ZINC001480596500 1018693319 /nfs/dbraw/zinc/69/33/19/1018693319.db2.gz KPMPOVCWABFDMI-AWEZNQCLSA-N 2 0 317.437 0.360 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001480674281 1018766423 /nfs/dbraw/zinc/76/64/23/1018766423.db2.gz MYGABGKDPPDAHT-HZPDHXFCSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]C[C@@H]2CCOC2)CC1 ZINC001496238599 1019184886 /nfs/dbraw/zinc/18/48/86/1019184886.db2.gz MDNTYKHLHWYFAI-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CCOC)C(C)C)CC1 ZINC001496638054 1019473819 /nfs/dbraw/zinc/47/38/19/1019473819.db2.gz ADRQZXLCKBUPEU-MRXNPFEDSA-N 2 0 309.454 0.708 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)CCO1 ZINC001502056306 1019667907 /nfs/dbraw/zinc/66/79/07/1019667907.db2.gz URRMCYFNYFZQRL-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001494178901 1020052124 /nfs/dbraw/zinc/05/21/24/1020052124.db2.gz AQLZDFSHTDHBKE-HOTGVXAUSA-N 2 0 309.454 0.921 20 30 DCEDRP CSC1(CNC(=[NH2+])NC[C@H]2CCCO2)CC[NH+](C)CC1 ZINC000262368132 238173119 /nfs/dbraw/zinc/17/31/19/238173119.db2.gz KZOVYNQCIVSXKI-GFCCVEGCSA-N 2 0 300.472 0.897 20 30 DCEDRP C[C@@H]1C[NH+]=C(NCCN2CC[NH+](Cc3ccccc3)CC2)N1 ZINC000262686270 238178311 /nfs/dbraw/zinc/17/83/11/238178311.db2.gz YNXIOUBYSJZPFL-OAHLLOKOSA-N 2 0 301.438 0.742 20 30 DCEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000262763307 532964949 /nfs/dbraw/zinc/96/49/49/532964949.db2.gz GRWOTIORULEDCF-GFCCVEGCSA-N 2 0 319.409 0.430 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000491264395 533102485 /nfs/dbraw/zinc/10/24/85/533102485.db2.gz GMRHEFGRDDTJOB-INIZCTEOSA-N 2 0 322.453 0.305 20 30 DCEDRP CN(CCC#N)C[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000580182966 396491304 /nfs/dbraw/zinc/49/13/04/396491304.db2.gz MQQRMPJQDOYNOI-BRWVUGGUSA-N 2 0 324.469 0.160 20 30 DCEDRP C[NH+](C)CCCN(CCC#N)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000601015215 396990618 /nfs/dbraw/zinc/99/06/18/396990618.db2.gz HLXSCHPTCYICHM-UHFFFAOYSA-N 2 0 320.441 0.752 20 30 DCEDRP C[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)[N@H+](C)C1CC1 ZINC000264260263 416339206 /nfs/dbraw/zinc/33/92/06/416339206.db2.gz JCNNJXWPRLHGAE-CYBMUJFWSA-N 2 0 317.441 0.396 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)CCN(C)C)CC1 ZINC000491629452 416607184 /nfs/dbraw/zinc/60/71/84/416607184.db2.gz OIAXRLFVUQLSQG-UHFFFAOYSA-N 2 0 308.470 0.331 20 30 DCEDRP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567894695 417068907 /nfs/dbraw/zinc/06/89/07/417068907.db2.gz OLZYOJYJVCTARR-OAHLLOKOSA-N 2 0 307.438 0.874 20 30 DCEDRP C=CC[C@]1(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCC[NH2+]1 ZINC000662749563 417886318 /nfs/dbraw/zinc/88/63/18/417886318.db2.gz FAFYOHLCJMLRHM-DOTOQJQBSA-N 2 0 307.438 0.865 20 30 DCEDRP C=C[C@H](CO)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000662168125 418386052 /nfs/dbraw/zinc/38/60/52/418386052.db2.gz UWFILAPKBMMEDZ-DJIMGWMZSA-N 2 0 317.433 0.902 20 30 DCEDRP C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000329814966 336085214 /nfs/dbraw/zinc/08/52/14/336085214.db2.gz DYJKJCFMMDMMRY-SOUVJXGZSA-N 2 0 324.469 0.938 20 30 DCEDRP C[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000330177010 336120966 /nfs/dbraw/zinc/12/09/66/336120966.db2.gz KIQIRDDCJCVSMO-HZPDHXFCSA-N 2 0 324.469 0.962 20 30 DCEDRP COCC#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001570200674 1161486302 /nfs/dbraw/zinc/48/63/02/1161486302.db2.gz DFQJLKFJHJWKAO-INIZCTEOSA-N 2 0 309.454 0.901 20 30 DCEDRP C[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000262264720 526345333 /nfs/dbraw/zinc/34/53/33/526345333.db2.gz FQFASOIARQBQKJ-UKRRQHHQSA-N 2 0 321.469 0.599 20 30 DCEDRP C[NH+]=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)NC1CC1 ZINC000264096073 526369023 /nfs/dbraw/zinc/36/90/23/526369023.db2.gz XPNCPMXCXLJHMT-MRXNPFEDSA-N 2 0 302.422 0.733 20 30 DCEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N(C)Cc1cccn1C ZINC000261948690 526373603 /nfs/dbraw/zinc/37/36/03/526373603.db2.gz GQPYELZTTSYODI-OAHLLOKOSA-N 2 0 306.458 0.278 20 30 DCEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000264132732 527740455 /nfs/dbraw/zinc/74/04/55/527740455.db2.gz YJYKLNWRUJBONV-AWEZNQCLSA-N 2 0 317.441 0.255 20 30 DCEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC2CC[NH+](C)CC2)C1 ZINC000328775534 546040163 /nfs/dbraw/zinc/04/01/63/546040163.db2.gz KPZNPSMFCIMIBP-HNNXBMFYSA-N 2 0 312.458 0.941 20 30 DCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)CN1CC[NH2+]CC1)C(C)C ZINC000638070324 546337076 /nfs/dbraw/zinc/33/70/76/546337076.db2.gz YNGQZIMIUVZYOL-MRXNPFEDSA-N 2 0 308.470 0.706 20 30 DCEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001027634709 660559728 /nfs/dbraw/zinc/55/97/28/660559728.db2.gz OAUXBCFTLRRJJI-HNNXBMFYSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028037509 661094001 /nfs/dbraw/zinc/09/40/01/661094001.db2.gz ZITVLYAGHIPDKI-DGNOSDGRSA-N 2 0 303.406 0.063 20 30 DCEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000972522936 657578900 /nfs/dbraw/zinc/57/89/00/657578900.db2.gz QHVWBJPDQTVPGE-OAHLLOKOSA-N 2 0 305.426 0.777 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001021050718 658731137 /nfs/dbraw/zinc/73/11/37/658731137.db2.gz QVPOJDQRTPNXTM-KKUMJFAQSA-N 2 0 320.437 0.106 20 30 DCEDRP C#CCN1CC([C@H](C)NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC000970338694 658870410 /nfs/dbraw/zinc/87/04/10/658870410.db2.gz OKDAMZNGCNKLIS-GXTWGEPZSA-N 2 0 300.406 0.824 20 30 DCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CCCC[NH+]2C1 ZINC001025781314 659555766 /nfs/dbraw/zinc/55/57/66/659555766.db2.gz CDMUXYWYCTYLLL-MTSZKFMLSA-N 2 0 301.434 0.931 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC001019774873 659613190 /nfs/dbraw/zinc/61/31/90/659613190.db2.gz LTFOEGIEURRRLP-GJZGRUSLSA-N 2 0 320.437 0.060 20 30 DCEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001027498516 659627481 /nfs/dbraw/zinc/62/74/81/659627481.db2.gz HMHMFKAGGZHLFN-BNQMIIOLSA-N 2 0 317.433 0.406 20 30 DCEDRP C[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261657623 661354455 /nfs/dbraw/zinc/35/44/55/661354455.db2.gz AHYXPEYSURMRGM-NJZAAPMLSA-N 2 0 312.483 0.502 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001028547529 661603494 /nfs/dbraw/zinc/60/34/94/661603494.db2.gz XLGLPIRPCHIUBJ-OAHLLOKOSA-N 2 0 317.437 0.520 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](C[C@@H](C)OC)C2)CC1 ZINC001029003002 661930028 /nfs/dbraw/zinc/93/00/28/661930028.db2.gz GMFXIHMFXIFZLO-CVEARBPZSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)COC ZINC001029342538 662111675 /nfs/dbraw/zinc/11/16/75/662111675.db2.gz SZQZSPYFHBMPGR-NCOADZHNSA-N 2 0 319.449 0.794 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCCO)CC1 ZINC001029597063 662423410 /nfs/dbraw/zinc/42/34/10/662423410.db2.gz ITXKWFSQQGSPLJ-CALCHBBNSA-N 2 0 319.449 0.389 20 30 DCEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000986300234 662581148 /nfs/dbraw/zinc/58/11/48/662581148.db2.gz QXWNVFMQTDJHGR-KBPBESRZSA-N 2 0 305.426 0.823 20 30 DCEDRP C#CCC[NH2+]C[C@@H](NC(=O)C1CC[NH+](CC#C)CC1)C1CC1 ZINC001670557163 1157461764 /nfs/dbraw/zinc/46/17/64/1157461764.db2.gz RYTJNYYIFVSEKF-QGZVFWFLSA-N 2 0 301.434 0.839 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CCO)CC3)CC1 ZINC000992513157 664730534 /nfs/dbraw/zinc/73/05/34/664730534.db2.gz VPXBUQMQMBUEKV-FUHWJXTLSA-N 2 0 319.449 0.437 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000941436892 665998029 /nfs/dbraw/zinc/99/80/29/665998029.db2.gz KLMUPQCGWWHUAT-QGZVFWFLSA-N 2 0 320.481 0.731 20 30 DCEDRP C=CCN1CC(N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941636604 666032893 /nfs/dbraw/zinc/03/28/93/666032893.db2.gz OQVFPEUIPWXBEX-OAHLLOKOSA-N 2 0 306.454 0.343 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001001756720 666098865 /nfs/dbraw/zinc/09/88/65/666098865.db2.gz IWKVFKVHIWZDIB-INIZCTEOSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCN(C(=O)NCCOCC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000922145825 666266799 /nfs/dbraw/zinc/26/67/99/666266799.db2.gz WVCRYDMOKHCTDT-UHFFFAOYSA-N 2 0 310.442 0.304 20 30 DCEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001005427438 666856155 /nfs/dbraw/zinc/85/61/55/666856155.db2.gz WSNKHOQAZXCVPA-HZPDHXFCSA-N 2 0 305.422 0.406 20 30 DCEDRP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001032475621 667298771 /nfs/dbraw/zinc/29/87/71/667298771.db2.gz ZQSKXZDFEVVLAA-GJZGRUSLSA-N 2 0 307.438 0.816 20 30 DCEDRP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000997530943 667322665 /nfs/dbraw/zinc/32/26/65/667322665.db2.gz LPOHWRUUBDGQJB-HOCLYGCPSA-N 2 0 307.438 0.557 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000884642360 667581055 /nfs/dbraw/zinc/58/10/55/667581055.db2.gz HHGZJZYJCCDURF-UHFFFAOYSA-N 2 0 310.442 0.387 20 30 DCEDRP C[NH+](C)C[C@@H]1CN(C(=O)c2cnccc2C#N)C[C@H]1C[NH+](C)C ZINC000870018779 667698628 /nfs/dbraw/zinc/69/86/28/667698628.db2.gz WMNMJMSDYQZKJK-HUUCEWRRSA-N 2 0 315.421 0.765 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870941151 667776244 /nfs/dbraw/zinc/77/62/44/667776244.db2.gz RLKFLYXIHZBNDQ-GHMZBOCLSA-N 2 0 305.407 0.451 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000876781990 668510777 /nfs/dbraw/zinc/51/07/77/668510777.db2.gz KTPMEEWSEDXMSA-OCCSQVGLSA-N 2 0 316.877 0.846 20 30 DCEDRP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@H]([NH3+])CCCC#N ZINC000877133058 668565485 /nfs/dbraw/zinc/56/54/85/668565485.db2.gz VFYIDKWTKLUARI-OAHLLOKOSA-N 2 0 310.442 0.824 20 30 DCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(CC[NH3+])cc1)C2 ZINC000884020786 669813021 /nfs/dbraw/zinc/81/30/21/669813021.db2.gz JPEUOABGWABITK-PQUAAJSLSA-N 2 0 312.417 0.943 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC000948069315 670053464 /nfs/dbraw/zinc/05/34/64/670053464.db2.gz FTVCLKOVECHDJY-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NCC1(NC(=O)C(=C)C[NH+](C)C)CCC1 ZINC000803657063 670257286 /nfs/dbraw/zinc/25/72/86/670257286.db2.gz FKDWKXLDSRSEBA-UHFFFAOYSA-N 2 0 322.453 0.377 20 30 DCEDRP C[NH+]=C(NCCCC[N@H+](C)C1CC1)NCCN1CCOCC1 ZINC000849039555 670753577 /nfs/dbraw/zinc/75/35/77/670753577.db2.gz FPIRYRMJAVSTAW-UHFFFAOYSA-N 2 0 311.474 0.358 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOC[C@@H]1CCCO1 ZINC000303769876 685206380 /nfs/dbraw/zinc/20/63/80/685206380.db2.gz BHLKPNFACCEYFW-GJZGRUSLSA-N 2 0 312.458 0.961 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000305888585 685217828 /nfs/dbraw/zinc/21/78/28/685217828.db2.gz ZRYBMKUNJRFYIX-TZMCWYRMSA-N 2 0 307.442 0.386 20 30 DCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1CC ZINC001037970176 693976275 /nfs/dbraw/zinc/97/62/75/693976275.db2.gz MORAXNJFSRMKIR-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214495 687446289 /nfs/dbraw/zinc/44/62/89/687446289.db2.gz IIIZJNGQDYTMHY-GJZGRUSLSA-N 2 0 307.438 0.600 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCC=C)C[C@H]2O)CC1 ZINC000958725173 687877371 /nfs/dbraw/zinc/87/73/71/687877371.db2.gz WHMRZNWDAFFPRY-IAGOWNOFSA-N 2 0 319.449 0.317 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC(=C)C)C[C@H]2O)CC1 ZINC000958724588 687878317 /nfs/dbraw/zinc/87/83/17/687878317.db2.gz QMQMDYXJNNMNSC-IAGOWNOFSA-N 2 0 319.449 0.317 20 30 DCEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC001072760950 694661625 /nfs/dbraw/zinc/66/16/25/694661625.db2.gz WGYHBRCYBMZVQM-JKSUJKDBSA-N 2 0 317.433 0.407 20 30 DCEDRP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001073661779 694761568 /nfs/dbraw/zinc/76/15/68/694761568.db2.gz COOWSAINBFFUKK-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001570414810 1162507992 /nfs/dbraw/zinc/50/79/92/1162507992.db2.gz HKAQESFNLTYLLP-HNNXBMFYSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001570419666 1162510244 /nfs/dbraw/zinc/51/02/44/1162510244.db2.gz ZYHCHHFESNONLY-HNNXBMFYSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CC[NH2+]CC1CC(NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001570564981 1162544722 /nfs/dbraw/zinc/54/47/22/1162544722.db2.gz NGEPGTMZHSHHGC-UHFFFAOYSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CCC[N@@H+](C)[C@H](C)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001570710382 1162592699 /nfs/dbraw/zinc/59/26/99/1162592699.db2.gz HHMZAUVOIHTDAC-CQSZACIVSA-N 2 0 305.426 0.518 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001571405946 1162734376 /nfs/dbraw/zinc/73/43/76/1162734376.db2.gz QZRJDPPSTWMGSQ-CQSZACIVSA-N 2 0 324.469 0.150 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001649458407 1157430792 /nfs/dbraw/zinc/43/07/92/1157430792.db2.gz MSTMGZYCVXFAQH-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001692234332 1157712892 /nfs/dbraw/zinc/71/28/92/1157712892.db2.gz TXEYOAQLVJVVPY-OWCLPIDISA-N 2 0 307.438 0.245 20 30 DCEDRP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001691535624 1158317117 /nfs/dbraw/zinc/31/71/17/1158317117.db2.gz IEHKMYNYDWYHSC-MRXNPFEDSA-N 2 0 309.454 0.635 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1OCC ZINC001565956678 1159930314 /nfs/dbraw/zinc/93/03/14/1159930314.db2.gz GZTAFFZIORTHBP-BRWVUGGUSA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1OCC ZINC001565952170 1159930520 /nfs/dbraw/zinc/93/05/20/1159930520.db2.gz MHIDOZFORXKRJN-BRWVUGGUSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001566772430 1160148753 /nfs/dbraw/zinc/14/87/53/1160148753.db2.gz QMESBCRXMJOZLJ-DZGCQCFKSA-N 2 0 310.442 0.065 20 30 DCEDRP C#CCC[NH2+]C1CCC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001566992769 1160202126 /nfs/dbraw/zinc/20/21/26/1160202126.db2.gz YOWSERNDWAIZGH-GTPINHCMSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]C[C@@H](C)OC)C2)CC1 ZINC001567109418 1160243175 /nfs/dbraw/zinc/24/31/75/1160243175.db2.gz LRFDFSPXBVHHAW-ZBFHGGJFSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001567143861 1160255291 /nfs/dbraw/zinc/25/52/91/1160255291.db2.gz QPORIZXVVRSASK-AWEZNQCLSA-N 2 0 305.426 0.682 20 30 DCEDRP C=CC[NH+]1CCN(CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001567719217 1160462868 /nfs/dbraw/zinc/46/28/68/1160462868.db2.gz KUEICESRCZQBSZ-MRXNPFEDSA-N 2 0 310.486 0.835 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCC1 ZINC001568004757 1160561442 /nfs/dbraw/zinc/56/14/42/1160561442.db2.gz KZSMCDIHFNPEMK-AWEZNQCLSA-N 2 0 322.453 0.095 20 30 DCEDRP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001568109975 1160578462 /nfs/dbraw/zinc/57/84/62/1160578462.db2.gz DSHMPRQLHPHRDG-WKILWMFISA-N 2 0 309.454 0.995 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001568578367 1160691648 /nfs/dbraw/zinc/69/16/48/1160691648.db2.gz SIRHSMOXMSXQNM-INIZCTEOSA-N 2 0 303.406 0.057 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H](C)C1 ZINC001569522862 1161086019 /nfs/dbraw/zinc/08/60/19/1161086019.db2.gz OXFKKOULIRTOEE-GJZGRUSLSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1 ZINC001569730009 1161210063 /nfs/dbraw/zinc/21/00/63/1161210063.db2.gz PNKCJRLQLRIDGV-HUUCEWRRSA-N 2 0 307.438 0.605 20 30 DCEDRP C=C(C)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001569751044 1161221991 /nfs/dbraw/zinc/22/19/91/1161221991.db2.gz JMHAHJLTDOYGLG-RDJZCZTQSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001570295492 1161550021 /nfs/dbraw/zinc/55/00/21/1161550021.db2.gz IQIWBQZNTFGKLD-WMZOPIPTSA-N 2 0 321.465 0.827 20 30 DCEDRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@H]([NH3+])CCCC#N ZINC001578525132 1165043204 /nfs/dbraw/zinc/04/32/04/1165043204.db2.gz RSMHNBDXOWRZEA-HNNXBMFYSA-N 2 0 309.458 0.492 20 30 DCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC001580047038 1165486341 /nfs/dbraw/zinc/48/63/41/1165486341.db2.gz BRVMRCWSPKUICJ-HNNXBMFYSA-N 2 0 308.426 0.721 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC001647375589 1172850410 /nfs/dbraw/zinc/85/04/10/1172850410.db2.gz XGTSQOOAYWQYPN-IQXANGCESA-N 2 0 302.422 0.917 20 30 DCEDRP C=CCN1CC[C@@H](N2CC[C@H]2CN(C)C(=O)CC[NH+](C)C)C1=O ZINC001656088556 1173834752 /nfs/dbraw/zinc/83/47/52/1173834752.db2.gz LQZFOAFRMBVBJQ-LSDHHAIUSA-N 2 0 322.453 0.258 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001661690724 1174146604 /nfs/dbraw/zinc/14/66/04/1174146604.db2.gz UUSJJAXAWSGRLJ-MELADBBJSA-N 2 0 310.442 0.254 20 30 DCEDRP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001662685173 1174231876 /nfs/dbraw/zinc/23/18/76/1174231876.db2.gz DAFUIOGLXKIRBG-HOTGVXAUSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CCC[NH+]1CCN(CCN(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001664781246 1174458339 /nfs/dbraw/zinc/45/83/39/1174458339.db2.gz FJFRCKYZBCBWKN-UHFFFAOYSA-N 2 0 320.481 0.734 20 30 DCEDRP C#CCNC(=O)[C@H](C)N1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001665030058 1174474620 /nfs/dbraw/zinc/47/46/20/1174474620.db2.gz RVKXBAHYACPXOT-LSDHHAIUSA-N 2 0 322.453 0.045 20 30 DCEDRP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]CC#CCOC ZINC001665892856 1174571767 /nfs/dbraw/zinc/57/17/67/1174571767.db2.gz IHJPEJMXRBBADN-CVEARBPZSA-N 2 0 309.454 0.995 20 30 DCEDRP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]CC#CCOC ZINC001665892857 1174572444 /nfs/dbraw/zinc/57/24/44/1174572444.db2.gz IHJPEJMXRBBADN-HOTGVXAUSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001667394409 1174680981 /nfs/dbraw/zinc/68/09/81/1174680981.db2.gz SWIHASOXVZIUHA-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001667893205 1174730162 /nfs/dbraw/zinc/73/01/62/1174730162.db2.gz DGTCWFRKTWJSIW-BBWFWOEESA-N 2 0 315.417 0.032 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001669137219 1174898869 /nfs/dbraw/zinc/89/88/69/1174898869.db2.gz FUWFAYNDILQCKE-UHFFFAOYSA-N 2 0 323.485 0.268 20 30 DCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001673677023 1175222781 /nfs/dbraw/zinc/22/27/81/1175222781.db2.gz ZPSFMAIFRBSQBA-WBVHZDCISA-N 2 0 309.454 0.990 20 30 DCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001674319494 1175269721 /nfs/dbraw/zinc/26/97/21/1175269721.db2.gz NATHWZGOIGHJKU-UHFFFAOYSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001675598865 1175377074 /nfs/dbraw/zinc/37/70/74/1175377074.db2.gz JYDVPHGQNHFUOR-LSDHHAIUSA-N 2 0 305.422 0.454 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001676651086 1175473388 /nfs/dbraw/zinc/47/33/88/1175473388.db2.gz SHUVLDYPQZZFIF-GOEBONIOSA-N 2 0 307.438 0.700 20 30 DCEDRP C=CCN1CC[C@H]([N@H+](C)CCCNC(=O)C[NH+]2CCCC2)C1=O ZINC001689887616 1177104003 /nfs/dbraw/zinc/10/40/03/1177104003.db2.gz JULNUKPXVZMEFS-HNNXBMFYSA-N 2 0 322.453 0.307 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001690436328 1177242202 /nfs/dbraw/zinc/24/22/02/1177242202.db2.gz MDBQYEGABFPKSL-MRXNPFEDSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001691924903 1177384504 /nfs/dbraw/zinc/38/45/04/1177384504.db2.gz MVVHDINLPCSNJY-HUUCEWRRSA-N 2 0 322.453 0.069 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)C[C@@H](C)O)C2)CC1 ZINC001691997528 1177399671 /nfs/dbraw/zinc/39/96/71/1177399671.db2.gz DMYBFVVOALLQFU-CVEARBPZSA-N 2 0 321.465 0.493 20 30 DCEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC#CCOC ZINC001699033843 1177781125 /nfs/dbraw/zinc/78/11/25/1177781125.db2.gz GMWQYXRTLFOVPR-HZPDHXFCSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001699131743 1177883589 /nfs/dbraw/zinc/88/35/89/1177883589.db2.gz QSGMNKYJJLWGFJ-ZIAGYGMSSA-N 2 0 324.469 0.503 20 30 DCEDRP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001699906428 1178362607 /nfs/dbraw/zinc/36/26/07/1178362607.db2.gz KGXKDGITCSCZTC-DOTOQJQBSA-N 2 0 307.438 0.436 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001699970996 1178401599 /nfs/dbraw/zinc/40/15/99/1178401599.db2.gz DSKBSQWKIQHTQK-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP N#CCNC1CC[NH+](CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001699991896 1178410491 /nfs/dbraw/zinc/41/04/91/1178410491.db2.gz AQWKRUJIUUJGCW-UHFFFAOYSA-N 2 0 319.453 0.309 20 30 DCEDRP C=CCC[NH2+]C1CCN(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001699995295 1178413880 /nfs/dbraw/zinc/41/38/80/1178413880.db2.gz LDPFAIZKCZZYHT-UHFFFAOYSA-N 2 0 320.481 0.829 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001700301365 1178571893 /nfs/dbraw/zinc/57/18/93/1178571893.db2.gz LYPNZRRBGRWZOB-CHWSQXEVSA-N 2 0 302.378 0.090 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001700753037 1178730943 /nfs/dbraw/zinc/73/09/43/1178730943.db2.gz SIGSJDNTJOCSSU-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001700853413 1178779225 /nfs/dbraw/zinc/77/92/25/1178779225.db2.gz HSJUYQMMYBLUKP-DOTOQJQBSA-N 2 0 301.434 0.934 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001713173448 1180707944 /nfs/dbraw/zinc/70/79/44/1180707944.db2.gz XJTAEKVLFWCBGM-QBPKDAKJSA-N 2 0 321.465 0.993 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001713685156 1181014539 /nfs/dbraw/zinc/01/45/39/1181014539.db2.gz YIUYYNLLIDIEDI-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCCC[N@@H+]1CCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001714480884 1181386649 /nfs/dbraw/zinc/38/66/49/1181386649.db2.gz BYFHQFHTFMVVSV-HNNXBMFYSA-N 2 0 307.438 0.865 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001714719150 1181502715 /nfs/dbraw/zinc/50/27/15/1181502715.db2.gz ZSDHYVZXEGOURH-ZDUSSCGKSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCCOC)C2)CC1 ZINC001714982796 1181625992 /nfs/dbraw/zinc/62/59/92/1181625992.db2.gz USZJDIFCSUBAJG-UHFFFAOYSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@](C)(C[NH2+]CCCO)C2CC2)CC1 ZINC001715128174 1181696652 /nfs/dbraw/zinc/69/66/52/1181696652.db2.gz WCHODCTWYNHWET-GOSISDBHSA-N 2 0 321.465 0.589 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001716061705 1182169121 /nfs/dbraw/zinc/16/91/21/1182169121.db2.gz AMYQZQKIBUNATJ-NVXWUHKLSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001716061707 1182169497 /nfs/dbraw/zinc/16/94/97/1182169497.db2.gz AMYQZQKIBUNATJ-WBVHZDCISA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001716407822 1182378265 /nfs/dbraw/zinc/37/82/65/1182378265.db2.gz ANFISZRYKHUHBA-MCIONIFRSA-N 2 0 310.442 0.256 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001716454748 1182395372 /nfs/dbraw/zinc/39/53/72/1182395372.db2.gz IHWUONBNYZJTQI-JKSUJKDBSA-N 2 0 309.454 0.995 20 30 DCEDRP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001717253901 1182751788 /nfs/dbraw/zinc/75/17/88/1182751788.db2.gz IJBRSBBDOLXDAO-MRXNPFEDSA-N 2 0 309.454 0.990 20 30 DCEDRP C=C(C)C[NH2+][C@H](CO)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001717780210 1182997161 /nfs/dbraw/zinc/99/71/61/1182997161.db2.gz FFKANKRTSUPGGJ-INIZCTEOSA-N 2 0 309.454 0.751 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001717924301 1183063662 /nfs/dbraw/zinc/06/36/62/1183063662.db2.gz GWXFSCODHRDSMN-HOTGVXAUSA-N 2 0 309.454 0.541 20 30 DCEDRP C=C(C)CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001717942763 1183082288 /nfs/dbraw/zinc/08/22/88/1183082288.db2.gz CCHWSYARLVMWKM-OAHLLOKOSA-N 2 0 309.454 0.800 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001725004909 1184653810 /nfs/dbraw/zinc/65/38/10/1184653810.db2.gz ZTNBBFCVFXCSKJ-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001725722090 1184972506 /nfs/dbraw/zinc/97/25/06/1184972506.db2.gz QQSVTPXGVCHCFF-JYJNAYRXSA-N 2 0 309.454 0.491 20 30 DCEDRP C=C(Cl)C[NH2+]CCOCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001725803799 1185000297 /nfs/dbraw/zinc/00/02/97/1185000297.db2.gz HELCHSYEVXTDNB-CYBMUJFWSA-N 2 0 303.834 0.755 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001731603081 1185408133 /nfs/dbraw/zinc/40/81/33/1185408133.db2.gz YJIRICFAJKQPOT-HNNXBMFYSA-N 2 0 307.438 0.607 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001731946855 1185598981 /nfs/dbraw/zinc/59/89/81/1185598981.db2.gz OPIBWDSZHHFTEJ-HUUCEWRRSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001732164031 1185715285 /nfs/dbraw/zinc/71/52/85/1185715285.db2.gz XPAZRXAFVVQPEK-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCCC1 ZINC001732398053 1185798985 /nfs/dbraw/zinc/79/89/85/1185798985.db2.gz FIGMRAGAFBFCEN-INIZCTEOSA-N 2 0 321.465 0.997 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001732455093 1185824559 /nfs/dbraw/zinc/82/45/59/1185824559.db2.gz SOCPMUQMRHWLHC-KBPBESRZSA-N 2 0 310.442 0.209 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001733334190 1186231085 /nfs/dbraw/zinc/23/10/85/1186231085.db2.gz QNDPDFUHFRCTKI-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001733493270 1186302600 /nfs/dbraw/zinc/30/26/00/1186302600.db2.gz RCACRFOUYFINBR-RDJZCZTQSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)CCC[NH+]2CCCC2)CCOCC1 ZINC001733834334 1186468451 /nfs/dbraw/zinc/46/84/51/1186468451.db2.gz YVSCCMMLLHNUAY-UHFFFAOYSA-N 2 0 307.438 0.751 20 30 DCEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001734482087 1186663527 /nfs/dbraw/zinc/66/35/27/1186663527.db2.gz HWYFUWIAJQTMDJ-HOCLYGCPSA-N 2 0 317.437 0.566 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001734512041 1186669316 /nfs/dbraw/zinc/66/93/16/1186669316.db2.gz VEJVWYLUDWJCDG-NWDGAFQWSA-N 2 0 305.344 0.798 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001734523887 1186676517 /nfs/dbraw/zinc/67/65/17/1186676517.db2.gz ZOSNVMSECMSXPP-JKSUJKDBSA-N 2 0 309.454 0.539 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001734523886 1186676812 /nfs/dbraw/zinc/67/68/12/1186676812.db2.gz ZOSNVMSECMSXPP-HZPDHXFCSA-N 2 0 309.454 0.539 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001752462969 1188424596 /nfs/dbraw/zinc/42/45/96/1188424596.db2.gz JCUNGKLUGFOEDO-BPLDGKMQSA-N 2 0 322.453 0.113 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001752943915 1188465768 /nfs/dbraw/zinc/46/57/68/1188465768.db2.gz QLQKGSDOENFQJT-HNNXBMFYSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CC[N@H+]1CC[C@H](CCNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001753340164 1188567671 /nfs/dbraw/zinc/56/76/71/1188567671.db2.gz ZAMPSWVHIKABLC-CVEARBPZSA-N 2 0 307.438 0.416 20 30 DCEDRP C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001753345065 1188570219 /nfs/dbraw/zinc/57/02/19/1188570219.db2.gz CEMNZUYYSNNPKX-CABCVRRESA-N 2 0 322.453 0.163 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001753585665 1188620877 /nfs/dbraw/zinc/62/08/77/1188620877.db2.gz MPXNGHJGOCLNGM-KKUMJFAQSA-N 2 0 324.469 0.646 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@@H](C)[NH2+]CCO)C2)CC1 ZINC001753800975 1188656649 /nfs/dbraw/zinc/65/66/49/1188656649.db2.gz HYVHGLJLMLZHAI-NVXWUHKLSA-N 2 0 321.465 0.541 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001754620746 1188891631 /nfs/dbraw/zinc/89/16/31/1188891631.db2.gz ZFVJXCZLAQNLMU-CABCVRRESA-N 2 0 322.453 0.211 20 30 DCEDRP C#CC[NH+]1CC[C@@](O)(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001754755577 1188922445 /nfs/dbraw/zinc/92/24/45/1188922445.db2.gz AFFNZLIQBYWZFR-GOSISDBHSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CC[NH+]1CC[C@](O)(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001754755578 1188923222 /nfs/dbraw/zinc/92/32/22/1188923222.db2.gz AFFNZLIQBYWZFR-SFHVURJKSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1C ZINC001755109980 1189025486 /nfs/dbraw/zinc/02/54/86/1189025486.db2.gz FYURRLSHYCMVFE-JKSUJKDBSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001755182103 1189050116 /nfs/dbraw/zinc/05/01/16/1189050116.db2.gz HHQKDOQKTSFHTD-HOTGVXAUSA-N 2 0 321.465 0.826 20 30 DCEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001098572718 747448869 /nfs/dbraw/zinc/44/88/69/747448869.db2.gz XXYSWRAEYCLDIQ-UHFFFAOYSA-N 2 0 321.465 0.781 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CCC)C[C@@H]32)CC1 ZINC001083283714 747857059 /nfs/dbraw/zinc/85/70/59/747857059.db2.gz PFENSGFEASORSO-DLBZAZTESA-N 2 0 319.449 0.653 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001100827455 748139634 /nfs/dbraw/zinc/13/96/34/748139634.db2.gz GHZBCEKXVLEWCO-WLYUNCDWSA-N 2 0 324.469 0.503 20 30 DCEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001088427215 749436813 /nfs/dbraw/zinc/43/68/13/749436813.db2.gz PTXGYFFHASVVQG-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1C ZINC001105973958 750613191 /nfs/dbraw/zinc/61/31/91/750613191.db2.gz IANTUPTXPNKXNA-OAGGEKHMSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCCO[C@@H](C[NH2+]CC)C2)CC1 ZINC001078511658 753280171 /nfs/dbraw/zinc/28/01/71/753280171.db2.gz VVYWXSVPAUMNOE-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001046062994 753457671 /nfs/dbraw/zinc/45/76/71/753457671.db2.gz KEQVIEOQIREKHB-HOTGVXAUSA-N 2 0 308.470 0.731 20 30 DCEDRP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046075855 753468218 /nfs/dbraw/zinc/46/82/18/753468218.db2.gz GVOFSQATQCCXSO-DLBZAZTESA-N 2 0 318.465 0.180 20 30 DCEDRP C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001047505179 754341743 /nfs/dbraw/zinc/34/17/43/754341743.db2.gz CMIAQOLGHBRSTR-KBPBESRZSA-N 2 0 305.378 0.092 20 30 DCEDRP C#CCN1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001090257708 754469101 /nfs/dbraw/zinc/46/91/01/754469101.db2.gz AYCLTLPMCOXNDC-GJZGRUSLSA-N 2 0 307.438 0.436 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CCCO)C[C@@H]3C2)CC1 ZINC001049235105 755197217 /nfs/dbraw/zinc/19/72/17/755197217.db2.gz KXSRSKFRGCRTDA-CALCHBBNSA-N 2 0 319.449 0.104 20 30 DCEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001090356319 755668147 /nfs/dbraw/zinc/66/81/47/755668147.db2.gz VVOYMNYXKPVCGI-GJZGRUSLSA-N 2 0 307.438 0.600 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC001054656776 756601782 /nfs/dbraw/zinc/60/17/82/756601782.db2.gz PLPHWMCTPHUBLV-DZGCQCFKSA-N 2 0 305.426 0.681 20 30 DCEDRP C=CCCC(=O)NC1CC[NH+](CCNC(=O)CC[NH+](C)C)CC1 ZINC001055633475 756839286 /nfs/dbraw/zinc/83/92/86/756839286.db2.gz PEUMNEFGJNFSCZ-UHFFFAOYSA-N 2 0 324.469 0.601 20 30 DCEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC001090400757 758242791 /nfs/dbraw/zinc/24/27/91/758242791.db2.gz YCDOPGRLLBOOKW-JKSUJKDBSA-N 2 0 312.373 0.523 20 30 DCEDRP CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001098480216 762679545 /nfs/dbraw/zinc/67/95/45/762679545.db2.gz VEJWJEHJSPBERB-INIZCTEOSA-N 2 0 309.454 0.635 20 30 DCEDRP C=C(C)C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117587 759191624 /nfs/dbraw/zinc/19/16/24/759191624.db2.gz UQHLRAYNTXYEOC-DLBZAZTESA-N 2 0 320.481 0.733 20 30 DCEDRP C=CC[NH+](CCO)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001098391887 759218496 /nfs/dbraw/zinc/21/84/96/759218496.db2.gz JFCQYJXKCRKQAM-UHFFFAOYSA-N 2 0 309.454 0.942 20 30 DCEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001098399351 759574666 /nfs/dbraw/zinc/57/46/66/759574666.db2.gz LAFSSSAKIHGBPA-INIZCTEOSA-N 2 0 309.454 0.491 20 30 DCEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)CCc2cncn2C)[C@H](O)C1 ZINC001100094631 760246087 /nfs/dbraw/zinc/24/60/87/760246087.db2.gz PVPYJGDFLHOBQE-HUUCEWRRSA-N 2 0 306.410 0.480 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148216796 767939116 /nfs/dbraw/zinc/93/91/16/767939116.db2.gz RUWXGOBXKXEVNU-AWEZNQCLSA-N 2 0 322.453 0.163 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100124444 760438156 /nfs/dbraw/zinc/43/81/56/760438156.db2.gz IDTDMWYTOINXKR-CVEARBPZSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001070274213 761160135 /nfs/dbraw/zinc/16/01/35/761160135.db2.gz XHZUMFLACDHJDG-KFWWJZLASA-N 2 0 318.425 0.290 20 30 DCEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H](Cn1cccn1)N(C)C ZINC001129386544 761317241 /nfs/dbraw/zinc/31/72/41/761317241.db2.gz MTQDQNUMFJLECJ-LSDHHAIUSA-N 2 0 307.442 0.874 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129436030 762942353 /nfs/dbraw/zinc/94/23/53/762942353.db2.gz LKYGXEGHMAXXHF-INIZCTEOSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129535060 762959905 /nfs/dbraw/zinc/95/99/05/762959905.db2.gz IDMXUBQOBDPSLY-UHFFFAOYSA-N 2 0 322.453 0.377 20 30 DCEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130075159 763114864 /nfs/dbraw/zinc/11/48/64/763114864.db2.gz OZUOREQBNURGJL-CABCVRRESA-N 2 0 320.441 0.538 20 30 DCEDRP C=CCOCC[N@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100041593 763248859 /nfs/dbraw/zinc/24/88/59/763248859.db2.gz LKMCDCYKBLVCBC-CABCVRRESA-N 2 0 313.442 0.082 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[NH+](C)C)C1 ZINC001130417935 763302657 /nfs/dbraw/zinc/30/26/57/763302657.db2.gz LTFXORXCTGAELG-CQSZACIVSA-N 2 0 317.437 0.790 20 30 DCEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100114331 763323477 /nfs/dbraw/zinc/32/34/77/763323477.db2.gz LSXVXQMCNZHBIJ-HZPDHXFCSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100115671 763327568 /nfs/dbraw/zinc/32/75/68/763327568.db2.gz BHURPBIZSDIERS-DLBZAZTESA-N 2 0 321.465 0.827 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001090491121 763434005 /nfs/dbraw/zinc/43/40/05/763434005.db2.gz XMHCJPJRJXMQBN-CABCVRRESA-N 2 0 309.454 0.988 20 30 DCEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001100523035 763632531 /nfs/dbraw/zinc/63/25/31/763632531.db2.gz SHOCUAFLCCEGFH-KUNBBXKYSA-N 2 0 317.433 0.357 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131815568 764051912 /nfs/dbraw/zinc/05/19/12/764051912.db2.gz JHNZSIWYDJGHIZ-UHFFFAOYSA-N 2 0 324.469 0.649 20 30 DCEDRP C=CCOCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101460778 764102223 /nfs/dbraw/zinc/10/22/23/764102223.db2.gz XAXGGBDYWANXFX-NUJGCVRESA-N 2 0 321.465 0.921 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461473 764102979 /nfs/dbraw/zinc/10/29/79/764102979.db2.gz DIFZZENLZGAOGN-AEFFLSMTSA-N 2 0 319.449 0.512 20 30 DCEDRP C#CCC[NH+](CCO)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001098477802 764143135 /nfs/dbraw/zinc/14/31/35/764143135.db2.gz KLPUTVIIHWCUHH-INIZCTEOSA-N 2 0 321.465 0.637 20 30 DCEDRP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101819669 764349147 /nfs/dbraw/zinc/34/91/47/764349147.db2.gz PSQASEYKCFMECI-RBSFLKMASA-N 2 0 322.453 0.067 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001132283752 764351770 /nfs/dbraw/zinc/35/17/70/764351770.db2.gz HKZJKWUHOSUIHL-AWEZNQCLSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@@H](C[NH2+]CCO)C2)CC1 ZINC001133338043 764932827 /nfs/dbraw/zinc/93/28/27/764932827.db2.gz SDQZNLBKYYIJSG-RDJZCZTQSA-N 2 0 321.465 0.398 20 30 DCEDRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001133870882 765200429 /nfs/dbraw/zinc/20/04/29/765200429.db2.gz WNNHUWIYRUUDOX-XJKSGUPXSA-N 2 0 300.406 0.962 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001170757738 765575843 /nfs/dbraw/zinc/57/58/43/765575843.db2.gz ZUEAIDVGVQRSTO-UHFFFAOYSA-N 2 0 321.465 0.854 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134759337 765658365 /nfs/dbraw/zinc/65/83/65/765658365.db2.gz MHUXRXRAJCKUIF-HUUCEWRRSA-N 2 0 322.453 0.095 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134766257 765661250 /nfs/dbraw/zinc/66/12/50/765661250.db2.gz FTFRQHWTGKARSZ-GJZGRUSLSA-N 2 0 322.453 0.093 20 30 DCEDRP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124866660 768316984 /nfs/dbraw/zinc/31/69/84/768316984.db2.gz IINHFYDCAZPXHS-HUUCEWRRSA-N 2 0 324.469 0.600 20 30 DCEDRP COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298719 765873233 /nfs/dbraw/zinc/87/32/33/765873233.db2.gz OOTRVZVJUKUCCP-CABCVRRESA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135391206 765913349 /nfs/dbraw/zinc/91/33/49/765913349.db2.gz RDQSIFOOEGBKBX-GJZGRUSLSA-N 2 0 309.454 0.851 20 30 DCEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135651503 766023520 /nfs/dbraw/zinc/02/35/20/766023520.db2.gz LYTAGRGABQDNGP-CABCVRRESA-N 2 0 319.453 0.955 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135709812 766053930 /nfs/dbraw/zinc/05/39/30/766053930.db2.gz DXVSEXHXBIZJNB-AWEZNQCLSA-N 2 0 310.442 0.115 20 30 DCEDRP CN1CC[NH+](CCCCNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC001118571584 766361990 /nfs/dbraw/zinc/36/19/90/766361990.db2.gz FQZWTWUJJVQZRH-UHFFFAOYSA-N 2 0 306.454 0.133 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001090691979 766482119 /nfs/dbraw/zinc/48/21/19/766482119.db2.gz JEEJENAEHZHIEZ-IRXDYDNUSA-N 2 0 321.465 0.682 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCOC)CC1 ZINC001146612077 767488305 /nfs/dbraw/zinc/48/83/05/767488305.db2.gz PKJKXRZLJHHEPG-CABCVRRESA-N 2 0 309.454 0.851 20 30 DCEDRP CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC#CCOC)C2)[NH+](C)C ZINC001121799053 767637185 /nfs/dbraw/zinc/63/71/85/767637185.db2.gz ZLDDBVXTIFHQLT-HVEGKCCWSA-N 2 0 321.465 0.993 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001147747114 767840181 /nfs/dbraw/zinc/84/01/81/767840181.db2.gz BRNWCFLYSLUCGK-INIZCTEOSA-N 2 0 321.465 0.757 20 30 DCEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001171873631 769384781 /nfs/dbraw/zinc/38/47/81/769384781.db2.gz SHAYZRIOJFINPT-JBCIKUTRSA-N 2 0 319.449 0.747 20 30 DCEDRP N#Cc1cccc(Cl)c1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870909 769955073 /nfs/dbraw/zinc/95/50/73/769955073.db2.gz QKWGOASHDLQSSR-UHFFFAOYSA-N 2 0 321.856 0.796 20 30 DCEDRP Cc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1C#N ZINC001236310996 769992962 /nfs/dbraw/zinc/99/29/62/769992962.db2.gz OIJPEVKJIWXOTG-UHFFFAOYSA-N 2 0 317.437 0.483 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001176285733 770061368 /nfs/dbraw/zinc/06/13/68/770061368.db2.gz QAWBFUJCALKBIJ-OAHLLOKOSA-N 2 0 324.469 0.342 20 30 DCEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C ZINC001181897422 771366866 /nfs/dbraw/zinc/36/68/66/771366866.db2.gz XVVVDSZNOYFLPE-KCYZZUKISA-N 2 0 309.454 0.966 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158038087 771717515 /nfs/dbraw/zinc/71/75/15/771717515.db2.gz MUNRGTWYPQOEPD-HZPDHXFCSA-N 2 0 307.438 0.607 20 30 DCEDRP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)COCC[NH+](C)C)C12CCC2 ZINC001203615765 771906932 /nfs/dbraw/zinc/90/69/32/771906932.db2.gz QZXLWZUKCFQROE-HUUCEWRRSA-N 2 0 307.438 0.605 20 30 DCEDRP C=C1C[NH2+][C@](C)(C(=O)N2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)C1 ZINC001160812411 772114619 /nfs/dbraw/zinc/11/46/19/772114619.db2.gz PRYBVTUKSDQHKA-XOKHGSTOSA-N 2 0 321.421 0.296 20 30 DCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160973459 772145079 /nfs/dbraw/zinc/14/50/79/772145079.db2.gz VKSAFAYPBOUDBC-OLZOCXBDSA-N 2 0 308.332 0.623 20 30 DCEDRP C#CCC[NH+]1CCC(CNC(=O)C[NH+]2CCCC2)(COC)CC1 ZINC001162603917 772396351 /nfs/dbraw/zinc/39/63/51/772396351.db2.gz CTLXDVNCUNCVAZ-UHFFFAOYSA-N 2 0 321.465 0.950 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163232118 772485471 /nfs/dbraw/zinc/48/54/71/772485471.db2.gz NNBJBAZXJQWUAC-INIZCTEOSA-N 2 0 307.438 0.607 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001163820944 772577336 /nfs/dbraw/zinc/57/73/36/772577336.db2.gz JUVUEBSRMJJKGG-CQSZACIVSA-N 2 0 322.453 0.259 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190655185 772658622 /nfs/dbraw/zinc/65/86/22/772658622.db2.gz ONONMHMGAUMYDP-CVEARBPZSA-N 2 0 307.438 0.509 20 30 DCEDRP C#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001164597182 772686827 /nfs/dbraw/zinc/68/68/27/772686827.db2.gz XWEAFEORRFGCNY-LSDHHAIUSA-N 2 0 305.422 0.359 20 30 DCEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001190911227 772697862 /nfs/dbraw/zinc/69/78/62/772697862.db2.gz OEJSZPZEFURNBC-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001192190719 772882174 /nfs/dbraw/zinc/88/21/74/772882174.db2.gz RBIDHLRWSNBOJW-HZPDHXFCSA-N 2 0 309.454 0.755 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCOC)C2)CC1 ZINC001194247628 773168166 /nfs/dbraw/zinc/16/81/66/773168166.db2.gz YQCUISISNQKCCS-MRXNPFEDSA-N 2 0 307.438 0.511 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194294070 773178432 /nfs/dbraw/zinc/17/84/32/773178432.db2.gz JNGGHBYJOZRGIT-LSDHHAIUSA-N 2 0 324.469 0.550 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207705744 773277900 /nfs/dbraw/zinc/27/79/00/773277900.db2.gz IGPAKXUGDZKEJT-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208063829 773391109 /nfs/dbraw/zinc/39/11/09/773391109.db2.gz WUMMBQVZOGJAHT-IAGOWNOFSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001208066427 773393604 /nfs/dbraw/zinc/39/36/04/773393604.db2.gz YBRNODFYINBQDB-HNNXBMFYSA-N 2 0 317.437 0.662 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001208334975 773435752 /nfs/dbraw/zinc/43/57/52/773435752.db2.gz PBUKTIYLWZQITF-JKSUJKDBSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001208372794 773445298 /nfs/dbraw/zinc/44/52/98/773445298.db2.gz CPFINWUVBAMURT-HOCLYGCPSA-N 2 0 324.469 0.455 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001196498580 773610499 /nfs/dbraw/zinc/61/04/99/773610499.db2.gz DLJLOVOEQQQMRM-RRFJBIMHSA-N 2 0 306.410 0.962 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210674338 773728862 /nfs/dbraw/zinc/72/88/62/773728862.db2.gz SRCFUCPPBHJYOO-HOTGVXAUSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211284265 773789849 /nfs/dbraw/zinc/78/98/49/773789849.db2.gz KGYUPLGFOSOKLY-GJZGRUSLSA-N 2 0 324.469 0.598 20 30 DCEDRP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001213728756 773880023 /nfs/dbraw/zinc/88/00/23/773880023.db2.gz RLARCJCVNCNLGY-HUUCEWRRSA-N 2 0 323.437 0.100 20 30 DCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640859 774269998 /nfs/dbraw/zinc/26/99/98/774269998.db2.gz MOMKSNCDARYQRS-HNNXBMFYSA-N 2 0 310.361 0.408 20 30 DCEDRP C#CC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218879417 774319566 /nfs/dbraw/zinc/31/95/66/774319566.db2.gz CQCNZWZRCDDEIN-ZDUSSCGKSA-N 2 0 300.362 0.021 20 30 DCEDRP COc1ccc(C#N)cc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218979312 774340436 /nfs/dbraw/zinc/34/04/36/774340436.db2.gz KUEHYEBGFIGDFY-MLGOLLRUSA-N 2 0 300.362 0.704 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200529688 774362622 /nfs/dbraw/zinc/36/26/22/774362622.db2.gz XCOJEJRJHFZUPB-IAGOWNOFSA-N 2 0 319.449 0.559 20 30 DCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200528239 774362758 /nfs/dbraw/zinc/36/27/58/774362758.db2.gz IHIJZJVNQFCJSE-HOTGVXAUSA-N 2 0 307.438 0.721 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)CCCO1 ZINC001200626784 774379038 /nfs/dbraw/zinc/37/90/38/774379038.db2.gz BXCYLUDXEAMTRT-GJZGRUSLSA-N 2 0 313.417 0.507 20 30 DCEDRP C#Cc1ccc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc1F ZINC001219384058 774473199 /nfs/dbraw/zinc/47/31/99/774473199.db2.gz IBHDYYGTLSWNSB-OAHLLOKOSA-N 2 0 304.369 0.496 20 30 DCEDRP COCC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001201268049 774480984 /nfs/dbraw/zinc/48/09/84/774480984.db2.gz VXWGWQGTKUXMNE-INIZCTEOSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CCCO1 ZINC001201421922 774507513 /nfs/dbraw/zinc/50/75/13/774507513.db2.gz YBCFLFYKJWAUGK-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCCO1 ZINC001202140656 774605996 /nfs/dbraw/zinc/60/59/96/774605996.db2.gz DDRLCVBPUPECTD-MRXNPFEDSA-N 2 0 307.438 0.703 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001202496013 774724501 /nfs/dbraw/zinc/72/45/01/774724501.db2.gz MJSCQTDRCXHKCB-CQSZACIVSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCOCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001202504563 774770595 /nfs/dbraw/zinc/77/05/95/774770595.db2.gz UPASTQZZHIFXMT-ZBFHGGJFSA-N 2 0 309.454 0.967 20 30 DCEDRP COC(=O)n1ncc(C#N)c1NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220415761 774801699 /nfs/dbraw/zinc/80/16/99/774801699.db2.gz VYLZDFFYSXHENG-NSHDSACASA-N 2 0 322.369 0.367 20 30 DCEDRP C=CCCCCC[C@H]([NH3+])C(=O)NCCOCCOCC[NH3+] ZINC001220519349 774832750 /nfs/dbraw/zinc/83/27/50/774832750.db2.gz KYSOTIZDJGZUNU-AWEZNQCLSA-N 2 0 301.431 0.558 20 30 DCEDRP N#Cc1cccc2c1CC[C@H]2NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220596693 774859283 /nfs/dbraw/zinc/85/92/83/774859283.db2.gz FUVMDJOLSVBPIE-MZMPZRCHSA-N 2 0 310.401 0.861 20 30 DCEDRP N=C(NC(=O)C[NH2+]CCC[NH3+])c1ccc2cc(O)ccc2c1 ZINC001220633819 774871228 /nfs/dbraw/zinc/87/12/28/774871228.db2.gz ADZUOJKWKYPADR-UHFFFAOYSA-N 2 0 300.362 0.716 20 30 DCEDRP N#CC1(NC(=O)C[C@@H](O)C[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001220643579 774873796 /nfs/dbraw/zinc/87/37/96/774873796.db2.gz LBEDJNYATAYYMN-OAHLLOKOSA-N 2 0 316.405 0.371 20 30 DCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001114458907 774880058 /nfs/dbraw/zinc/88/00/58/774880058.db2.gz WGAHBIVJZRBICD-FICVDOATSA-N 2 0 305.422 0.024 20 30 DCEDRP C#CC[C@]1(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)CCC[NH2+]1 ZINC001220805681 774920907 /nfs/dbraw/zinc/92/09/07/774920907.db2.gz UVRIZTPQXXSAMB-DMDPSCGWSA-N 2 0 303.328 0.789 20 30 DCEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154349 775010177 /nfs/dbraw/zinc/01/01/77/775010177.db2.gz MNWBLTUSAACUDY-CVEARBPZSA-N 2 0 309.454 0.990 20 30 DCEDRP N#Cc1ccc([C@@H](C(=O)NCCCC[NH3+])N2CC[NH2+]CC2)cc1 ZINC001221348461 775076026 /nfs/dbraw/zinc/07/60/26/775076026.db2.gz IRZTWVSTIZUTGT-INIZCTEOSA-N 2 0 315.421 0.360 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222443534 775353139 /nfs/dbraw/zinc/35/31/39/775353139.db2.gz YMILSLDZMPBQCN-ZACQAIPSSA-N 2 0 319.449 0.653 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001229716960 776217306 /nfs/dbraw/zinc/21/73/06/776217306.db2.gz NASAFJMLZLLTEB-HZPDHXFCSA-N 2 0 319.449 0.749 20 30 DCEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC001041167706 777103910 /nfs/dbraw/zinc/10/39/10/777103910.db2.gz PUPQRBKKOFTLTL-WBVHZDCISA-N 2 0 305.422 0.265 20 30 DCEDRP C#CCC[NH+]1CCN(CCCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001266272018 939038403 /nfs/dbraw/zinc/03/84/03/939038403.db2.gz VILQNOBGOURMCN-UHFFFAOYSA-N 2 0 320.481 0.475 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266533611 939155010 /nfs/dbraw/zinc/15/50/10/939155010.db2.gz MYEFDNMKOZHVKU-KBPBESRZSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)C[C@H]2CC[C@@H](C)O2)CC1 ZINC001267232173 939397019 /nfs/dbraw/zinc/39/70/19/939397019.db2.gz BEPBYIFBPMOABH-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCN1C[C@@]2(CC[N@@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001273100979 945252472 /nfs/dbraw/zinc/25/24/72/945252472.db2.gz JSQCNHNKWCRHRY-SFHVURJKSA-N 2 0 319.449 0.655 20 30 DCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC001352849790 939535050 /nfs/dbraw/zinc/53/50/50/939535050.db2.gz MHGLVGXKEBYKSX-VWYCJHECSA-N 2 0 306.332 0.993 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCO)CC(C)C)CC1 ZINC001496302047 939583308 /nfs/dbraw/zinc/58/33/08/939583308.db2.gz VZMOFSDLHJNGLS-MRXNPFEDSA-N 2 0 309.454 0.444 20 30 DCEDRP C=CCOCC[NH+]1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001267694992 939629061 /nfs/dbraw/zinc/62/90/61/939629061.db2.gz WHGNTQUMRDNEDZ-UHFFFAOYSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001481247691 939669875 /nfs/dbraw/zinc/66/98/75/939669875.db2.gz SZCFXBFMJWGAQI-ZIAGYGMSSA-N 2 0 310.442 0.209 20 30 DCEDRP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC#CCOC ZINC001267805598 939686273 /nfs/dbraw/zinc/68/62/73/939686273.db2.gz QZBSOOVHMKPMHV-HOTGVXAUSA-N 2 0 309.454 0.993 20 30 DCEDRP C#CC[NH2+]CCC1CCN(C(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001267921813 939705656 /nfs/dbraw/zinc/70/56/56/939705656.db2.gz RXCGCPSMNYDKLQ-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CCC[C@@H](C)O)CC1 ZINC001481319754 939746228 /nfs/dbraw/zinc/74/62/28/939746228.db2.gz MOAJBXMMKFLKAI-OAHLLOKOSA-N 2 0 309.454 0.541 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@@H+](C[C@H](C)O)C2)CC1 ZINC001481461802 939875593 /nfs/dbraw/zinc/87/55/93/939875593.db2.gz IXOMVWBTCWZCCQ-JKSUJKDBSA-N 2 0 321.465 0.541 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH]cn1 ZINC001268283117 940018408 /nfs/dbraw/zinc/01/84/08/940018408.db2.gz YHIDOBXCLISHKJ-GOEBONIOSA-N 2 0 318.421 0.867 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001268307535 940046707 /nfs/dbraw/zinc/04/67/07/940046707.db2.gz HGGNUZSSEBZNGC-HZPDHXFCSA-N 2 0 307.438 0.483 20 30 DCEDRP C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001268329418 940062441 /nfs/dbraw/zinc/06/24/41/940062441.db2.gz UAJYOXOWGCZUNW-JKSUJKDBSA-N 2 0 303.406 0.379 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001482055792 940236531 /nfs/dbraw/zinc/23/65/31/940236531.db2.gz FPELQRFQZNLOMQ-OAHLLOKOSA-N 2 0 317.437 0.662 20 30 DCEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+]C[C@@H](O)C[NH+](CC)CC ZINC001245998973 945309810 /nfs/dbraw/zinc/30/98/10/945309810.db2.gz IBEXETMKHPMRTM-CABCVRRESA-N 2 0 315.458 0.506 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C2(CNC(=O)[C@@H]3CCC[N@H+]3C)CC2)C1=O ZINC001269388132 940697634 /nfs/dbraw/zinc/69/76/34/940697634.db2.gz GOHGLVGUBDVGQY-KBPBESRZSA-N 2 0 320.437 0.106 20 30 DCEDRP C#CCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001271956069 941491609 /nfs/dbraw/zinc/49/16/09/941491609.db2.gz ATSUAJYEFAISHC-WMZOPIPTSA-N 2 0 321.465 0.826 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCCO)CC1 ZINC001482697280 941625569 /nfs/dbraw/zinc/62/55/69/941625569.db2.gz LITGIHVUGRZGFK-SJORKVTESA-N 2 0 321.465 0.589 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001272565808 942828378 /nfs/dbraw/zinc/82/83/78/942828378.db2.gz OZUDRIZOPKIGNR-IAGOWNOFSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[N@@H+]1C[C@@H]2C[C@H]1C[C@@H](NC(=O)C1CC[NH+](CC#C)CC1)C2 ZINC001047209448 942912878 /nfs/dbraw/zinc/91/28/78/942912878.db2.gz WCLUEANVWOFYRO-SZMVWBNQSA-N 2 0 313.445 0.934 20 30 DCEDRP C#CCN(C(=O)C[N@H+](C)C1CCC1)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001483985272 943071554 /nfs/dbraw/zinc/07/15/54/943071554.db2.gz QPGJRRDNLIWPAE-OAHLLOKOSA-N 2 0 321.465 0.778 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(NCC#N)CC1 ZINC001484419596 943363230 /nfs/dbraw/zinc/36/32/30/943363230.db2.gz YNUWCQZXGWDASM-INIZCTEOSA-N 2 0 321.469 0.555 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001484619452 943480229 /nfs/dbraw/zinc/48/02/29/943480229.db2.gz YHXDBZFNUUTTPY-OAHLLOKOSA-N 2 0 322.453 0.048 20 30 DCEDRP COCC#CC[N@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001484758815 943561161 /nfs/dbraw/zinc/56/11/61/943561161.db2.gz LNKJDLIOMUPGPW-MRXNPFEDSA-N 2 0 309.454 0.758 20 30 DCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001484841511 943590390 /nfs/dbraw/zinc/59/03/90/943590390.db2.gz OMVSREPWPNOIJN-UXLLHSPISA-N 2 0 309.454 0.846 20 30 DCEDRP C#CCN1CC[NH+](CCCCCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001485010180 943652373 /nfs/dbraw/zinc/65/23/73/943652373.db2.gz UWAFGJYTQQWFRZ-QGZVFWFLSA-N 2 0 320.481 0.618 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001485203684 943754033 /nfs/dbraw/zinc/75/40/33/943754033.db2.gz DPMMEPGIULPDCC-HOTGVXAUSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCOCC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001485580280 944013776 /nfs/dbraw/zinc/01/37/76/944013776.db2.gz FMKYWOJTWYIVRY-GJZGRUSLSA-N 2 0 309.454 0.967 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001491549009 944115312 /nfs/dbraw/zinc/11/53/12/944115312.db2.gz UOPMGKVLRDBOKJ-LSDHHAIUSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001486133477 944587694 /nfs/dbraw/zinc/58/76/94/944587694.db2.gz COCKVOPZNQHBRL-ZIAGYGMSSA-N 2 0 310.442 0.208 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001486317234 944763036 /nfs/dbraw/zinc/76/30/36/944763036.db2.gz GIZVPNRXQKGNMW-IRXDYDNUSA-N 2 0 323.481 0.929 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317113410 944803138 /nfs/dbraw/zinc/80/31/38/944803138.db2.gz OAXJSTFACLNJAA-MCIONIFRSA-N 2 0 322.453 0.398 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2cnoc2C)CC1 ZINC001317293483 944903014 /nfs/dbraw/zinc/90/30/14/944903014.db2.gz GQANAEBEDUNVGX-CYBMUJFWSA-N 2 0 318.421 0.923 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001317321427 944923108 /nfs/dbraw/zinc/92/31/08/944923108.db2.gz FYUCZNUVIVSQCT-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001317406241 944957967 /nfs/dbraw/zinc/95/79/67/944957967.db2.gz AIGUXJPSCIZWEQ-OAHLLOKOSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CCOCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001277818580 944992464 /nfs/dbraw/zinc/99/24/64/944992464.db2.gz BDQHLOYSANFJOE-GDBMZVCRSA-N 2 0 309.454 0.967 20 30 DCEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246768493 945487036 /nfs/dbraw/zinc/48/70/36/945487036.db2.gz OSUACTBFHNRBGY-SOLBZPMBSA-N 2 0 321.465 0.907 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001319512274 945606680 /nfs/dbraw/zinc/60/66/80/945606680.db2.gz SYMZZAWKXJVEQK-HNNXBMFYSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001319922048 945694410 /nfs/dbraw/zinc/69/44/10/945694410.db2.gz KGTIMDIKOLRKOZ-JKSUJKDBSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001320451262 945885311 /nfs/dbraw/zinc/88/53/11/945885311.db2.gz WFEQWHQEIPKXTG-CVEARBPZSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCO[C@@H]1CCN(CC(O)C[N@@H+]2CC[C@@H](OCC=C)C2)C1 ZINC001320859832 946043859 /nfs/dbraw/zinc/04/38/59/946043859.db2.gz XTEPNLOMLPUGKM-IAGOWNOFSA-N 2 0 310.438 0.901 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001273261127 946337165 /nfs/dbraw/zinc/33/71/65/946337165.db2.gz PTQXTRUAVIWCQH-JKSUJKDBSA-N 2 0 305.422 0.169 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)CCO1 ZINC001273316636 946495250 /nfs/dbraw/zinc/49/52/50/946495250.db2.gz UJBXJIMYFNEHHW-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)CCO1 ZINC001273316638 946496576 /nfs/dbraw/zinc/49/65/76/946496576.db2.gz UJBXJIMYFNEHHW-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC001278889564 946554162 /nfs/dbraw/zinc/55/41/62/946554162.db2.gz YSOAPRKHROGEDA-INIZCTEOSA-N 2 0 309.454 0.491 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)CCn1ccnc1)C1CC1 ZINC001323050652 946912617 /nfs/dbraw/zinc/91/26/17/946912617.db2.gz JJUCOPAFIDBHLB-OAHLLOKOSA-N 2 0 304.394 0.407 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001323111632 946937580 /nfs/dbraw/zinc/93/75/80/946937580.db2.gz COKSCGJPQJIKQH-QGZVFWFLSA-N 2 0 321.465 0.997 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC001280626747 947490649 /nfs/dbraw/zinc/49/06/49/947490649.db2.gz ADMCVZRPZKTHBK-JYJNAYRXSA-N 2 0 307.438 0.557 20 30 DCEDRP C=C(C)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001325160011 947686822 /nfs/dbraw/zinc/68/68/22/947686822.db2.gz IVUSYOYPFGMESV-DOTOQJQBSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001325161012 947687879 /nfs/dbraw/zinc/68/78/79/947687879.db2.gz LGNDDHRAVRPXCY-WBVHZDCISA-N 2 0 309.454 0.846 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC#CCOC)C1 ZINC001325456316 947800368 /nfs/dbraw/zinc/80/03/68/947800368.db2.gz NWEKFKIAESVZNE-JKSUJKDBSA-N 2 0 309.454 0.805 20 30 DCEDRP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001327590953 948562849 /nfs/dbraw/zinc/56/28/49/948562849.db2.gz JCRPSSVPCHPIJN-QGZVFWFLSA-N 2 0 309.454 0.847 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001263857025 948784341 /nfs/dbraw/zinc/78/43/41/948784341.db2.gz JDJMPWLAPSQVQA-ZQDZILKHSA-N 2 0 322.453 0.256 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001263857023 948784412 /nfs/dbraw/zinc/78/44/12/948784412.db2.gz JDJMPWLAPSQVQA-TUVASFSCSA-N 2 0 322.453 0.256 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1OCC ZINC001263966257 948819009 /nfs/dbraw/zinc/81/90/09/948819009.db2.gz ALOOGHJQADTOPT-IXDOHACOSA-N 2 0 321.465 0.946 20 30 DCEDRP COCC#CC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001328875680 949161540 /nfs/dbraw/zinc/16/15/40/949161540.db2.gz JBWAMAOZEFTRLE-GPANFISMSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001488770621 949165905 /nfs/dbraw/zinc/16/59/05/949165905.db2.gz BXAFBMMHTVTUFJ-SOUVJXGZSA-N 2 0 322.453 0.115 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cnn(C)c1 ZINC001488982449 949406190 /nfs/dbraw/zinc/40/61/90/949406190.db2.gz WKQHEGKFNHDIPM-JKSUJKDBSA-N 2 0 319.453 0.830 20 30 DCEDRP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[NH+]2CCCC2)n1 ZINC001489079967 949475288 /nfs/dbraw/zinc/47/52/88/949475288.db2.gz BCCUDMFAVRRBHB-UHFFFAOYSA-N 2 0 305.382 0.170 20 30 DCEDRP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001330362687 950309467 /nfs/dbraw/zinc/30/94/67/950309467.db2.gz GHHYLRZTZORNII-FPCVCCKLSA-N 2 0 307.438 0.435 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001279116111 950518017 /nfs/dbraw/zinc/51/80/17/950518017.db2.gz YMYZYEAOVXQQKU-JKSUJKDBSA-N 2 0 321.465 0.805 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCCC[NH+]1CCOCC1)C2 ZINC001331321859 951074645 /nfs/dbraw/zinc/07/46/45/951074645.db2.gz CADRGVDPHCLGHL-ISXOHVOVSA-N 2 0 320.437 0.354 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCOC)[C@@H](C)C2)CC1 ZINC001281475636 951512577 /nfs/dbraw/zinc/51/25/77/951512577.db2.gz JPBWVUQFEJAAKQ-HOCLYGCPSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001332665220 951752788 /nfs/dbraw/zinc/75/27/88/951752788.db2.gz QWADRUVDISULNQ-INIZCTEOSA-N 2 0 309.454 0.493 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001280707014 951771549 /nfs/dbraw/zinc/77/15/49/951771549.db2.gz FSMRZUBPYMCDJD-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001332855509 951826103 /nfs/dbraw/zinc/82/61/03/951826103.db2.gz DCPGUAKYNQGXCU-KBPBESRZSA-N 2 0 324.469 0.197 20 30 DCEDRP CC#CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001274924292 951889162 /nfs/dbraw/zinc/88/91/62/951889162.db2.gz PLGXNURGPOYGSV-HNNXBMFYSA-N 2 0 307.438 0.437 20 30 DCEDRP C=C(C)CC[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001274923674 951889792 /nfs/dbraw/zinc/88/97/92/951889792.db2.gz JQRCJSWUHADIOO-OAHLLOKOSA-N 2 0 309.454 0.990 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001275258895 952033384 /nfs/dbraw/zinc/03/33/84/952033384.db2.gz LQUXUYMCZLRIRM-UONOGXRCSA-N 2 0 324.469 0.646 20 30 DCEDRP C#CC[NH2+]CC(=O)N[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC001340995368 953206230 /nfs/dbraw/zinc/20/62/30/953206230.db2.gz RHELINOCAFLRAF-HNNXBMFYSA-N 2 0 313.401 0.971 20 30 DCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[NH2+]CCN1C)C(C)C ZINC001341661529 953243401 /nfs/dbraw/zinc/24/34/01/953243401.db2.gz DBFAGKGJGXRXFY-CVEARBPZSA-N 2 0 308.470 0.705 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001282015020 953446199 /nfs/dbraw/zinc/44/61/99/953446199.db2.gz TUHNUCBQZQMUOY-UHFFFAOYSA-N 2 0 322.453 0.257 20 30 DCEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001366164981 953764217 /nfs/dbraw/zinc/76/42/17/953764217.db2.gz LTUDWMNPIQVRIB-FPMFFAJLSA-N 2 0 315.845 0.944 20 30 DCEDRP COCC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001283191912 954119566 /nfs/dbraw/zinc/11/95/66/954119566.db2.gz MDNIQILUXFZMAM-JKSUJKDBSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCO)C2)CC1 ZINC001284243563 954957247 /nfs/dbraw/zinc/95/72/47/954957247.db2.gz HMNWOBAEVVIHQK-GDBMZVCRSA-N 2 0 307.438 0.198 20 30 DCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1(C)C ZINC001284346671 955023506 /nfs/dbraw/zinc/02/35/06/955023506.db2.gz JMRLYQKAHBGTNE-JKSUJKDBSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480305701 955670819 /nfs/dbraw/zinc/67/08/19/955670819.db2.gz VNBMFSREAYUMHD-INIZCTEOSA-N 2 0 307.438 0.560 20 30 DCEDRP C[NH+]1CCN(C2CC[NH+](C[C@H](O)CC3(C#N)CC3)CC2)CC1 ZINC001414024969 957682164 /nfs/dbraw/zinc/68/21/64/957682164.db2.gz DYLDCNFSZNEXLF-MRXNPFEDSA-N 2 0 306.454 0.753 20 30 DCEDRP C#CCCN1CCO[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001495870334 959203405 /nfs/dbraw/zinc/20/34/05/959203405.db2.gz IVNLWDMNRYZHKC-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001491830890 959278473 /nfs/dbraw/zinc/27/84/73/959278473.db2.gz AYJZWTYZPFBHPG-UONOGXRCSA-N 2 0 310.442 0.067 20 30 DCEDRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(C#N)nc2)C[C@H]1C[NH+](C)C ZINC001362778758 959975985 /nfs/dbraw/zinc/97/59/85/959975985.db2.gz CPIBNOKBTKWIBW-HUUCEWRRSA-N 2 0 315.421 0.765 20 30 DCEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1OCC ZINC001316694687 960117850 /nfs/dbraw/zinc/11/78/50/960117850.db2.gz YDSQTKHPNWSVGG-BZUAXINKSA-N 2 0 309.454 0.967 20 30 DCEDRP CC1([NH+]2CCOCC2)CCC([NH2+][C@H]2CCCN(O)C2=O)CC1 ZINC001308843885 960184191 /nfs/dbraw/zinc/18/41/91/960184191.db2.gz OQHIZUBGTFJYCG-BBBYJDLNSA-N 2 0 311.426 0.990 20 30 DCEDRP C=CCC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001316744588 960299443 /nfs/dbraw/zinc/29/94/43/960299443.db2.gz RDERYDCUIYJKEB-HZPDHXFCSA-N 2 0 309.454 0.942 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001379884125 962212007 /nfs/dbraw/zinc/21/20/07/962212007.db2.gz XKXOPMFTGOGMKY-STQMWFEESA-N 2 0 303.834 0.490 20 30 DCEDRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cccc(C#N)c2)C1 ZINC001369381520 964861830 /nfs/dbraw/zinc/86/18/30/964861830.db2.gz KQQDBMRBMLJRMR-HOTGVXAUSA-N 2 0 316.405 0.077 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001369487823 965064881 /nfs/dbraw/zinc/06/48/81/965064881.db2.gz SIWOOLZFFCZOPZ-GFCCVEGCSA-N 2 0 303.834 0.490 20 30 DCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC001394577949 993856578 /nfs/dbraw/zinc/85/65/78/993856578.db2.gz KKTSKZRLBHYMEI-HZPDHXFCSA-N 2 0 316.405 0.219 20 30 DCEDRP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC001394649891 993966068 /nfs/dbraw/zinc/96/60/68/993966068.db2.gz WNMLMEWMNLIKFP-INIZCTEOSA-N 2 0 318.421 0.465 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001502835905 1016096305 /nfs/dbraw/zinc/09/63/05/1016096305.db2.gz DLGGBKKDCPOJSD-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001507511107 1016439654 /nfs/dbraw/zinc/43/96/54/1016439654.db2.gz ILGUPXPKIDGLIB-MRXNPFEDSA-N 2 0 309.454 0.539 20 30 DCEDRP C#CCC[N@H+]1CC=C(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001508228519 1016725922 /nfs/dbraw/zinc/72/59/22/1016725922.db2.gz HMBZEVYICFPSLU-MRXNPFEDSA-N 2 0 319.449 0.726 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001438987845 1006323398 /nfs/dbraw/zinc/32/33/98/1006323398.db2.gz ARPIMSSUHHNECW-STQMWFEESA-N 2 0 301.818 0.147 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC001439025926 1006382017 /nfs/dbraw/zinc/38/20/17/1006382017.db2.gz MFXRMEZEHDNKAG-OAHLLOKOSA-N 2 0 304.394 0.077 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1OCC ZINC001479536386 1017579931 /nfs/dbraw/zinc/57/99/31/1017579931.db2.gz INFDLIFNFXVBGU-QBPKDAKJSA-N 2 0 321.465 0.803 20 30 DCEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1OCC ZINC001479547389 1017581401 /nfs/dbraw/zinc/58/14/01/1017581401.db2.gz SMHUQQBUVXSHJE-ARFHVFGLSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CCO1 ZINC001506847947 1017609618 /nfs/dbraw/zinc/60/96/18/1017609618.db2.gz TXSSZNNCZJFIQS-RDJZCZTQSA-N 2 0 321.465 0.946 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001499935602 1018145612 /nfs/dbraw/zinc/14/56/12/1018145612.db2.gz IEIRGONIRVPKRG-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001480088231 1018192969 /nfs/dbraw/zinc/19/29/69/1018192969.db2.gz WDEZXQUKRMISBK-IRXDYDNUSA-N 2 0 321.465 0.758 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCOCC)C2)CC1 ZINC001500292288 1018391771 /nfs/dbraw/zinc/39/17/71/1018391771.db2.gz HPHRPAVFYOSGRF-SFHVURJKSA-N 2 0 321.465 0.949 20 30 DCEDRP CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC#CCOC)C1)[NH+](C)C ZINC001480303980 1018413071 /nfs/dbraw/zinc/41/30/71/1018413071.db2.gz VKLBPXDUPCTJNJ-JKSUJKDBSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCNC(=O)C[NH2+]C1CCC(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001480409386 1018505800 /nfs/dbraw/zinc/50/58/00/1018505800.db2.gz IOJQEEWAXWXCCO-UHFFFAOYSA-N 2 0 322.453 0.095 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001500689613 1018581919 /nfs/dbraw/zinc/58/19/19/1018581919.db2.gz NEXNXTCOIZXEAK-GOSISDBHSA-N 2 0 321.465 0.992 20 30 DCEDRP C[C@@H](C[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CN(C)CCO1 ZINC001498025443 1018590073 /nfs/dbraw/zinc/59/00/73/1018590073.db2.gz GYTGAZDXWBIRRT-BBRMVZONSA-N 2 0 316.405 0.483 20 30 DCEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001500763531 1018639909 /nfs/dbraw/zinc/63/99/09/1018639909.db2.gz VKHGTVHDIBTJEG-DOTOQJQBSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001498306484 1018929222 /nfs/dbraw/zinc/92/92/22/1018929222.db2.gz QMDOYOVBTJKNRM-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1CC#CCOC ZINC001493150943 1019145247 /nfs/dbraw/zinc/14/52/47/1019145247.db2.gz HCNJZARCCSEAGA-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP CC#CC[N@H+](C)CCN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001496708057 1019558865 /nfs/dbraw/zinc/55/88/65/1019558865.db2.gz UXRGKEVQVBNDMI-UHFFFAOYSA-N 2 0 305.426 0.472 20 30 DCEDRP C=CCC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001494100123 1019983175 /nfs/dbraw/zinc/98/31/75/1019983175.db2.gz ZPWXFBYDDUAOIJ-MRXNPFEDSA-N 2 0 308.470 0.733 20 30 DCEDRP CN(C)C(=O)CNC(=[NH+]C1CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262245925 238170997 /nfs/dbraw/zinc/17/09/97/238170997.db2.gz AWRKDFSGDUGBBV-AWEZNQCLSA-N 2 0 321.469 0.600 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000491251808 533103060 /nfs/dbraw/zinc/10/30/60/533103060.db2.gz CGJBGDSKQNOUBZ-MRXNPFEDSA-N 2 0 323.485 0.124 20 30 DCEDRP C[NH+](C)CCOc1ccc(C[NH2+]CCn2cnc(C#N)n2)cc1 ZINC000586782558 396665310 /nfs/dbraw/zinc/66/53/10/396665310.db2.gz GWJGSILQXYBJNZ-UHFFFAOYSA-N 2 0 314.393 0.880 20 30 DCEDRP C=CC[C@]1(C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)CCC[NH2+]1 ZINC000595957567 396696028 /nfs/dbraw/zinc/69/60/28/396696028.db2.gz VXSUDDQJKZTYID-SJLPKXTDSA-N 2 0 320.481 0.923 20 30 DCEDRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)C1 ZINC000592145128 397103642 /nfs/dbraw/zinc/10/36/42/397103642.db2.gz ODSFMTULQDMVQY-LSDHHAIUSA-N 2 0 307.442 0.246 20 30 DCEDRP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492884 397193389 /nfs/dbraw/zinc/19/33/89/397193389.db2.gz GIXRWRMGGNLDJC-ZIAGYGMSSA-N 2 0 308.426 0.710 20 30 DCEDRP Cn1cc(C#N)c(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000615253094 412285915 /nfs/dbraw/zinc/28/59/15/412285915.db2.gz TVDTZMFRUBNZEM-UHFFFAOYSA-N 2 0 307.402 0.249 20 30 DCEDRP C[C@H](C#N)S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000352409467 415164310 /nfs/dbraw/zinc/16/43/10/415164310.db2.gz ZXDIOSSFKQHYMO-CYBMUJFWSA-N 2 0 304.460 0.434 20 30 DCEDRP C=CCN1CC[C@@H]([NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C1=O ZINC000337150210 415917249 /nfs/dbraw/zinc/91/72/49/415917249.db2.gz IQSUUPKKPGRRJP-OAHLLOKOSA-N 2 0 322.453 0.163 20 30 DCEDRP C=CCNC(=O)[C@@H](C)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000134125929 415953110 /nfs/dbraw/zinc/95/31/10/415953110.db2.gz UFDVFOHRUQSJTH-CYBMUJFWSA-N 2 0 318.425 0.355 20 30 DCEDRP C[NH+]1CCC(O)(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329513399 416173080 /nfs/dbraw/zinc/17/30/80/416173080.db2.gz LLAWEGQUOZTGAZ-ZDUSSCGKSA-N 2 0 310.442 0.431 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000491396254 416598666 /nfs/dbraw/zinc/59/86/66/416598666.db2.gz XHJBMFVSHXZVMJ-UHFFFAOYSA-N 2 0 324.469 0.476 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC000490615599 416570764 /nfs/dbraw/zinc/57/07/64/416570764.db2.gz GJPZNBQBYXVEPS-UHFFFAOYSA-N 2 0 306.454 0.085 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000490739028 416572094 /nfs/dbraw/zinc/57/20/94/416572094.db2.gz AMWWNLJZWUUITL-MRXNPFEDSA-N 2 0 309.479 0.885 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000491819307 416632278 /nfs/dbraw/zinc/63/22/78/416632278.db2.gz SVCJHLYVHPTRCV-HNNXBMFYSA-N 2 0 310.442 0.088 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)CC1 ZINC000627386070 417388253 /nfs/dbraw/zinc/38/82/53/417388253.db2.gz DYYXSHXQNGPEQC-HNNXBMFYSA-N 2 0 322.453 0.209 20 30 DCEDRP C[C@@]12COC[C@H]1C[NH+](CC#CC[N@H+]1C[C@H]3COC[C@]3(C)C1)C2 ZINC000661702900 418357018 /nfs/dbraw/zinc/35/70/18/418357018.db2.gz IJBPAPKIXQSATJ-USTZCAOPSA-N 2 0 304.434 0.926 20 30 DCEDRP C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330175554 336120874 /nfs/dbraw/zinc/12/08/74/336120874.db2.gz JEJNORYNKATOMG-BZUAXINKSA-N 2 0 324.469 0.962 20 30 DCEDRP C[NH+]=C(NCC[NH+]1CCCC1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000179080338 526356716 /nfs/dbraw/zinc/35/67/16/526356716.db2.gz FGZBFXLBXJBYGU-MRXNPFEDSA-N 2 0 323.485 0.312 20 30 DCEDRP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N(C)Cc1cccn1C ZINC000261948686 526377270 /nfs/dbraw/zinc/37/72/70/526377270.db2.gz GQPYELZTTSYODI-HNNXBMFYSA-N 2 0 306.458 0.278 20 30 DCEDRP C[NH+]=C(NCc1nc(C)c(C)s1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000261985900 526415681 /nfs/dbraw/zinc/41/56/81/526415681.db2.gz OMNNWJOQAPPUAD-CYBMUJFWSA-N 2 0 322.482 0.425 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000364334945 526435677 /nfs/dbraw/zinc/43/56/77/526435677.db2.gz DHARWPLTODEBRV-HOTGVXAUSA-N 2 0 322.453 0.799 20 30 DCEDRP CC[NH+]1CCN(CCNC(=[NH2+])NCc2ccccc2OC)CC1 ZINC000170913388 529140350 /nfs/dbraw/zinc/14/03/50/529140350.db2.gz UCECRXAOCCYYBD-UHFFFAOYSA-N 2 0 319.453 0.737 20 30 DCEDRP CC1CC[NH+](CCNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000329388151 546047439 /nfs/dbraw/zinc/04/74/39/546047439.db2.gz TXUBAKQBBKEHOK-OAHLLOKOSA-N 2 0 311.474 0.468 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[NH+](CC)CC)CC1 ZINC000343002318 546127781 /nfs/dbraw/zinc/12/77/81/546127781.db2.gz BJFDFYQBIZNJRK-AWEZNQCLSA-N 2 0 324.469 0.600 20 30 DCEDRP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC000978643928 660579520 /nfs/dbraw/zinc/57/95/20/660579520.db2.gz YTTSJHJKJFHMIN-WCXIOVBPSA-N 2 0 321.465 0.966 20 30 DCEDRP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028037512 661094305 /nfs/dbraw/zinc/09/43/05/661094305.db2.gz ZITVLYAGHIPDKI-KRIMKBQASA-N 2 0 303.406 0.063 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)C[N@@H+](C)C1CCC1)CCO2 ZINC000949114602 661250826 /nfs/dbraw/zinc/25/08/26/661250826.db2.gz DLXJRCIPKODFKC-UHFFFAOYSA-N 2 0 319.449 0.797 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001028194994 661270209 /nfs/dbraw/zinc/27/02/09/661270209.db2.gz IGASIUVEBGDMKN-MRXNPFEDSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000970560011 657632555 /nfs/dbraw/zinc/63/25/55/657632555.db2.gz JEAFLCHTSBYWGH-AWEZNQCLSA-N 2 0 317.437 0.518 20 30 DCEDRP C#CCCN1CCO[C@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC000972552649 657764587 /nfs/dbraw/zinc/76/45/87/657764587.db2.gz QQPRDBGIQAFGBR-SJLPKXTDSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001023447078 657874905 /nfs/dbraw/zinc/87/49/05/657874905.db2.gz FIXMBKOBORANOX-GJZGRUSLSA-N 2 0 300.406 0.907 20 30 DCEDRP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972673926 658223690 /nfs/dbraw/zinc/22/36/90/658223690.db2.gz MCOPTAXXQQDRAK-RDJZCZTQSA-N 2 0 307.438 0.818 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)C1=O ZINC001021904676 658638866 /nfs/dbraw/zinc/63/88/66/658638866.db2.gz BPHLZGKCHJWRRH-XGUBFFRZSA-N 2 0 320.437 0.104 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)CC1 ZINC001029596547 662423581 /nfs/dbraw/zinc/42/35/81/662423581.db2.gz PJEFAVAKQLRADX-CALCHBBNSA-N 2 0 319.449 0.653 20 30 DCEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000985789031 662513312 /nfs/dbraw/zinc/51/33/12/662513312.db2.gz GQGJUJQJJVQXIV-HNNXBMFYSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000912583781 664188797 /nfs/dbraw/zinc/18/87/97/664188797.db2.gz FPZKHJLHWCNTJG-INIZCTEOSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033142089 666559541 /nfs/dbraw/zinc/55/95/41/666559541.db2.gz PYKGXVNQXQSILU-IAGOWNOFSA-N 2 0 319.449 0.796 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C[C@H](C)OC)C2)CC1 ZINC001033688976 666796860 /nfs/dbraw/zinc/79/68/60/666796860.db2.gz WBMCXEKDBWPKNR-DOTOQJQBSA-N 2 0 321.465 0.899 20 30 DCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001034654048 667091451 /nfs/dbraw/zinc/09/14/51/667091451.db2.gz WOLLSELWLHKNEH-YHUYYLMFSA-N 2 0 305.422 0.500 20 30 DCEDRP C=CCn1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nn1 ZINC000870017969 667698395 /nfs/dbraw/zinc/69/83/95/667698395.db2.gz VNAJOOBHDJDIDA-ZIAGYGMSSA-N 2 0 320.441 0.276 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000876772376 668507155 /nfs/dbraw/zinc/50/71/55/668507155.db2.gz BNVQBXWBOJBYRI-CHWSQXEVSA-N 2 0 301.818 0.637 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000876780040 668509789 /nfs/dbraw/zinc/50/97/89/668509789.db2.gz BGLFIELPWHFAFE-QWHCGFSZSA-N 2 0 302.850 0.599 20 30 DCEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000876802449 668513822 /nfs/dbraw/zinc/51/38/22/668513822.db2.gz OTAZOIVIGRQMIQ-MHEUCROKSA-N 2 0 318.808 0.871 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000877115760 668563728 /nfs/dbraw/zinc/56/37/28/668563728.db2.gz HGARHCXAFOHHGL-KRWDZBQOSA-N 2 0 319.449 0.607 20 30 DCEDRP CC[N@@H+]1CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)[C@H](C)C1 ZINC000772985500 668790639 /nfs/dbraw/zinc/79/06/39/668790639.db2.gz SFNAWNZKCSFNJW-MMEFHMBZSA-N 2 0 306.410 0.833 20 30 DCEDRP CC[N@@H+]1CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)[C@@H](C)C1 ZINC000772985492 668790710 /nfs/dbraw/zinc/79/07/10/668790710.db2.gz SFNAWNZKCSFNJW-CRQJOFGKSA-N 2 0 306.410 0.833 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H](C1CC1)[NH+](C)C)CCO2 ZINC000949115268 670262411 /nfs/dbraw/zinc/26/24/11/670262411.db2.gz XRYMEHAANPDTND-INIZCTEOSA-N 2 0 319.449 0.653 20 30 DCEDRP C#CCCN1CC(N(CC)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000952441885 670494197 /nfs/dbraw/zinc/49/41/97/670494197.db2.gz NLSKNLSJVNRJBT-UHFFFAOYSA-N 2 0 317.437 0.614 20 30 DCEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000848996260 670746947 /nfs/dbraw/zinc/74/69/47/670746947.db2.gz NICDQZOQLYZMOP-OAHLLOKOSA-N 2 0 311.474 0.214 20 30 DCEDRP C#CCOc1ccccc1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000819071840 671091761 /nfs/dbraw/zinc/09/17/61/671091761.db2.gz BJUKTMFGJAITKY-KRWDZBQOSA-N 2 0 317.433 0.397 20 30 DCEDRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)C1 ZINC000852873447 671182749 /nfs/dbraw/zinc/18/27/49/671182749.db2.gz VPSXOKQEZIZOLA-KRWDZBQOSA-N 2 0 318.465 0.228 20 30 DCEDRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852891623 671188156 /nfs/dbraw/zinc/18/81/56/671188156.db2.gz UOSBRPUXFHMVKC-SJLPKXTDSA-N 2 0 319.449 0.734 20 30 DCEDRP CCOCCCNC(=[NH2+])NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000303769568 685206356 /nfs/dbraw/zinc/20/63/56/685206356.db2.gz BCLSAADQSSGEJS-ZIAGYGMSSA-N 2 0 300.447 0.817 20 30 DCEDRP CCOCCCNC(=[NH2+])NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000303788806 685207109 /nfs/dbraw/zinc/20/71/09/685207109.db2.gz USNITOIVAXKJTP-OAHLLOKOSA-N 2 0 313.490 0.589 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000303876871 685207408 /nfs/dbraw/zinc/20/74/08/685207408.db2.gz FBWSKWUXIIBXBE-HZPDHXFCSA-N 3 0 324.517 0.401 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958170937 687402883 /nfs/dbraw/zinc/40/28/83/687402883.db2.gz CLVSJNPGJBVYQL-CVEARBPZSA-N 2 0 321.465 0.847 20 30 DCEDRP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC000958215595 687447307 /nfs/dbraw/zinc/44/73/07/687447307.db2.gz XFOMJZVHJUKHFF-HZPDHXFCSA-N 2 0 321.465 0.990 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC000958345748 687567242 /nfs/dbraw/zinc/56/72/42/687567242.db2.gz RHIJWFKEVUTRGP-LSDHHAIUSA-N 2 0 321.421 0.940 20 30 DCEDRP C=CC[N@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001007360105 690668923 /nfs/dbraw/zinc/66/89/23/690668923.db2.gz LANOMDLLFSDYFZ-AWEZNQCLSA-N 2 0 305.426 0.825 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](C[C@H](C)OC)C2)CC1 ZINC001009631457 691078345 /nfs/dbraw/zinc/07/83/45/691078345.db2.gz YRIWZFDOEYUMNE-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1=O ZINC001019032149 693329449 /nfs/dbraw/zinc/32/94/49/693329449.db2.gz IOZBJFZEAPLCOO-SOUVJXGZSA-N 2 0 322.453 0.304 20 30 DCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC001072760773 694661097 /nfs/dbraw/zinc/66/10/97/694661097.db2.gz NEZXMJKSGFIZRM-JKSUJKDBSA-N 2 0 317.433 0.407 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](C)O)C[C@H]32)CC1 ZINC001076604432 695032272 /nfs/dbraw/zinc/03/22/72/695032272.db2.gz FHXZZHWXNLXORH-BHYGNILZSA-N 2 0 319.449 0.245 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001570415585 1162509457 /nfs/dbraw/zinc/50/94/57/1162509457.db2.gz ZFLLEQDBABUNKR-UHFFFAOYSA-N 2 0 307.438 0.437 20 30 DCEDRP CCN(CC#CCOC)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001691019955 1157402571 /nfs/dbraw/zinc/40/25/71/1157402571.db2.gz LZBMPHXORVWTET-INIZCTEOSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001672004041 1157405513 /nfs/dbraw/zinc/40/55/13/1157405513.db2.gz RLHFBZKMDNYWOH-WBVHZDCISA-N 2 0 307.438 0.437 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CC ZINC001670586909 1157466118 /nfs/dbraw/zinc/46/61/18/1157466118.db2.gz CIBDIUHLBISXKL-GJZGRUSLSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001691535454 1158316746 /nfs/dbraw/zinc/31/67/46/1158316746.db2.gz FNEQBXWPZBMQCA-HNNXBMFYSA-N 2 0 307.438 0.554 20 30 DCEDRP COCC#CC[N@H+]1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001755895916 1158323878 /nfs/dbraw/zinc/32/38/78/1158323878.db2.gz ABFFKWBYVANMDV-UHFFFAOYSA-N 2 0 317.433 0.480 20 30 DCEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001688553663 1158644187 /nfs/dbraw/zinc/64/41/87/1158644187.db2.gz ASQDMHBAIHGHIU-UONOGXRCSA-N 2 0 305.426 0.564 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001566839322 1160165216 /nfs/dbraw/zinc/16/52/16/1160165216.db2.gz VHSBMHWNRNTASA-ARILJUKYSA-N 2 0 322.453 0.254 20 30 DCEDRP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC#CCOC)C1)[NH+](C)C ZINC001566879251 1160175926 /nfs/dbraw/zinc/17/59/26/1160175926.db2.gz IPKRTQZYUDNJAO-JKSUJKDBSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001567137520 1160252975 /nfs/dbraw/zinc/25/29/75/1160252975.db2.gz OTOHEFONVGBEPO-GJZGRUSLSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001567137519 1160253636 /nfs/dbraw/zinc/25/36/36/1160253636.db2.gz OTOHEFONVGBEPO-CABCVRRESA-N 2 0 322.453 0.211 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001567142969 1160256070 /nfs/dbraw/zinc/25/60/70/1160256070.db2.gz GSNRMDNDLZZCRG-OAHLLOKOSA-N 2 0 317.437 0.520 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]C[C@H]2CC[C@H](C)O2)CC1 ZINC001567611542 1160440595 /nfs/dbraw/zinc/44/05/95/1160440595.db2.gz LNYYCEHVUZWYBE-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)CN1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001567920640 1160536037 /nfs/dbraw/zinc/53/60/37/1160536037.db2.gz IVMOEWPWCFIMMN-HNNXBMFYSA-N 2 0 322.453 0.163 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001568640760 1160718248 /nfs/dbraw/zinc/71/82/48/1160718248.db2.gz PGYGIPFEWSPJNZ-UONOGXRCSA-N 2 0 322.453 0.093 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001569074346 1160935122 /nfs/dbraw/zinc/93/51/22/1160935122.db2.gz RIPJSSCGJCREEV-LSDHHAIUSA-N 2 0 324.469 0.600 20 30 DCEDRP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001569693755 1161197296 /nfs/dbraw/zinc/19/72/96/1161197296.db2.gz KIKRYHYVRVQCBS-KRWDZBQOSA-N 2 0 307.438 0.560 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001569759057 1161229091 /nfs/dbraw/zinc/22/90/91/1161229091.db2.gz GQVNNVQLCHRVID-QGZVFWFLSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]CCO)C2)CC1 ZINC001569856268 1161286177 /nfs/dbraw/zinc/28/61/77/1161286177.db2.gz RZUIEAYMPJGEHV-ZBFHGGJFSA-N 2 0 307.438 0.008 20 30 DCEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCC(NCC#N)CC1 ZINC001569886450 1161295356 /nfs/dbraw/zinc/29/53/56/1161295356.db2.gz BANJDZJMOQUMMN-OAHLLOKOSA-N 2 0 307.442 0.164 20 30 DCEDRP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001570167365 1161469816 /nfs/dbraw/zinc/46/98/16/1161469816.db2.gz OFGGJNKWOQGFQS-KRWDZBQOSA-N 2 0 320.481 0.570 20 30 DCEDRP C#CCC[NH2+]CC1(NC(=O)C[N@H+]2CC[C@H](C)C2)CCOCC1 ZINC001570306161 1161556941 /nfs/dbraw/zinc/55/69/41/1161556941.db2.gz WWFBJGLXOBYADU-HNNXBMFYSA-N 2 0 307.438 0.607 20 30 DCEDRP C#CC[C@@]1(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)CCC[NH2+]1 ZINC001574517145 1163730611 /nfs/dbraw/zinc/73/06/11/1163730611.db2.gz LEJBJGQXUOTJIZ-SFHVURJKSA-N 2 0 318.465 0.372 20 30 DCEDRP C#CCN1CCN(C(=O)C[NH+]2CCC(C(C)(C)C[NH3+])CC2)CC1 ZINC001574673484 1163739245 /nfs/dbraw/zinc/73/92/45/1163739245.db2.gz LOCVVVSKFAKBLW-UHFFFAOYSA-N 2 0 320.481 0.461 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC001574674430 1163740217 /nfs/dbraw/zinc/74/02/17/1163740217.db2.gz YTLJVMJLZSPWKF-OCCSQVGLSA-N 2 0 308.426 0.496 20 30 DCEDRP CCC1([NH+]2CCC2)CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC001577230537 1164645150 /nfs/dbraw/zinc/64/51/50/1164645150.db2.gz OHEJUHXCSFWBCB-ZIAGYGMSSA-N 2 0 305.426 0.758 20 30 DCEDRP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(OC2C[NH2+]C2)CC1 ZINC001577669438 1164760643 /nfs/dbraw/zinc/76/06/43/1164760643.db2.gz SFYCYYZRPOISGQ-ZDUSSCGKSA-N 2 0 308.426 0.447 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001649450388 1173136652 /nfs/dbraw/zinc/13/66/52/1173136652.db2.gz NSUANLIHASAFPO-CABCVRRESA-N 2 0 322.453 0.045 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1OCC ZINC001656471430 1173865397 /nfs/dbraw/zinc/86/53/97/1173865397.db2.gz QTKAJFJLQYHOAZ-YYIAUSFCSA-N 2 0 321.465 0.803 20 30 DCEDRP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001656639156 1173870848 /nfs/dbraw/zinc/87/08/48/1173870848.db2.gz CLTKAAYUGZCFCH-CYBMUJFWSA-N 2 0 319.409 0.558 20 30 DCEDRP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001656784479 1173884594 /nfs/dbraw/zinc/88/45/94/1173884594.db2.gz RPKKWIXASNADJS-QGZVFWFLSA-N 2 0 321.465 0.781 20 30 DCEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001660794785 1174051275 /nfs/dbraw/zinc/05/12/75/1174051275.db2.gz UWLCNDKSYAIFAD-OAHLLOKOSA-N 2 0 307.438 0.511 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001661482359 1174130375 /nfs/dbraw/zinc/13/03/75/1174130375.db2.gz JRXBHTNIAUUZGN-QBPKDAKJSA-N 2 0 319.449 0.890 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001666913912 1174646616 /nfs/dbraw/zinc/64/66/16/1174646616.db2.gz LVBUBOOQRASSBT-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001666921932 1174647787 /nfs/dbraw/zinc/64/77/87/1174647787.db2.gz VDMCDQWGOSLVIU-UONOGXRCSA-N 2 0 322.453 0.045 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001667463354 1174683918 /nfs/dbraw/zinc/68/39/18/1174683918.db2.gz FXRGKHHKNJVCSJ-HNNXBMFYSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001667701582 1174702683 /nfs/dbraw/zinc/70/26/83/1174702683.db2.gz NJIPOLSHTBCODR-IRXDYDNUSA-N 2 0 321.465 0.899 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC[C@H]1CCOC1 ZINC001670127669 1174984091 /nfs/dbraw/zinc/98/40/91/1174984091.db2.gz KHDKLODMUUCWMB-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+]C[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CCCC1 ZINC001671564818 1175018198 /nfs/dbraw/zinc/01/81/98/1175018198.db2.gz YGJCTGCXHIVLMG-RDJZCZTQSA-N 2 0 321.465 0.853 20 30 DCEDRP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001672043982 1175069365 /nfs/dbraw/zinc/06/93/65/1175069365.db2.gz DZRRZMVSKCUICQ-QGZVFWFLSA-N 2 0 309.454 0.992 20 30 DCEDRP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@H+]2C)CCOCC1 ZINC001673739999 1175229872 /nfs/dbraw/zinc/22/98/72/1175229872.db2.gz NUMARMRGWHVDBG-HNNXBMFYSA-N 2 0 307.438 0.749 20 30 DCEDRP C#CC[NH2+]C1(C)CCN(C(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC001674002505 1175244819 /nfs/dbraw/zinc/24/48/19/1175244819.db2.gz XOKGGHUHVCOOSR-UHFFFAOYSA-N 2 0 301.434 0.936 20 30 DCEDRP C=C(C)C[NH2+]CC1(O)CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001674107180 1175254732 /nfs/dbraw/zinc/25/47/32/1175254732.db2.gz HOXKFFHXRCFFPI-KRWDZBQOSA-N 2 0 321.465 0.992 20 30 DCEDRP C=CC[NH+]1CCC(CO)(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001674330687 1175270394 /nfs/dbraw/zinc/27/03/94/1175270394.db2.gz ZDLNGUQDFOUUJM-UHFFFAOYSA-N 2 0 309.454 0.847 20 30 DCEDRP C=C(C)C[NH+]1CCC(CO)(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001674324390 1175270929 /nfs/dbraw/zinc/27/09/29/1175270929.db2.gz KXUBQCXAOBFQET-HNNXBMFYSA-N 2 0 309.454 0.847 20 30 DCEDRP C=CCOCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001675522812 1175368158 /nfs/dbraw/zinc/36/81/58/1175368158.db2.gz SJQOGADOPVHAAT-PHZGNYQRSA-N 2 0 321.465 0.967 20 30 DCEDRP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001675759575 1175390128 /nfs/dbraw/zinc/39/01/28/1175390128.db2.gz NGEPGTMZHSHHGC-SHTZXODSSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CCC[NH2+][C@H](CO)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001676560103 1175461172 /nfs/dbraw/zinc/46/11/72/1175461172.db2.gz OMSLGBGNXADGAC-HNNXBMFYSA-N 2 0 309.454 0.589 20 30 DCEDRP C=CCC[NH2+][C@@H](CO)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001676584214 1175463076 /nfs/dbraw/zinc/46/30/76/1175463076.db2.gz QZWPLKLBEIOKHM-CJNGLKHVSA-N 2 0 315.433 0.842 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001689267566 1176780411 /nfs/dbraw/zinc/78/04/11/1176780411.db2.gz MVQIPTNAHDDFCR-OAHLLOKOSA-N 2 0 324.469 0.601 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001690078254 1177164585 /nfs/dbraw/zinc/16/45/85/1177164585.db2.gz NPPDWTLVILCQGT-INIZCTEOSA-N 2 0 306.454 0.085 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCCO)C2)CC1 ZINC001690757587 1177319012 /nfs/dbraw/zinc/31/90/12/1177319012.db2.gz LXEPESQKNFCMBV-HNNXBMFYSA-N 2 0 307.438 0.152 20 30 DCEDRP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001692037092 1177407007 /nfs/dbraw/zinc/40/70/07/1177407007.db2.gz UCFFQBLEQHUOOG-DLBZAZTESA-N 2 0 321.465 0.800 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001698871294 1177701889 /nfs/dbraw/zinc/70/18/89/1177701889.db2.gz MIVYSMYKCDHRSW-HZPDHXFCSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001698901059 1177713063 /nfs/dbraw/zinc/71/30/63/1177713063.db2.gz LNJQSWUAYFCMJJ-HOTGVXAUSA-N 2 0 309.454 0.803 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001699011923 1177770770 /nfs/dbraw/zinc/77/07/70/1177770770.db2.gz ATZMVRZHPUKUKQ-HZPDHXFCSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699102253 1177857615 /nfs/dbraw/zinc/85/76/15/1177857615.db2.gz IXGPVMFPKQRGMH-GDBMZVCRSA-N 2 0 307.438 0.462 20 30 DCEDRP CC#CC[NH2+]CCN(CC)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001699182136 1177919415 /nfs/dbraw/zinc/91/94/15/1177919415.db2.gz WEDUBFVGNPGOCK-UHFFFAOYSA-N 2 0 305.426 0.520 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001699363420 1178101156 /nfs/dbraw/zinc/10/11/56/1178101156.db2.gz RENBMDSNBANGGQ-HZSPNIEDSA-N 2 0 310.442 0.113 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001699463862 1178150434 /nfs/dbraw/zinc/15/04/34/1178150434.db2.gz KYBXFDLCWMDQBN-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CC[C@](C)(C[NH2+]CC#CCOC)C1 ZINC001699854525 1178318638 /nfs/dbraw/zinc/31/86/38/1178318638.db2.gz SPGNDJGKTSYTCD-QGZVFWFLSA-N 2 0 309.454 0.806 20 30 DCEDRP C=CCCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001700231964 1178543186 /nfs/dbraw/zinc/54/31/86/1178543186.db2.gz KLBIWUXUTHWGMQ-WBVHZDCISA-N 2 0 309.454 0.990 20 30 DCEDRP C=C(C)CC[NH2+][C@@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001700243382 1178551109 /nfs/dbraw/zinc/55/11/09/1178551109.db2.gz UEDAVLAFQVANQP-SFHVURJKSA-N 2 0 321.465 0.992 20 30 DCEDRP C#CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001700609552 1178679058 /nfs/dbraw/zinc/67/90/58/1178679058.db2.gz DQGSUFCOFSFIPO-HOCLYGCPSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001701037167 1178893939 /nfs/dbraw/zinc/89/39/39/1178893939.db2.gz CBMQJBHHHQFYEA-AWEZNQCLSA-N 2 0 304.394 0.143 20 30 DCEDRP C=CC[NH+](CCO)[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001707213473 1180437148 /nfs/dbraw/zinc/43/71/48/1180437148.db2.gz PUAXWOPCPBRHQY-CVEARBPZSA-N 2 0 309.454 0.800 20 30 DCEDRP C=CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001713531509 1180904769 /nfs/dbraw/zinc/90/47/69/1180904769.db2.gz BHCSPBTZLIDRIA-OAHLLOKOSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CC[NH2+][C@@H](C)C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001713682944 1181015184 /nfs/dbraw/zinc/01/51/84/1181015184.db2.gz MGJSTVBOUPJICC-HNNXBMFYSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001713804661 1181080655 /nfs/dbraw/zinc/08/06/55/1181080655.db2.gz YQZVWCPCHXVFKA-UHFFFAOYSA-N 2 0 320.481 0.620 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC#CCOC)C1CC1 ZINC001713868161 1181121615 /nfs/dbraw/zinc/12/16/15/1181121615.db2.gz NRHDTAWARMGCMG-DLBZAZTESA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCCC1 ZINC001714139521 1181260022 /nfs/dbraw/zinc/26/00/22/1181260022.db2.gz QRDHWRMFAIOLHS-CQSZACIVSA-N 2 0 322.453 0.401 20 30 DCEDRP C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001714157333 1181266757 /nfs/dbraw/zinc/26/67/57/1181266757.db2.gz RUTSIOLGWBUMOE-HOTGVXAUSA-N 2 0 321.465 0.947 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001714304994 1181314172 /nfs/dbraw/zinc/31/41/72/1181314172.db2.gz JWYHVHAJMTVACU-CABCVRRESA-N 2 0 324.469 0.457 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001714307295 1181314646 /nfs/dbraw/zinc/31/46/46/1181314646.db2.gz WAXNEDIFFGQRRR-SHTZXODSSA-N 2 0 322.453 0.095 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001714917202 1181599552 /nfs/dbraw/zinc/59/95/52/1181599552.db2.gz DYQASEQRDLMDFV-QLFBSQMISA-N 2 0 322.453 0.045 20 30 DCEDRP CC[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC#CCOC ZINC001715061752 1181678357 /nfs/dbraw/zinc/67/83/57/1181678357.db2.gz CJYKFAHUWMOPAQ-INIZCTEOSA-N 2 0 321.465 0.997 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001715214122 1181718518 /nfs/dbraw/zinc/71/85/18/1181718518.db2.gz ZFVJXCZLAQNLMU-LSDHHAIUSA-N 2 0 322.453 0.211 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001715413822 1181807180 /nfs/dbraw/zinc/80/71/80/1181807180.db2.gz MWEHKIYVMJHZHO-HOTGVXAUSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001715491743 1181827605 /nfs/dbraw/zinc/82/76/05/1181827605.db2.gz UPQCMMCPJKZHGY-KGLIPLIRSA-N 2 0 310.442 0.113 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001715999143 1182138758 /nfs/dbraw/zinc/13/87/58/1182138758.db2.gz XIBFCYWCNUYCIT-LSDHHAIUSA-N 2 0 324.469 0.647 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001716224381 1182265317 /nfs/dbraw/zinc/26/53/17/1182265317.db2.gz DPWONVOYVACYCA-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001716329884 1182338052 /nfs/dbraw/zinc/33/80/52/1182338052.db2.gz KUFNZWPYMPGTEJ-ZYDHHDLOSA-N 2 0 320.437 0.130 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001716330248 1182338907 /nfs/dbraw/zinc/33/89/07/1182338907.db2.gz RTWVPTUSXFLXRC-HLMASZERSA-N 2 0 308.426 0.033 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CCC[C@@H](C)O)CC1 ZINC001716670478 1182488804 /nfs/dbraw/zinc/48/88/04/1182488804.db2.gz FRGPGZZSUCMWGU-NVXWUHKLSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[N@H+]1CC[C@@](O)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001716921244 1182576454 /nfs/dbraw/zinc/57/64/54/1182576454.db2.gz NJOYYYNIGZACGZ-QGZVFWFLSA-N 2 0 312.373 0.443 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CC[C@H](CC[NH2+]CC#CCOC)C1 ZINC001717105658 1182678958 /nfs/dbraw/zinc/67/89/58/1182678958.db2.gz YHBSTLKDDCIEPG-INIZCTEOSA-N 2 0 309.454 0.806 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001717185545 1182717620 /nfs/dbraw/zinc/71/76/20/1182717620.db2.gz CORNPFMDSCROSF-INIZCTEOSA-N 2 0 307.438 0.703 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001717984422 1183096395 /nfs/dbraw/zinc/09/63/95/1183096395.db2.gz XZAZHMIDNFQDQK-AWEZNQCLSA-N 2 0 324.469 0.457 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC#CCOC)CC[N@@H+]1C ZINC001723906719 1184361410 /nfs/dbraw/zinc/36/14/10/1184361410.db2.gz PUOFUYDTIMBNOW-YESZJQIVSA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1 ZINC001724355744 1184413159 /nfs/dbraw/zinc/41/31/59/1184413159.db2.gz MMZKHZQCFXCBSM-HUUCEWRRSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001724400796 1184429625 /nfs/dbraw/zinc/42/96/25/1184429625.db2.gz FHILFPRCHYGBFK-WBVHZDCISA-N 2 0 309.454 0.990 20 30 DCEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724410604 1184434304 /nfs/dbraw/zinc/43/43/04/1184434304.db2.gz IJADHBFHGHBMSY-KRWDZBQOSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001724428004 1184439929 /nfs/dbraw/zinc/43/99/29/1184439929.db2.gz SBXUMIQPSXXFHX-QGZVFWFLSA-N 2 0 309.454 0.992 20 30 DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001724907126 1184614172 /nfs/dbraw/zinc/61/41/72/1184614172.db2.gz UVUAWVHBPHIQFD-KRWDZBQOSA-N 2 0 319.449 0.581 20 30 DCEDRP C=CCC[NH+]1CCC(CO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001725020655 1184658342 /nfs/dbraw/zinc/65/83/42/1184658342.db2.gz DHJKPRDMNRDHGK-OAHLLOKOSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001725113956 1184688279 /nfs/dbraw/zinc/68/82/79/1184688279.db2.gz PAOQLXLHWIYZMB-KGLIPLIRSA-N 2 0 305.426 0.564 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001725170951 1184707107 /nfs/dbraw/zinc/70/71/07/1184707107.db2.gz MLWKLFVNAYTWHL-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001725310412 1184763724 /nfs/dbraw/zinc/76/37/24/1184763724.db2.gz WFCLKLNPJSBHJA-JONQDZQNSA-N 2 0 309.429 0.984 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001725364989 1184788327 /nfs/dbraw/zinc/78/83/27/1184788327.db2.gz SMEAODJGYSPJQZ-QAQDUYKDSA-N 2 0 321.465 0.853 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001725490432 1184843064 /nfs/dbraw/zinc/84/30/64/1184843064.db2.gz OBMPZJUOVFTIGQ-GDBMZVCRSA-N 2 0 307.438 0.415 20 30 DCEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001725529064 1184861045 /nfs/dbraw/zinc/86/10/45/1184861045.db2.gz BGJVXCVIICPXCJ-HZPDHXFCSA-N 2 0 321.465 0.731 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001731359804 1185292418 /nfs/dbraw/zinc/29/24/18/1185292418.db2.gz ZAHVEOSRXGUAOF-INIZCTEOSA-N 2 0 308.470 0.781 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001731424653 1185326140 /nfs/dbraw/zinc/32/61/40/1185326140.db2.gz JRUXSAXUACERQQ-DLBZAZTESA-N 2 0 321.465 0.758 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001731435385 1185331565 /nfs/dbraw/zinc/33/15/65/1185331565.db2.gz DQUBLWJWSLJMSU-KRWDZBQOSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001731574019 1185395216 /nfs/dbraw/zinc/39/52/16/1185395216.db2.gz XUMZDCULUCFQDU-QQFBHYJXSA-N 2 0 307.438 0.605 20 30 DCEDRP CCC[N@@H+](CC#CCOC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001731864846 1185537777 /nfs/dbraw/zinc/53/77/77/1185537777.db2.gz OYWNBAGRVDGEJJ-QGZVFWFLSA-N 2 0 321.465 0.806 20 30 DCEDRP CCC[N@@H+](CC#CCOC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001731864843 1185539116 /nfs/dbraw/zinc/53/91/16/1185539116.db2.gz OYWNBAGRVDGEJJ-KRWDZBQOSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N(C)CC[NH2+]CCC1CCOCC1 ZINC001731919855 1185574360 /nfs/dbraw/zinc/57/43/60/1185574360.db2.gz OJBGTPSMDCXHHD-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CCN1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001732128341 1185687839 /nfs/dbraw/zinc/68/78/39/1185687839.db2.gz FFNZYESGCGFPMG-IRXDYDNUSA-N 2 0 319.449 0.701 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001733330600 1186230010 /nfs/dbraw/zinc/23/00/10/1186230010.db2.gz WWNCQBGWLUIRLB-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001733443795 1186272715 /nfs/dbraw/zinc/27/27/15/1186272715.db2.gz UUZDRGOKPPLAQR-SFHVURJKSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001733482493 1186290648 /nfs/dbraw/zinc/29/06/48/1186290648.db2.gz JDZWCMXCFTXUNY-ZMSDIMECSA-N 2 0 309.454 0.846 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001733870302 1186481492 /nfs/dbraw/zinc/48/14/92/1186481492.db2.gz SUXBHGYLUCHFPA-UHFFFAOYSA-N 2 0 324.469 0.601 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001733913435 1186495898 /nfs/dbraw/zinc/49/58/98/1186495898.db2.gz QVIBTSWLTFOLQH-LSDHHAIUSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001733917991 1186497765 /nfs/dbraw/zinc/49/77/65/1186497765.db2.gz FCSLSXGQJJDANU-HZPDHXFCSA-N 2 0 321.465 0.683 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001734449119 1186656234 /nfs/dbraw/zinc/65/62/34/1186656234.db2.gz IRYUEHUOLVFWKY-IXDOHACOSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH+]1CCN(CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001752354741 1188416477 /nfs/dbraw/zinc/41/64/77/1188416477.db2.gz DAQASXFRVOYODK-QGZVFWFLSA-N 2 0 320.481 0.475 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001752947417 1188466593 /nfs/dbraw/zinc/46/65/93/1188466593.db2.gz DSLIKLQCHDAIQY-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001752983849 1188471202 /nfs/dbraw/zinc/47/12/02/1188471202.db2.gz PWGHLGCOVJAHPJ-JKSUJKDBSA-N 2 0 309.454 0.993 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001753628813 1188626950 /nfs/dbraw/zinc/62/69/50/1188626950.db2.gz FHSNJLRTVHHDTP-KGLIPLIRSA-N 2 0 324.469 0.361 20 30 DCEDRP C=CCOCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001753692154 1188642134 /nfs/dbraw/zinc/64/21/34/1188642134.db2.gz KLGUQGUDZUZAJD-HOCLYGCPSA-N 2 0 309.454 0.967 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001753828902 1188659752 /nfs/dbraw/zinc/65/97/52/1188659752.db2.gz GZSZFNZOPSSXLB-SJORKVTESA-N 2 0 321.465 0.708 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C)C1=O ZINC001754296370 1188812085 /nfs/dbraw/zinc/81/20/85/1188812085.db2.gz JNNNSINVCVLGIR-KBPBESRZSA-N 2 0 310.442 0.208 20 30 DCEDRP C#CCN(C(=O)C[NH+]1CCC(C)CC1)C1CC[NH+](CCO)CC1 ZINC001754641557 1188895887 /nfs/dbraw/zinc/89/58/87/1188895887.db2.gz FZDRJOAOVGYEBF-UHFFFAOYSA-N 2 0 321.465 0.637 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCCN1CCC([NH2+]C(C)C)CC1 ZINC001754849324 1188947617 /nfs/dbraw/zinc/94/76/17/1188947617.db2.gz PCBLQMLYLGHSMM-KRWDZBQOSA-N 2 0 320.481 0.663 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001755002005 1188992240 /nfs/dbraw/zinc/99/22/40/1188992240.db2.gz JFJIUGVULVLXTL-JKSUJKDBSA-N 2 0 305.422 0.169 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001755013506 1188996276 /nfs/dbraw/zinc/99/62/76/1188996276.db2.gz WNMPQQAMDHGCSF-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001755033833 1189002201 /nfs/dbraw/zinc/00/22/01/1189002201.db2.gz FYGQBYGZEAHJJJ-LSDHHAIUSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001755088319 1189019078 /nfs/dbraw/zinc/01/90/78/1189019078.db2.gz RNWLGNQRMUROKH-SJLPKXTDSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001755160073 1189041079 /nfs/dbraw/zinc/04/10/79/1189041079.db2.gz FGAOVFPPRYYYBF-CVEARBPZSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001755391159 1189100349 /nfs/dbraw/zinc/10/03/49/1189100349.db2.gz GTXRQNDXWJRIRY-CABCVRRESA-N 2 0 309.454 0.967 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC#CCOC)CC[N@@H+]1C ZINC001755587311 1189153089 /nfs/dbraw/zinc/15/30/89/1189153089.db2.gz AKBBXFYGQIBUBF-HRCADAONSA-N 2 0 309.454 0.803 20 30 DCEDRP CCC[N@H+](C)CC(=O)NC[C@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001755644644 1189173131 /nfs/dbraw/zinc/17/31/31/1189173131.db2.gz ASDAXSZQQMMKKB-QGZVFWFLSA-N 2 0 317.433 0.447 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC001755705082 1189190035 /nfs/dbraw/zinc/19/00/35/1189190035.db2.gz UMEWKFBEKPSTQJ-XYJFISCASA-N 2 0 319.449 0.701 20 30 DCEDRP C=CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@H]2C1 ZINC001083192530 746969541 /nfs/dbraw/zinc/96/95/41/746969541.db2.gz FKJDLXWSGNOCEB-HRCADAONSA-N 2 0 307.438 0.958 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001167258054 747041868 /nfs/dbraw/zinc/04/18/68/747041868.db2.gz PQIBULUEFXKKLH-AWEZNQCLSA-N 2 0 324.469 0.505 20 30 DCEDRP C#CCC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001098561029 747337079 /nfs/dbraw/zinc/33/70/79/747337079.db2.gz NLKSSWIOJUKHRM-OAHLLOKOSA-N 2 0 307.438 0.247 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001167608846 747426080 /nfs/dbraw/zinc/42/60/80/747426080.db2.gz JHTNOBZYZQEIFS-HNNXBMFYSA-N 2 0 324.469 0.649 20 30 DCEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001098570840 747435307 /nfs/dbraw/zinc/43/53/07/747435307.db2.gz IOWHIBARARYMCY-HOTGVXAUSA-N 2 0 321.465 0.778 20 30 DCEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)C[C@H]1C ZINC001105040082 748012642 /nfs/dbraw/zinc/01/26/42/748012642.db2.gz DNXFPGQDIBQKKI-OAGGEKHMSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CC[NH2+]C1CCC2(CC1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001105479034 749841991 /nfs/dbraw/zinc/84/19/91/749841991.db2.gz KLVCAGXMUGXLHX-UHFFFAOYSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001098462470 762050103 /nfs/dbraw/zinc/05/01/03/762050103.db2.gz WIQGDPUPJRALDV-UHFFFAOYSA-N 2 0 307.438 0.247 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCCC1 ZINC001115707883 752463157 /nfs/dbraw/zinc/46/31/57/752463157.db2.gz BLVHWSQMMCOSIN-UHFFFAOYSA-N 2 0 324.469 0.649 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCCC1 ZINC001115708068 752466446 /nfs/dbraw/zinc/46/64/46/752466446.db2.gz LWOFJQUDPQIWPH-UHFFFAOYSA-N 2 0 309.454 0.997 20 30 DCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001077777679 752520929 /nfs/dbraw/zinc/52/09/29/752520929.db2.gz WECNCRPHPXARKL-OWCLPIDISA-N 2 0 309.454 0.987 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001044802001 752882181 /nfs/dbraw/zinc/88/21/81/752882181.db2.gz YUSPBZIUVZIDJJ-CABCVRRESA-N 2 0 307.438 0.700 20 30 DCEDRP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001046009940 753412341 /nfs/dbraw/zinc/41/23/41/753412341.db2.gz GITTWRZBGMZWHL-IRXDYDNUSA-N 2 0 318.465 0.322 20 30 DCEDRP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC001046041259 753444324 /nfs/dbraw/zinc/44/43/24/753444324.db2.gz PKHQEWQIRSPLAX-IRXDYDNUSA-N 2 0 318.465 0.322 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081903 753472017 /nfs/dbraw/zinc/47/20/17/753472017.db2.gz LRLPFBFTIYOGBZ-DLBZAZTESA-N 2 0 318.465 0.180 20 30 DCEDRP C#CCC[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001046849406 753979704 /nfs/dbraw/zinc/97/97/04/753979704.db2.gz DUOPZVZNJJAFSS-SFHVURJKSA-N 2 0 301.434 0.936 20 30 DCEDRP C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001047401267 754247417 /nfs/dbraw/zinc/24/74/17/754247417.db2.gz JSHRNTFORMSEOY-PMPSAXMXSA-N 2 0 309.454 0.940 20 30 DCEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001047472400 754312006 /nfs/dbraw/zinc/31/20/06/754312006.db2.gz JXRSMLMIBUNYOJ-YESZJQIVSA-N 2 0 319.449 0.388 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001047525495 754359308 /nfs/dbraw/zinc/35/93/08/754359308.db2.gz MMVHOSUTDJXDFI-GJZGRUSLSA-N 2 0 309.454 0.798 20 30 DCEDRP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001047638123 754452813 /nfs/dbraw/zinc/45/28/13/754452813.db2.gz CLDJTDZAZVCOKB-PMPSAXMXSA-N 2 0 307.438 0.388 20 30 DCEDRP C=CC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001048891981 755001129 /nfs/dbraw/zinc/00/11/29/755001129.db2.gz ZKKQTEDOLLUICL-IYBDPMFKSA-N 2 0 321.465 0.921 20 30 DCEDRP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049215703 755187292 /nfs/dbraw/zinc/18/72/92/755187292.db2.gz JQDJDUPNDLYCHN-OAGGEKHMSA-N 2 0 307.438 0.531 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN(C)CCO1 ZINC001049391026 755247745 /nfs/dbraw/zinc/24/77/45/755247745.db2.gz FYTAXRHRAZNFDJ-OAGGEKHMSA-N 2 0 305.422 0.406 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](C)OC)C[C@H]2C)CC1 ZINC001080998192 756417958 /nfs/dbraw/zinc/41/79/58/756417958.db2.gz VYLHJJMIYBWAEE-HLLBOEOZSA-N 2 0 321.465 0.803 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(C)C)C[C@@H]2O)CC1 ZINC001084088051 757668262 /nfs/dbraw/zinc/66/82/62/757668262.db2.gz NSIVUWQAHYVIQZ-CVEARBPZSA-N 2 0 307.438 0.149 20 30 DCEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC001050525240 757795367 /nfs/dbraw/zinc/79/53/67/757795367.db2.gz DDRDDCPUPKUXHR-CVEARBPZSA-N 2 0 319.449 0.960 20 30 DCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)CC1 ZINC001050755499 758029037 /nfs/dbraw/zinc/02/90/37/758029037.db2.gz CVKMUAXHIWATIN-MRXNPFEDSA-N 2 0 319.449 0.512 20 30 DCEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001090400748 758242667 /nfs/dbraw/zinc/24/26/67/758242667.db2.gz YCDOPGRLLBOOKW-CVEARBPZSA-N 2 0 312.373 0.523 20 30 DCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001085359430 758832124 /nfs/dbraw/zinc/83/21/24/758832124.db2.gz FIXYRHXTVPQXDO-HZPDHXFCSA-N 2 0 317.437 0.709 20 30 DCEDRP C=CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117599 759191491 /nfs/dbraw/zinc/19/14/91/759191491.db2.gz VAFIZHNFYVZKCC-DLBZAZTESA-N 2 0 320.481 0.733 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1C)C[C@@H](C)O2 ZINC001098570337 762692073 /nfs/dbraw/zinc/69/20/73/762692073.db2.gz HTBQINMXXBXYNU-HZPDHXFCSA-N 2 0 319.449 0.796 20 30 DCEDRP C=C(Br)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147842336 767859011 /nfs/dbraw/zinc/85/90/11/767859011.db2.gz SKBZKFXUPJDEIG-UHFFFAOYSA-N 2 0 308.220 0.179 20 30 DCEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001086091703 759705511 /nfs/dbraw/zinc/70/55/11/759705511.db2.gz KCDLGSACGPBMPV-XUWVNRHRSA-N 2 0 307.438 0.910 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)CC[N@@H+](C)CCC)C1=O ZINC001148573175 768019176 /nfs/dbraw/zinc/01/91/76/768019176.db2.gz QAPCNJIRCKXKCV-AWEZNQCLSA-N 2 0 310.442 0.211 20 30 DCEDRP C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449214 761422706 /nfs/dbraw/zinc/42/27/06/761422706.db2.gz KIGGYUBHHSNNRD-PMPSAXMXSA-N 2 0 319.449 0.700 20 30 DCEDRP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC001071241564 761733533 /nfs/dbraw/zinc/73/35/33/761733533.db2.gz WTSNZTNMXWBJEX-WBVHZDCISA-N 2 0 305.422 0.407 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130698604 763443389 /nfs/dbraw/zinc/44/33/89/763443389.db2.gz PGLVLKSGZGYINW-GOEBONIOSA-N 2 0 319.453 0.832 20 30 DCEDRP COCC#CC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001100426464 763571544 /nfs/dbraw/zinc/57/15/44/763571544.db2.gz JSJNQBWJHXRFEQ-GPANFISMSA-N 2 0 309.454 0.707 20 30 DCEDRP C#CC[NH+](CCO)C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001098478830 764361482 /nfs/dbraw/zinc/36/14/82/764361482.db2.gz FZUVKPMCRHEJKG-OAHLLOKOSA-N 2 0 307.438 0.389 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001133245347 764889341 /nfs/dbraw/zinc/88/93/41/764889341.db2.gz CXPYDANJYJBUQM-HOTGVXAUSA-N 2 0 309.454 0.662 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CCC ZINC001115151745 765609408 /nfs/dbraw/zinc/60/94/08/765609408.db2.gz LCFHACRGNKUSOA-NYTXWWLZSA-N 2 0 322.453 0.065 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134759000 765656716 /nfs/dbraw/zinc/65/67/16/765656716.db2.gz DYIQBEWSLBBANV-AWEZNQCLSA-N 2 0 310.442 0.257 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001090523430 765983412 /nfs/dbraw/zinc/98/34/12/765983412.db2.gz QNECRLUEHCBCGO-KGLIPLIRSA-N 2 0 307.394 0.692 20 30 DCEDRP COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939114 766178515 /nfs/dbraw/zinc/17/85/15/766178515.db2.gz UNPDMRZYBGGVTE-CABCVRRESA-N 2 0 307.438 0.605 20 30 DCEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090572644 766327014 /nfs/dbraw/zinc/32/70/14/766327014.db2.gz HIZXXIRDAUKOHS-LSDHHAIUSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)COCC[NH+](C)C)C2)C1 ZINC001122063966 767708989 /nfs/dbraw/zinc/70/89/89/767708989.db2.gz RDWUSENSLXEQMF-UHFFFAOYSA-N 2 0 307.438 0.605 20 30 DCEDRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC#CCOC ZINC001147359580 767724981 /nfs/dbraw/zinc/72/49/81/767724981.db2.gz SSSWSFZHWFQHLM-MRXNPFEDSA-N 2 0 309.454 0.997 20 30 DCEDRP COCC#CC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001122249201 767750697 /nfs/dbraw/zinc/75/06/97/767750697.db2.gz PDTDHAQSNGQRDH-UHFFFAOYSA-N 2 0 321.465 0.993 20 30 DCEDRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001151049440 769246395 /nfs/dbraw/zinc/24/63/95/769246395.db2.gz OUQPQHJWDBIVJU-ZDUSSCGKSA-N 2 0 304.369 0.855 20 30 DCEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001153424791 769814487 /nfs/dbraw/zinc/81/44/87/769814487.db2.gz PWXBYJZUSBWGFY-OAHLLOKOSA-N 2 0 319.453 0.908 20 30 DCEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001154385396 770165680 /nfs/dbraw/zinc/16/56/80/770165680.db2.gz IAMWEGNHZABGNJ-CTMQZQKCSA-N 2 0 319.449 0.700 20 30 DCEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001154396598 770168630 /nfs/dbraw/zinc/16/86/30/770168630.db2.gz MVRPZBCTJVUERU-HCEZTOJASA-N 2 0 307.438 0.862 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC[C@@H]2CCCO2)CC1 ZINC001176926430 770225504 /nfs/dbraw/zinc/22/55/04/770225504.db2.gz MDNIMWURTLFITF-KRWDZBQOSA-N 2 0 321.465 0.997 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C[C@H]2CC[C@H](C)O2)CC1 ZINC001176926862 770227439 /nfs/dbraw/zinc/22/74/39/770227439.db2.gz YEDFZRJEVPSCQF-DOTOQJQBSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]CCCO)CC1 ZINC001180360904 771105042 /nfs/dbraw/zinc/10/50/42/771105042.db2.gz POLGDFFWRYZFEY-UHFFFAOYSA-N 2 0 323.481 0.980 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001158411296 771769956 /nfs/dbraw/zinc/76/99/56/771769956.db2.gz BURRLUJDGKGSTE-SOUVJXGZSA-N 2 0 324.469 0.503 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001184433425 771787043 /nfs/dbraw/zinc/78/70/43/771787043.db2.gz IFLLJLSBANHPEA-DGNOSDGRSA-N 2 0 303.406 0.063 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001185675974 771947161 /nfs/dbraw/zinc/94/71/61/771947161.db2.gz FKKYBGTZNCSAAH-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC12CCOCC2 ZINC001186553480 772053965 /nfs/dbraw/zinc/05/39/65/772053965.db2.gz SLFZQMSAIDUNAF-MRXNPFEDSA-N 2 0 319.449 0.560 20 30 DCEDRP C#CC[N@H+]1CC=C(CCNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001161879412 772294137 /nfs/dbraw/zinc/29/41/37/772294137.db2.gz LFFIMOVOFACNDR-MRXNPFEDSA-N 2 0 319.449 0.726 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)C[C@H]2CC[N@H+](C)C2)(COC)CC1 ZINC001162576325 772393910 /nfs/dbraw/zinc/39/39/10/772393910.db2.gz CZSPHCBUHAHRDV-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)(COC)CC1 ZINC001162603960 772396189 /nfs/dbraw/zinc/39/61/89/772396189.db2.gz FEDHORXJUGEGPK-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001190776920 772676936 /nfs/dbraw/zinc/67/69/36/772676936.db2.gz RBIDHLRWSNBOJW-CVEARBPZSA-N 2 0 309.454 0.755 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C[N@H+]2CCC[C@H]2C)C1=O ZINC001166627064 772831160 /nfs/dbraw/zinc/83/11/60/772831160.db2.gz PALYLVTUWZJNQM-HUUCEWRRSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001192788013 772958384 /nfs/dbraw/zinc/95/83/84/772958384.db2.gz KICYTAFDKHTVCA-MRXNPFEDSA-N 2 0 317.437 0.614 20 30 DCEDRP C#CC[NH2+]CC1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC001205519747 772998208 /nfs/dbraw/zinc/99/82/08/772998208.db2.gz FDWZDKDRHTYPBH-UHFFFAOYSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001206979463 773155193 /nfs/dbraw/zinc/15/51/93/773155193.db2.gz XYSIIYITSKKUCM-DJIMGWMZSA-N 2 0 319.449 0.415 20 30 DCEDRP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206993321 773159149 /nfs/dbraw/zinc/15/91/49/773159149.db2.gz VUADCKDSVQMVFO-KLHDSHLOSA-N 2 0 309.454 0.966 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCOCC)C2)CC1 ZINC001194245486 773167522 /nfs/dbraw/zinc/16/75/22/773167522.db2.gz AYBGQBFCAKEBNU-QGZVFWFLSA-N 2 0 321.465 0.901 20 30 DCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207706143 773277550 /nfs/dbraw/zinc/27/75/50/773277550.db2.gz PTJIRZYTINAUNF-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001208639389 773508950 /nfs/dbraw/zinc/50/89/50/773508950.db2.gz QHUWJSBFSJFFHI-GARNVTTQSA-N 2 0 317.433 0.454 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001209632215 773627379 /nfs/dbraw/zinc/62/73/79/773627379.db2.gz LFAFLOITQGYYJF-LSDHHAIUSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210685802 773730958 /nfs/dbraw/zinc/73/09/58/773730958.db2.gz ZWBBUZQDLOJLTN-HNNXBMFYSA-N 2 0 307.438 0.865 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCOC)C2)CC1 ZINC001216837485 774141382 /nfs/dbraw/zinc/14/13/82/774141382.db2.gz FRYMNOFTCQBROD-NVXWUHKLSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001199827343 774219043 /nfs/dbraw/zinc/21/90/43/774219043.db2.gz VFWBQTMMEXUJAN-DZGCQCFKSA-N 2 0 322.453 0.352 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200527882 774361634 /nfs/dbraw/zinc/36/16/34/774361634.db2.gz BRZQJNJOEKEMBI-IRXDYDNUSA-N 2 0 319.449 0.559 20 30 DCEDRP COC(=O)c1cc(C#N)cc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c1 ZINC001219131938 774380525 /nfs/dbraw/zinc/38/05/25/774380525.db2.gz IZHZZQUWPIYDHF-ZDUSSCGKSA-N 2 0 304.350 0.740 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001201066232 774441662 /nfs/dbraw/zinc/44/16/62/774441662.db2.gz ITKZUDVMQYWJOR-UHFFFAOYSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001201239864 774469071 /nfs/dbraw/zinc/46/90/71/774469071.db2.gz OJBKIOBEMAPHFY-DZGCQCFKSA-N 2 0 324.469 0.598 20 30 DCEDRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])Cc2cccc(C#N)c2)C1 ZINC001219641966 774570463 /nfs/dbraw/zinc/57/04/63/774570463.db2.gz NHHMXULEZWKHAL-KCXAZCMYSA-N 2 0 300.406 0.790 20 30 DCEDRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)C1 ZINC001219645204 774571249 /nfs/dbraw/zinc/57/12/49/774571249.db2.gz JGIQWPWHGVCNOT-ZENOOKHLSA-N 2 0 300.406 0.790 20 30 DCEDRP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001114442831 774869953 /nfs/dbraw/zinc/86/99/53/774869953.db2.gz OWCNOKJBTZZGPJ-JJXSEGSLSA-N 2 0 309.454 0.822 20 30 DCEDRP N#CC1(NC(=O)C[C@H](O)C[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001220643578 774874086 /nfs/dbraw/zinc/87/40/86/774874086.db2.gz LBEDJNYATAYYMN-HNNXBMFYSA-N 2 0 316.405 0.371 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130041 775539334 /nfs/dbraw/zinc/53/93/34/775539334.db2.gz LZFFQEHZIGMFLS-IKGGRYGDSA-N 2 0 319.449 0.511 20 30 DCEDRP CC#CC[N@@H+](CCO)C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001098506288 775656010 /nfs/dbraw/zinc/65/60/10/775656010.db2.gz QVXMCQADFAWLKX-UHFFFAOYSA-N 2 0 309.454 0.637 20 30 DCEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001095784535 775668578 /nfs/dbraw/zinc/66/85/78/775668578.db2.gz XMCDKDUBMDDJDJ-TUBVSAOGSA-N 2 0 317.433 0.757 20 30 DCEDRP CC#CC[NH+]1CCC(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001225448450 775680141 /nfs/dbraw/zinc/68/01/41/775680141.db2.gz LBDPFKFYPMRPKX-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001230153118 776259443 /nfs/dbraw/zinc/25/94/43/776259443.db2.gz YDNQCVIWWNBERQ-GVDBMIGSSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCOCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317811585 945192407 /nfs/dbraw/zinc/19/24/07/945192407.db2.gz OVGSLNUZBQJFJQ-HZPDHXFCSA-N 2 0 309.454 0.969 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001282498506 939085382 /nfs/dbraw/zinc/08/53/82/939085382.db2.gz YJISQBBKGCQYQT-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1=O ZINC001266743593 939226033 /nfs/dbraw/zinc/22/60/33/939226033.db2.gz JRUMLKKPEUNULH-LSDHHAIUSA-N 2 0 322.453 0.306 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001266883958 939265510 /nfs/dbraw/zinc/26/55/10/939265510.db2.gz IHJFEHGHAFCVJF-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[N@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001493278893 939305969 /nfs/dbraw/zinc/30/59/69/939305969.db2.gz FPIAPLLGAQJPRD-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267056553 939325678 /nfs/dbraw/zinc/32/56/78/939325678.db2.gz YFROTVKDSPEZMG-HOTGVXAUSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001267310569 939421890 /nfs/dbraw/zinc/42/18/90/939421890.db2.gz YBGYNQOBQFDKGW-KRWDZBQOSA-N 2 0 321.465 0.950 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@@H+](C)CCOC)C2)CC1 ZINC001267595663 939537297 /nfs/dbraw/zinc/53/72/97/939537297.db2.gz JYEJGMKLDQXJBY-MRXNPFEDSA-N 2 0 321.465 0.758 20 30 DCEDRP CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC#CCOC)C1)[NH+](C)C ZINC001481489841 939900215 /nfs/dbraw/zinc/90/02/15/939900215.db2.gz ZZSBPMYTNOATEE-HZPDHXFCSA-N 2 0 309.454 0.757 20 30 DCEDRP C=CCCC[NH+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001271209162 941322423 /nfs/dbraw/zinc/32/24/23/941322423.db2.gz MDWLIZWWWCPICA-NVXWUHKLSA-N 2 0 309.454 0.847 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001271427461 941373385 /nfs/dbraw/zinc/37/33/85/941373385.db2.gz QMGOXVWZNBFQRS-RDJZCZTQSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001271518436 941394362 /nfs/dbraw/zinc/39/43/62/941394362.db2.gz HQNFKONLPIZULI-WBVHZDCISA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001272520335 942799891 /nfs/dbraw/zinc/79/98/91/942799891.db2.gz HGSODYBRZQIBCK-BBRMVZONSA-N 2 0 313.417 0.289 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001484042957 943112632 /nfs/dbraw/zinc/11/26/32/943112632.db2.gz CXDIANDTNWXJRG-FUHWJXTLSA-N 2 0 319.449 0.559 20 30 DCEDRP C=CCC[C@H](C)[NH+]1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001484293770 943299215 /nfs/dbraw/zinc/29/92/15/943299215.db2.gz QCZNLFJVMSISDA-AWEZNQCLSA-N 2 0 309.454 0.846 20 30 DCEDRP C=CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001484436099 943379748 /nfs/dbraw/zinc/37/97/48/943379748.db2.gz UHEYNCDKXPXPGX-RDJZCZTQSA-N 2 0 307.438 0.457 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001491266696 943881164 /nfs/dbraw/zinc/88/11/64/943881164.db2.gz ZBGXRSGRQBQQKV-MRXNPFEDSA-N 2 0 317.437 0.662 20 30 DCEDRP C=C(C)C[NH2+][C@H](C)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001276812769 944310254 /nfs/dbraw/zinc/31/02/54/944310254.db2.gz MBCYYGCWFGXMPN-CABCVRRESA-N 2 0 307.438 0.864 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001486130400 944584979 /nfs/dbraw/zinc/58/49/79/944584979.db2.gz RFMHKCHSFGYQPN-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001317300925 944909448 /nfs/dbraw/zinc/90/94/48/944909448.db2.gz LBXJTIROFOBDMI-GJZGRUSLSA-N 2 0 322.453 0.354 20 30 DCEDRP COC(=O)[C@@H]1C[C@@H]([NH+]=C(C)NCc2cccc(C[NH3+])c2)CN1 ZINC001246528468 945426959 /nfs/dbraw/zinc/42/69/59/945426959.db2.gz XMXJWEBDULSRID-CABCVRRESA-N 2 0 304.394 0.557 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)C2CC[NH+](CC#C)CC2)CCCC1 ZINC001319389365 945573970 /nfs/dbraw/zinc/57/39/70/945573970.db2.gz KWKZUUKQQWPEAK-UHFFFAOYSA-N 2 0 301.434 0.983 20 30 DCEDRP C#CCOC[C@H](O)C[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001251884821 945808740 /nfs/dbraw/zinc/80/87/40/945808740.db2.gz HWPSXNDYVYYPHY-QGZVFWFLSA-N 2 0 317.433 0.539 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]C[C@@H]2CCOC2)CC1 ZINC001320928341 946070848 /nfs/dbraw/zinc/07/08/48/946070848.db2.gz HKKGWGSTXJZYAH-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP CC(C)[NH+]1CCC([NH2+]CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001321070047 946152566 /nfs/dbraw/zinc/15/25/66/946152566.db2.gz JCBJKDBVWRCNPO-NXVVXOECSA-N 2 0 306.410 0.975 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CCO1 ZINC001273261970 946343359 /nfs/dbraw/zinc/34/33/59/946343359.db2.gz ZXLKWPIXRSIUKP-HOTGVXAUSA-N 2 0 307.438 0.700 20 30 DCEDRP C=C(C)CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001278786878 946400329 /nfs/dbraw/zinc/40/03/29/946400329.db2.gz KSOCTSPGZUIKTC-WBVHZDCISA-N 2 0 309.454 0.990 20 30 DCEDRP N#CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001261501527 947320663 /nfs/dbraw/zinc/32/06/63/947320663.db2.gz DPADCEGOULXRBH-HUUCEWRRSA-N 2 0 308.426 0.767 20 30 DCEDRP COCC#CC[NH+]1CCC(C)(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001324328803 947391693 /nfs/dbraw/zinc/39/16/93/947391693.db2.gz IBPBHHSSEINLEI-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C=C(C)CN1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001325232364 947720905 /nfs/dbraw/zinc/72/09/05/947720905.db2.gz IBTKEJATVGQIOK-OAHLLOKOSA-N 2 0 309.454 0.846 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([C@H](C)[NH2+]CC#CCOC)C1 ZINC001325456312 947800568 /nfs/dbraw/zinc/80/05/68/947800568.db2.gz NWEKFKIAESVZNE-HOTGVXAUSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001263099669 947807967 /nfs/dbraw/zinc/80/79/67/947807967.db2.gz QUJLMEHDNZHFEK-HUUCEWRRSA-N 2 0 324.469 0.729 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273753214 948067101 /nfs/dbraw/zinc/06/71/01/948067101.db2.gz SGXZESYWOVQIJJ-ZIAGYGMSSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001327603293 948567048 /nfs/dbraw/zinc/56/70/48/948567048.db2.gz LXRRIFYWDRQUTJ-NVXWUHKLSA-N 2 0 309.454 0.539 20 30 DCEDRP C=C[C@H](O)C[N@@H+]1CC[C@]2(CCN(CCn3ccnc3)C2=O)C1 ZINC001273885804 948654758 /nfs/dbraw/zinc/65/47/58/948654758.db2.gz SBDVGLQRYOLVQB-HOCLYGCPSA-N 2 0 304.394 0.354 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001328284094 948806514 /nfs/dbraw/zinc/80/65/14/948806514.db2.gz NYLUJCNSDCYILK-LSDHHAIUSA-N 2 0 324.469 0.598 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001264395382 948957721 /nfs/dbraw/zinc/95/77/21/948957721.db2.gz SEIRLQDGKKOHEO-OWCLPIDISA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001264404736 948961460 /nfs/dbraw/zinc/96/14/60/948961460.db2.gz KQCWHNWONALJKF-RWMBFGLXSA-N 2 0 319.409 0.127 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)COC)C1 ZINC001488834078 949296618 /nfs/dbraw/zinc/29/66/18/949296618.db2.gz FPIUQWSFGHRNAJ-FPCVCCKLSA-N 2 0 307.438 0.603 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCOCC)C2)CC1 ZINC001265235458 949478132 /nfs/dbraw/zinc/47/81/32/949478132.db2.gz PSXITCAIIJQFOA-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)[C@H](C)COC)CC1 ZINC001329625150 949726798 /nfs/dbraw/zinc/72/67/98/949726798.db2.gz VBOVMYQURCNUAR-LSDHHAIUSA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001265983023 950227032 /nfs/dbraw/zinc/22/70/32/950227032.db2.gz LKJIIOHEWRDXFJ-CQSZACIVSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CCC[NH2+]CCOCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001279423062 950567615 /nfs/dbraw/zinc/56/76/15/950567615.db2.gz QSRLAJOFFVNPFI-UHFFFAOYSA-N 2 0 321.465 0.950 20 30 DCEDRP C#CCC[NH2+][C@@H](CNC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001490721293 951032403 /nfs/dbraw/zinc/03/24/03/951032403.db2.gz BADHIHLZDMLSIA-INIZCTEOSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001281348765 951457376 /nfs/dbraw/zinc/45/73/76/951457376.db2.gz DYQASEQRDLMDFV-ZNMIVQPWSA-N 2 0 322.453 0.045 20 30 DCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001281460522 951509369 /nfs/dbraw/zinc/50/93/69/951509369.db2.gz ZSWHURMQUDZPCP-HUUCEWRRSA-N 2 0 307.438 0.721 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001274572762 951706642 /nfs/dbraw/zinc/70/66/42/951706642.db2.gz NNWRFGQNPQHGRN-UHFFFAOYSA-N 2 0 305.422 0.049 20 30 DCEDRP C=C[C@](C)(O)C[N@H+]1CCC[C@@]12CCN(Cc1cncn1C)C2=O ZINC001274617278 951744185 /nfs/dbraw/zinc/74/41/85/951744185.db2.gz WTVOQKLPRAZDPP-IRXDYDNUSA-N 2 0 318.421 0.924 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001274944051 951904577 /nfs/dbraw/zinc/90/45/77/951904577.db2.gz NWEHYJWVXKYXII-HUUCEWRRSA-N 2 0 324.469 0.646 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]C[C@H]2CCCCO2)CC1 ZINC001275460075 952163696 /nfs/dbraw/zinc/16/36/96/952163696.db2.gz ZBTBAPGCHGDIIJ-DOTOQJQBSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001275502773 952205285 /nfs/dbraw/zinc/20/52/85/952205285.db2.gz NYGVCAZTJVNIJU-ZIAGYGMSSA-N 2 0 324.469 0.503 20 30 DCEDRP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001275560666 952263062 /nfs/dbraw/zinc/26/30/62/952263062.db2.gz SDRKCBNJIRTTGH-CQSZACIVSA-N 2 0 305.426 0.518 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)[C@H](CC)C(N)=O)CC1 ZINC001275729039 952411478 /nfs/dbraw/zinc/41/14/78/952411478.db2.gz JKPOVHUIZQRCEX-UKRRQHHQSA-N 2 0 322.453 0.032 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001275828243 952484001 /nfs/dbraw/zinc/48/40/01/952484001.db2.gz VYHXDFFVABGFSL-HOTGVXAUSA-N 2 0 309.454 0.946 20 30 DCEDRP C#CC[NH2+]CC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001340240523 953156474 /nfs/dbraw/zinc/15/64/74/953156474.db2.gz JFVKDNFEVSPJGO-UHFFFAOYSA-N 2 0 307.438 0.608 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CC#CCOC)CC1 ZINC001282243538 953531371 /nfs/dbraw/zinc/53/13/71/953531371.db2.gz XHMBVJQCWHJVAK-HOTGVXAUSA-N 2 0 319.449 0.464 20 30 DCEDRP CC#CC[N@H+](C)[C@H](C)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001282392043 953566698 /nfs/dbraw/zinc/56/66/98/953566698.db2.gz UIEHDNWHDDSOTA-CQSZACIVSA-N 2 0 305.426 0.518 20 30 DCEDRP Cn1cc([C@@H]2CN(C(=O)[C@@H]([NH3+])CCCCC#N)C[C@H]2[NH3+])cn1 ZINC001346493260 953901866 /nfs/dbraw/zinc/90/18/66/953901866.db2.gz PLZZHCIYOVRXDA-MELADBBJSA-N 2 0 304.398 0.084 20 30 DCEDRP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001283191910 954119451 /nfs/dbraw/zinc/11/94/51/954119451.db2.gz MDNIQILUXFZMAM-HZPDHXFCSA-N 2 0 309.454 0.995 20 30 DCEDRP CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001283763261 954588746 /nfs/dbraw/zinc/58/87/46/954588746.db2.gz HDRBTUSJUXFWTD-GOEBONIOSA-N 2 0 307.438 0.483 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001283899670 954705454 /nfs/dbraw/zinc/70/54/54/954705454.db2.gz PJQQJCKJDQMHLF-LSDHHAIUSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001283897989 954706012 /nfs/dbraw/zinc/70/60/12/954706012.db2.gz HDCLSPYKFQTHBJ-GOEBONIOSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCOCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001284016065 954782529 /nfs/dbraw/zinc/78/25/29/954782529.db2.gz IABRJKPEKGRALA-CABCVRRESA-N 2 0 307.438 0.864 20 30 DCEDRP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001284492768 955127374 /nfs/dbraw/zinc/12/73/74/955127374.db2.gz MJPMLVUTNMCCCA-HZPDHXFCSA-N 2 0 309.454 0.655 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC001284614099 955202001 /nfs/dbraw/zinc/20/20/01/955202001.db2.gz MJRUBUFNBMZFBX-ZIAGYGMSSA-N 2 0 324.469 0.503 20 30 DCEDRP C[NH+]1CCC(O)(C[NH2+]CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC001356610240 956908312 /nfs/dbraw/zinc/90/83/12/956908312.db2.gz KQRYACBUDPSOCA-UHFFFAOYSA-N 2 0 316.405 0.933 20 30 DCEDRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2C#N)C1 ZINC001367626850 958216773 /nfs/dbraw/zinc/21/67/73/958216773.db2.gz QNWGYGNIYBFCND-CVEARBPZSA-N 2 0 316.405 0.077 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001502573348 1015979436 /nfs/dbraw/zinc/97/94/36/1015979436.db2.gz NFERXSUNWYAXDU-DOTOQJQBSA-N 2 0 307.438 0.437 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001502829943 1016091257 /nfs/dbraw/zinc/09/12/57/1016091257.db2.gz BDOCWIZBCMURGP-HZPDHXFCSA-N 2 0 321.465 0.947 20 30 DCEDRP C=C(C)C[NH2+]CC1(O)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001502883286 1016116160 /nfs/dbraw/zinc/11/61/60/1016116160.db2.gz FMERCDNMVLCXRJ-UHFFFAOYSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001505390305 1016207378 /nfs/dbraw/zinc/20/73/78/1016207378.db2.gz OIOIWFNAFOWRST-UHFFFAOYSA-N 2 0 307.438 0.295 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001507429033 1016320895 /nfs/dbraw/zinc/32/08/95/1016320895.db2.gz YUBDMZPGQBCSLP-CVEARBPZSA-N 2 0 307.438 0.607 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001441740765 1008483776 /nfs/dbraw/zinc/48/37/76/1008483776.db2.gz BEPDKJJHTROQJR-CQSZACIVSA-N 2 0 322.384 0.216 20 30 DCEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001442041716 1008854720 /nfs/dbraw/zinc/85/47/20/1008854720.db2.gz BMBPCJKQMIVUEG-AAEUAGOBSA-N 2 0 303.834 0.802 20 30 DCEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC001423187727 1010956453 /nfs/dbraw/zinc/95/64/53/1010956453.db2.gz FODIARMRNAEMRQ-HOTGVXAUSA-N 2 0 316.405 0.219 20 30 DCEDRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC001445271427 1011601707 /nfs/dbraw/zinc/60/17/07/1011601707.db2.gz RBUCIGVGPCFLAV-MRXNPFEDSA-N 2 0 318.421 0.465 20 30 DCEDRP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001479654689 1017632261 /nfs/dbraw/zinc/63/22/61/1017632261.db2.gz NPGLGFPHLFLITM-MRXNPFEDSA-N 2 0 319.449 0.533 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC#CCOC ZINC001497766212 1018399347 /nfs/dbraw/zinc/39/93/47/1018399347.db2.gz UKUXVMLGPMZIBF-JFDDCEBESA-N 2 0 307.438 0.773 20 30 DCEDRP C#CC[N@H+]1CCC[C@](C)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001500542955 1018486266 /nfs/dbraw/zinc/48/62/66/1018486266.db2.gz PAFOVFMSYHYZAV-GOSISDBHSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCOCC1 ZINC001500589967 1018502287 /nfs/dbraw/zinc/50/22/87/1018502287.db2.gz WMEAHGIOKQQNIU-HOTGVXAUSA-N 2 0 319.449 0.892 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001480624492 1018720353 /nfs/dbraw/zinc/72/03/53/1018720353.db2.gz APQJQEIBUZEAQY-GJZGRUSLSA-N 2 0 322.453 0.354 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001496921681 1019761331 /nfs/dbraw/zinc/76/13/31/1019761331.db2.gz AGOCKMHTXRMXSR-HOTGVXAUSA-N 2 0 309.454 0.851 20 30 DCEDRP CN1CC[NH+]=C1NCc1cccc(CNC2=[NH+]CCN2C)c1 ZINC000262646684 529778983 /nfs/dbraw/zinc/77/89/83/529778983.db2.gz JHGYNKIWCIMEEI-UHFFFAOYSA-N 2 0 300.410 0.469 20 30 DCEDRP C[NH+](CC#CC[N@H+](C)CCn1cccn1)CCn1cccn1 ZINC000276326093 529822884 /nfs/dbraw/zinc/82/28/84/529822884.db2.gz PUUFUZOYRJHLMZ-UHFFFAOYSA-N 2 0 300.410 0.647 20 30 DCEDRP C[N@H+]1CC=C(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000263137030 530047270 /nfs/dbraw/zinc/04/72/70/530047270.db2.gz INBKDSSFPUGWBQ-UHFFFAOYSA-N 2 0 315.425 0.175 20 30 DCEDRP C[NH+](C)CCNC(=O)c1cccc(CNC(=[NH2+])NC2CC2)c1 ZINC000264084601 238189556 /nfs/dbraw/zinc/18/95/56/238189556.db2.gz IQCDMSDWOLJNQF-UHFFFAOYSA-N 2 0 303.410 0.545 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)CC1 ZINC000491070823 533148279 /nfs/dbraw/zinc/14/82/79/533148279.db2.gz FYRLCNAOJVGTHR-MRXNPFEDSA-N 2 0 307.438 0.295 20 30 DCEDRP C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C(=O)NCC[NH+]1CCCCC1 ZINC000592283092 397141047 /nfs/dbraw/zinc/14/10/47/397141047.db2.gz BORZSGBGUYUEAG-KGLIPLIRSA-N 2 0 323.441 0.114 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621845655 397426225 /nfs/dbraw/zinc/42/62/25/397426225.db2.gz NERQEFMGXOXQKL-DYVFJYSZSA-N 2 0 320.437 0.093 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621845654 397426371 /nfs/dbraw/zinc/42/63/71/397426371.db2.gz NERQEFMGXOXQKL-CXAGYDPISA-N 2 0 320.437 0.093 20 30 DCEDRP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736834 397436183 /nfs/dbraw/zinc/43/61/83/397436183.db2.gz MUVQAWDDVMTROG-BFHYXJOUSA-N 2 0 324.425 0.217 20 30 DCEDRP C#CCNC(=O)CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000491202241 397501297 /nfs/dbraw/zinc/50/12/97/397501297.db2.gz NAAFPIGMGQLLFH-HOTGVXAUSA-N 2 0 306.454 0.084 20 30 DCEDRP CNC(NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)=[NH+]C ZINC000108638436 415681051 /nfs/dbraw/zinc/68/10/51/415681051.db2.gz HRAABKQGGQCYNW-HNNXBMFYSA-N 2 0 317.437 0.679 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000355310317 415859317 /nfs/dbraw/zinc/85/93/17/415859317.db2.gz DGLRRJCWIQOZBK-ZDUSSCGKSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)NCC2CC[NH+](CCO)CC2)CC1 ZINC000171907823 416041903 /nfs/dbraw/zinc/04/19/03/416041903.db2.gz YZSXXTODPUTMEY-UHFFFAOYSA-N 2 0 324.469 0.640 20 30 DCEDRP O=C(NCC[NH+]1CCC1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000328719153 416129119 /nfs/dbraw/zinc/12/91/19/416129119.db2.gz QBODAMYPJGYJGA-CVEARBPZSA-N 2 0 324.469 0.964 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182982204 416234126 /nfs/dbraw/zinc/23/41/26/416234126.db2.gz ZEUUQZFVQASNGU-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](Oc2ccncc2)C1 ZINC000347228923 416214907 /nfs/dbraw/zinc/21/49/07/416214907.db2.gz ZNWJXWFYBJSFFJ-GXTWGEPZSA-N 2 0 318.377 0.935 20 30 DCEDRP C[C@H](CC[NH+](C)C)NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000330853618 416244109 /nfs/dbraw/zinc/24/41/09/416244109.db2.gz OKJQCKWCCWRPDP-RDBSUJKOSA-N 2 0 300.447 0.628 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000342103717 416282423 /nfs/dbraw/zinc/28/24/23/416282423.db2.gz JMWYNFJHBUIGSO-CYBMUJFWSA-N 2 0 322.453 0.352 20 30 DCEDRP C=CCNC(=O)NC(=O)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420367843 416418342 /nfs/dbraw/zinc/41/83/42/416418342.db2.gz ADWIZINNCVYZRA-UKRRQHHQSA-N 2 0 324.425 0.217 20 30 DCEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)C(C)C ZINC000419566540 416404064 /nfs/dbraw/zinc/40/40/64/416404064.db2.gz GQHVKUOMFCOIKO-CABCVRRESA-N 2 0 322.453 0.361 20 30 DCEDRP C#CCN1CCN(C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)CC1 ZINC000490741496 416574946 /nfs/dbraw/zinc/57/49/46/416574946.db2.gz SCYGREBNPXJFMA-UHFFFAOYSA-N 2 0 320.481 0.428 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000491683400 416615523 /nfs/dbraw/zinc/61/55/23/416615523.db2.gz YMIOCYJDIQHEHL-INIZCTEOSA-N 2 0 306.454 0.973 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000576874659 417644450 /nfs/dbraw/zinc/64/44/50/417644450.db2.gz ACRIYHDXNHQAFI-OLZOCXBDSA-N 2 0 310.442 0.385 20 30 DCEDRP C=CC[C@@]1(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CCC[NH2+]1 ZINC000662756231 417891668 /nfs/dbraw/zinc/89/16/68/417891668.db2.gz ILGVYDXRQHVGNJ-AEFFLSMTSA-N 2 0 320.481 0.923 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659449924 418099583 /nfs/dbraw/zinc/09/95/83/418099583.db2.gz BKFOXCNJXNCSOV-UHFFFAOYSA-N 2 0 320.397 0.091 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC000294202368 335119016 /nfs/dbraw/zinc/11/90/16/335119016.db2.gz VCCKWTIBQSSTBS-UHFFFAOYSA-N 2 0 303.410 0.728 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000491486878 333108573 /nfs/dbraw/zinc/10/85/73/333108573.db2.gz YSKXZDNRILDRND-UHFFFAOYSA-N 2 0 310.442 0.352 20 30 DCEDRP C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)C1=CC[NH+](C)CC1 ZINC000329814960 336085110 /nfs/dbraw/zinc/08/51/10/336085110.db2.gz DYJKJCFMMDMMRY-QLFBSQMISA-N 2 0 324.469 0.938 20 30 DCEDRP C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330175555 336120769 /nfs/dbraw/zinc/12/07/69/336120769.db2.gz JEJNORYNKATOMG-OAGGEKHMSA-N 2 0 324.469 0.962 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+](C)CCCOC)CC1 ZINC000173199733 340360143 /nfs/dbraw/zinc/36/01/43/340360143.db2.gz BSBDFFRPLJHYPT-UHFFFAOYSA-N 2 0 312.458 0.904 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001566965967 1160195547 /nfs/dbraw/zinc/19/55/47/1160195547.db2.gz PHDPIAXKLGUQRJ-HOTGVXAUSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CCN1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001567921910 1160535178 /nfs/dbraw/zinc/53/51/78/1160535178.db2.gz IVRREIBKQMUPIU-CVEARBPZSA-N 2 0 307.438 0.511 20 30 DCEDRP C[NH+]=C(NCCN1CCOC[C@@H]1C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261990759 526360117 /nfs/dbraw/zinc/36/01/17/526360117.db2.gz REMQNBALUBSKNL-OFQRWUPVSA-N 2 0 323.485 0.355 20 30 DCEDRP C[NH+]=C(NCCn1cc(C)cn1)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261995996 526367154 /nfs/dbraw/zinc/36/71/54/526367154.db2.gz SKZDERQQXQVDES-HIFRSBDPSA-N 2 0 304.442 0.839 20 30 DCEDRP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261671267 526369770 /nfs/dbraw/zinc/36/97/70/526369770.db2.gz BZXDBPTWSAEOPD-LSDHHAIUSA-N 2 0 320.441 0.463 20 30 DCEDRP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261671265 526370451 /nfs/dbraw/zinc/37/04/51/526370451.db2.gz BZXDBPTWSAEOPD-GJZGRUSLSA-N 2 0 320.441 0.463 20 30 DCEDRP C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000154344614 526382281 /nfs/dbraw/zinc/38/22/81/526382281.db2.gz RXYARGIWTJEHSD-GHMZBOCLSA-N 2 0 319.409 0.669 20 30 DCEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=[NH2+])N2CCSCC2)C1 ZINC000170908000 528012158 /nfs/dbraw/zinc/01/21/58/528012158.db2.gz RWMGRNLKGHEQCD-ZDUSSCGKSA-N 2 0 300.472 0.707 20 30 DCEDRP CC[C@@H]1CN(C(NC[C@H]2C[NH+]3CCN2CC3)=[NH+]C)CCS1 ZINC000261797813 529345177 /nfs/dbraw/zinc/34/51/77/529345177.db2.gz GSZUUQHRYHURMS-UONOGXRCSA-N 2 0 311.499 0.389 20 30 DCEDRP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCCO)CC1 ZINC001671464938 1175013736 /nfs/dbraw/zinc/01/37/36/1175013736.db2.gz DNHKWIQMSBXTTI-INIZCTEOSA-N 2 0 307.438 0.389 20 30 DCEDRP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000981381887 661141431 /nfs/dbraw/zinc/14/14/31/661141431.db2.gz JSKAVBOSBWIJTM-HZPDHXFCSA-N 2 0 317.437 0.709 20 30 DCEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001028192230 661269123 /nfs/dbraw/zinc/26/91/23/661269123.db2.gz GQQIFHBQPFQASL-HNNXBMFYSA-N 2 0 305.426 0.825 20 30 DCEDRP C#CCN1CC([C@H](C)NC(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC000970420506 657486729 /nfs/dbraw/zinc/48/67/29/657486729.db2.gz PJHBIVYPLKYVCB-GXTWGEPZSA-N 2 0 300.406 0.824 20 30 DCEDRP C=CCN1CCOC2(CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000949526242 658728431 /nfs/dbraw/zinc/72/84/31/658728431.db2.gz KVTVXAYVUIBIPW-UHFFFAOYSA-N 2 0 307.438 0.962 20 30 DCEDRP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C3CC[NH+](CC#C)CC3)C[C@@H]21 ZINC001026425620 659336462 /nfs/dbraw/zinc/33/64/62/659336462.db2.gz GEVDHULNMRXFQL-OKZBNKHCSA-N 2 0 313.445 0.791 20 30 DCEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025799062 659565350 /nfs/dbraw/zinc/56/53/50/659565350.db2.gz REMFUFQRYVSGAC-OWYFMNJBSA-N 2 0 305.422 0.472 20 30 DCEDRP C=CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000046865 665729861 /nfs/dbraw/zinc/72/98/61/665729861.db2.gz WREPQAYWMVUXGF-HIFRSBDPSA-N 2 0 318.425 0.279 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](CC#C)C3)CC1 ZINC000982162322 661298168 /nfs/dbraw/zinc/29/81/68/661298168.db2.gz OGSMKWZBVUCVEX-UHFFFAOYSA-N 2 0 313.445 0.889 20 30 DCEDRP CC[NH+]=C(NC[C@@H]1CCCS1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000261977918 661939554 /nfs/dbraw/zinc/93/95/54/661939554.db2.gz ODXLIAQQXFRQEP-KBPBESRZSA-N 2 0 311.499 0.437 20 30 DCEDRP C[NH+]=C(NC[C@@H]1COCCO1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262505223 662427702 /nfs/dbraw/zinc/42/77/02/662427702.db2.gz ZPRRVDNKSFSLTE-LSDHHAIUSA-N 2 0 310.442 0.537 20 30 DCEDRP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000989543382 662957102 /nfs/dbraw/zinc/95/71/02/662957102.db2.gz KZNXWYRCWXNSRZ-HIFRSBDPSA-N 2 0 305.426 0.823 20 30 DCEDRP C[NH+](C)CCCN(CCC#N)C(=O)c1ccnn1CC[NH+](C)C ZINC000900378634 663238944 /nfs/dbraw/zinc/23/89/44/663238944.db2.gz UXFSLPSEYCTILG-UHFFFAOYSA-N 2 0 320.441 0.752 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2C[NH2+]C)CC1 ZINC000911236351 664008963 /nfs/dbraw/zinc/00/89/63/664008963.db2.gz PYEMZZHYXCNZAQ-HNNXBMFYSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000916841753 665096651 /nfs/dbraw/zinc/09/66/51/665096651.db2.gz HXXZYADPAJTDBQ-CVEARBPZSA-N 2 0 320.437 0.246 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCO)[C@H]2C)CC1 ZINC000994495736 665116382 /nfs/dbraw/zinc/11/63/82/665116382.db2.gz GRYVWCOGUYXZAS-DOTOQJQBSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)NCC[N@@H+](C)CCCOC)CC1 ZINC000920421265 665270674 /nfs/dbraw/zinc/27/06/74/665270674.db2.gz KQCDXKCKWHBXQV-UHFFFAOYSA-N 2 0 310.442 0.352 20 30 DCEDRP CC#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001756637 666098856 /nfs/dbraw/zinc/09/88/56/666098856.db2.gz GCYWRIGWBIRRAL-QGZVFWFLSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@H](C)COC)C2)CC1 ZINC001016330924 666217898 /nfs/dbraw/zinc/21/78/98/666217898.db2.gz HRMIXQKKJMVJOH-ZBFHGGJFSA-N 2 0 307.438 0.557 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000922343817 666424288 /nfs/dbraw/zinc/42/42/88/666424288.db2.gz DWLDGRDZPNNGOS-INIZCTEOSA-N 2 0 324.469 0.017 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C[C@H](C)OC)C2)CC1 ZINC001033688978 666796906 /nfs/dbraw/zinc/79/69/06/666796906.db2.gz WBMCXEKDBWPKNR-RDJZCZTQSA-N 2 0 321.465 0.899 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1C[N@@H+]3CCC[C@H]3CO1)C2 ZINC000884208351 667499142 /nfs/dbraw/zinc/49/91/42/667499142.db2.gz XQENAHQXACRPJK-WCCAFZKYSA-N 2 0 318.421 0.105 20 30 DCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000867974262 667522505 /nfs/dbraw/zinc/52/25/05/667522505.db2.gz QSYRDOBUMOFWGZ-UAGQMJEPSA-N 2 0 310.401 0.955 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000761709797 668334520 /nfs/dbraw/zinc/33/45/20/668334520.db2.gz XZSCSIPGFQQHHU-QGZVFWFLSA-N 2 0 319.449 0.701 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000876775633 668508239 /nfs/dbraw/zinc/50/82/39/668508239.db2.gz CCJJMRJQDNGXEO-CHWSQXEVSA-N 2 0 301.818 0.637 20 30 DCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000876919965 668536228 /nfs/dbraw/zinc/53/62/28/668536228.db2.gz BYPSVDKDFFPRHN-GDBMZVCRSA-N 2 0 314.389 0.321 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000876973808 668545989 /nfs/dbraw/zinc/54/59/89/668545989.db2.gz QERUKMVWHIBUHG-QWHCGFSZSA-N 2 0 301.818 0.826 20 30 DCEDRP CC1([NH+]2CCOCC2)CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000877036245 668554801 /nfs/dbraw/zinc/55/48/01/668554801.db2.gz DOXKDNBEXPRPTH-UHFFFAOYSA-N 2 0 319.449 0.703 20 30 DCEDRP C=CC[C@@]1(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCC[NH2+]1 ZINC000877144247 668567384 /nfs/dbraw/zinc/56/73/84/668567384.db2.gz IWWNVWQWKPYWLT-NUJGCVRESA-N 3 0 322.497 0.883 20 30 DCEDRP COCC[N@@H+](CC(=O)NC1(C#N)CCC1)CC1CC[NH+](C)CC1 ZINC000879127302 668986606 /nfs/dbraw/zinc/98/66/06/668986606.db2.gz VEXRQELXRPOQGC-UHFFFAOYSA-N 2 0 322.453 0.839 20 30 DCEDRP C#CCN1CCOC2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000949509720 670357279 /nfs/dbraw/zinc/35/72/79/670357279.db2.gz XWQUSUSFGQHNBE-INIZCTEOSA-N 2 0 319.449 0.655 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCNc1ccc(C#N)cn1 ZINC000848991410 670746008 /nfs/dbraw/zinc/74/60/08/670746008.db2.gz CWVDWXJYRAGIRA-AWEZNQCLSA-N 2 0 315.425 0.963 20 30 DCEDRP CC[NH+]1CCN([C@H](C)CNC(NCc2ccco2)=[NH+]C)CC1 ZINC000848986957 670746267 /nfs/dbraw/zinc/74/62/67/670746267.db2.gz LSBFGZQMMLXGGL-CQSZACIVSA-N 2 0 307.442 0.971 20 30 DCEDRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(OCC#N)cc2)CC1 ZINC000819010544 671085342 /nfs/dbraw/zinc/08/53/42/671085342.db2.gz CRNRGJWJSARNTL-INIZCTEOSA-N 2 0 318.421 0.287 20 30 DCEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000819032828 671086952 /nfs/dbraw/zinc/08/69/52/671086952.db2.gz JLNSWUDNUNCDIB-YOEHRIQHSA-N 2 0 302.422 0.817 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000852891598 671188205 /nfs/dbraw/zinc/18/82/05/671188205.db2.gz TZPKTKWAMGQWJF-UHFFFAOYSA-N 2 0 318.465 0.322 20 30 DCEDRP C#CCC[N@@H+](CCOC)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000827823621 671537873 /nfs/dbraw/zinc/53/78/73/671537873.db2.gz RNLZHBKGUJHSGD-UHFFFAOYSA-N 2 0 317.437 0.700 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000841849932 671959876 /nfs/dbraw/zinc/95/98/76/671959876.db2.gz QDABKUWYAGFTJO-CABCVRRESA-N 2 0 311.389 0.831 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOC[C@H]1CCCO1 ZINC000303769877 685206099 /nfs/dbraw/zinc/20/60/99/685206099.db2.gz BHLKPNFACCEYFW-HUUCEWRRSA-N 2 0 312.458 0.961 20 30 DCEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303893158 685207934 /nfs/dbraw/zinc/20/79/34/685207934.db2.gz RSEDJXXJNOIAOQ-OAHLLOKOSA-N 2 0 311.474 0.345 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1([NH+](C)C)CCOCC1 ZINC000304762901 685212029 /nfs/dbraw/zinc/21/20/29/685212029.db2.gz WDZGZHVTABTHCR-AWEZNQCLSA-N 3 0 311.474 0.486 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958554932 687741332 /nfs/dbraw/zinc/74/13/32/687741332.db2.gz JCSMTWJFBFBGPH-DLBZAZTESA-N 2 0 321.465 0.539 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015322180 692263360 /nfs/dbraw/zinc/26/33/60/692263360.db2.gz ASEIBMLGLCKLMY-KRIMKBQASA-N 2 0 305.422 0.616 20 30 DCEDRP C=CC[NH+]1CCC(CO)(NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001570491856 1162529723 /nfs/dbraw/zinc/52/97/23/1162529723.db2.gz FZUQJXMIQGKFCW-AWEZNQCLSA-N 2 0 315.433 0.795 20 30 DCEDRP COCC#CC[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001570744380 1162609645 /nfs/dbraw/zinc/60/96/45/1162609645.db2.gz PYMNMUWLIBRUDY-MRXNPFEDSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH2+][C@H](CCNC(=O)C[NH+]1CCCC1)C(C)C ZINC001571352588 1162715744 /nfs/dbraw/zinc/71/57/44/1162715744.db2.gz SPSUDLSPBYGVHV-MRXNPFEDSA-N 2 0 309.454 0.853 20 30 DCEDRP COCC#CC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001571352279 1162715904 /nfs/dbraw/zinc/71/59/04/1162715904.db2.gz FLCOKLSPKVQEPI-JKSUJKDBSA-N 2 0 309.454 0.708 20 30 DCEDRP C=CC[NH2+][C@@H](CO)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001571434263 1162751451 /nfs/dbraw/zinc/75/14/51/1162751451.db2.gz CFIJVHYLFABKGI-GFCCVEGCSA-N 2 0 301.350 0.134 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]C[C@H](C)CC)CC1 ZINC001571448340 1162763255 /nfs/dbraw/zinc/76/32/55/1162763255.db2.gz SSYJKGCYZZMCGJ-ZBFHGGJFSA-N 2 0 309.454 0.444 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001571565852 1162812988 /nfs/dbraw/zinc/81/29/88/1162812988.db2.gz HGQZKWMFVDQJPD-CVEARBPZSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C(F)(F)F ZINC001571571481 1162816013 /nfs/dbraw/zinc/81/60/13/1162816013.db2.gz CPIPYAVNHZQNJQ-OLZOCXBDSA-N 2 0 317.355 0.942 20 30 DCEDRP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001725146330 1157702255 /nfs/dbraw/zinc/70/22/55/1157702255.db2.gz GQLMICSGYFNBMS-OAHLLOKOSA-N 2 0 309.454 0.662 20 30 DCEDRP C=CCC[NH+]1CCN(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001752372220 1157919258 /nfs/dbraw/zinc/91/92/58/1157919258.db2.gz AAEGRVKXVASOLV-UHFFFAOYSA-N 2 0 308.470 0.638 20 30 DCEDRP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+](C)C)C1=O ZINC001267712173 1157931620 /nfs/dbraw/zinc/93/16/20/1157931620.db2.gz NDPDQSPFMDIXOF-SOUVJXGZSA-N 2 0 320.437 0.010 20 30 DCEDRP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001752812857 1158250410 /nfs/dbraw/zinc/25/04/10/1158250410.db2.gz RQLOWHVBRSYCKE-JKSUJKDBSA-N 2 0 309.454 0.969 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001566905292 1160180826 /nfs/dbraw/zinc/18/08/26/1160180826.db2.gz OVYCKPTZFOJESN-SJORKVTESA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001567097187 1160240235 /nfs/dbraw/zinc/24/02/35/1160240235.db2.gz RIJNKXXIYMRVCG-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001567399699 1160347875 /nfs/dbraw/zinc/34/78/75/1160347875.db2.gz CILLKBCCLMRYBF-IRXDYDNUSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001567498316 1160397157 /nfs/dbraw/zinc/39/71/57/1160397157.db2.gz DGNFPCIEEOMXDT-SOUVJXGZSA-N 2 0 324.469 0.455 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001568066112 1160570967 /nfs/dbraw/zinc/57/09/67/1160570967.db2.gz IXCIZZHLSNSPSZ-INIZCTEOSA-N 2 0 309.454 0.806 20 30 DCEDRP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001569626260 1161167443 /nfs/dbraw/zinc/16/74/43/1161167443.db2.gz JWQHTPJVNOVIQJ-INIZCTEOSA-N 2 0 320.481 0.733 20 30 DCEDRP C=CCCC[N@H+]1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001569750926 1161222993 /nfs/dbraw/zinc/22/29/93/1161222993.db2.gz HBHHHWAPBAEQLS-INIZCTEOSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001570123286 1161425777 /nfs/dbraw/zinc/42/57/77/1161425777.db2.gz NSFYBFYUQFTICJ-UHFFFAOYSA-N 2 0 305.422 0.361 20 30 DCEDRP C#CCC[NH+]1CCC(NC(=O)[C@H]2[NH2+]CC23CCOCC3)CC1 ZINC001574584096 1163733211 /nfs/dbraw/zinc/73/32/11/1163733211.db2.gz VYSNMOUJOILJJY-OAHLLOKOSA-N 2 0 305.422 0.359 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001574603802 1163734641 /nfs/dbraw/zinc/73/46/41/1163734641.db2.gz DOFZEPTYQOXYSD-CQSZACIVSA-N 2 0 318.425 0.278 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001574673708 1163738841 /nfs/dbraw/zinc/73/88/41/1163738841.db2.gz OTWDDQYDEGYIAB-SQWLQELKSA-N 2 0 304.438 0.771 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC001574674431 1163740948 /nfs/dbraw/zinc/74/09/48/1163740948.db2.gz YTLJVMJLZSPWKF-TZMCWYRMSA-N 2 0 308.426 0.496 20 30 DCEDRP C=CC1(CC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[NH2+]C1 ZINC001574879669 1163782641 /nfs/dbraw/zinc/78/26/41/1163782641.db2.gz DYLZPJRKXPXDFD-UHFFFAOYSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CC1(CC(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[NH2+]C1 ZINC001574880634 1163783946 /nfs/dbraw/zinc/78/39/46/1163783946.db2.gz XDZYUTTZPDOILA-UHFFFAOYSA-N 2 0 318.421 0.804 20 30 DCEDRP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001577670289 1164759770 /nfs/dbraw/zinc/75/97/70/1164759770.db2.gz ZWHLKZNSDQHTRW-UNEWFSDZSA-N 2 0 322.453 0.823 20 30 DCEDRP N#CC1(C[C@@H](O)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)CCOCC1 ZINC001580038563 1165481166 /nfs/dbraw/zinc/48/11/66/1165481166.db2.gz OEXSPASZYJHPDQ-JKSUJKDBSA-N 2 0 322.453 0.037 20 30 DCEDRP N#Cc1ccc(N2CCC([NH2+]C[C@]3(O)CC[NH2+]C3)CC2)cc1 ZINC001580067134 1165490292 /nfs/dbraw/zinc/49/02/92/1165490292.db2.gz HSJGQXBAOKZRKN-KRWDZBQOSA-N 2 0 300.406 0.841 20 30 DCEDRP CN(CCC#N)C(=O)CC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001647370688 1172847586 /nfs/dbraw/zinc/84/75/86/1172847586.db2.gz VFXFONWNACSLCG-UHFFFAOYSA-N 2 0 321.469 0.460 20 30 DCEDRP C=C(C)CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001664786277 1174460413 /nfs/dbraw/zinc/46/04/13/1174460413.db2.gz WUVKBGWPSRHBLZ-KRWDZBQOSA-N 2 0 322.497 0.980 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001665687132 1174550827 /nfs/dbraw/zinc/55/08/27/1174550827.db2.gz XNJHALMVTWCATK-HOTGVXAUSA-N 2 0 307.438 0.511 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCC[NH+](C)C ZINC001667743312 1174706114 /nfs/dbraw/zinc/70/61/14/1174706114.db2.gz FJGAAXPWVNTHSQ-CVEARBPZSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC[C@@H]1CCOC1 ZINC001670127670 1174984165 /nfs/dbraw/zinc/98/41/65/1174984165.db2.gz KHDKLODMUUCWMB-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001677004320 1175512443 /nfs/dbraw/zinc/51/24/43/1175512443.db2.gz SMBNQOTYNHPMRA-CVEARBPZSA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CCN1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001690055813 1177152632 /nfs/dbraw/zinc/15/26/32/1177152632.db2.gz USDVBRUGTOQDHO-INIZCTEOSA-N 2 0 306.454 0.228 20 30 DCEDRP CC[C@@H](C(=O)N[C@H]1CC12CC[NH+](CC#CCOC)CC2)[NH+](C)C ZINC001690127955 1177176489 /nfs/dbraw/zinc/17/64/89/1177176489.db2.gz HIJMCLYIHSBJOL-HOTGVXAUSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001698901061 1177713116 /nfs/dbraw/zinc/71/31/16/1177713116.db2.gz LNJQSWUAYFCMJJ-JKSUJKDBSA-N 2 0 309.454 0.803 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001698947525 1177731872 /nfs/dbraw/zinc/73/18/72/1177731872.db2.gz ASNLLZKEMGLHQD-JKSUJKDBSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCC[NH2+][C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC001698977269 1177744536 /nfs/dbraw/zinc/74/45/36/1177744536.db2.gz NTLNHVNQBPQKDF-HZPDHXFCSA-N 2 0 309.454 0.708 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1=O ZINC001699417261 1178128566 /nfs/dbraw/zinc/12/85/66/1178128566.db2.gz DTOATIIIOFPEDT-RRFJBIMHSA-N 2 0 324.469 0.454 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001699676551 1178247971 /nfs/dbraw/zinc/24/79/71/1178247971.db2.gz VGVSDGXSHKVLNO-UHFFFAOYSA-N 2 0 307.438 0.751 20 30 DCEDRP C=CCOCC[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001699990557 1178408821 /nfs/dbraw/zinc/40/88/21/1178408821.db2.gz DWJGCCGNWVZGMK-YESZJQIVSA-N 2 0 321.465 0.921 20 30 DCEDRP CC(C)[C@@H](C(=O)NCC[NH+]1CCC(NCC#N)CC1)[NH+](C)C ZINC001699992214 1178411222 /nfs/dbraw/zinc/41/12/22/1178411222.db2.gz LWNZZJSRRPSOJA-HNNXBMFYSA-N 2 0 309.458 0.266 20 30 DCEDRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2CCC(NCC#N)CC2)C1 ZINC001699994952 1178412582 /nfs/dbraw/zinc/41/25/82/1178412582.db2.gz JAGAIZRRLLXSHT-CQSZACIVSA-N 2 0 307.442 0.022 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H](C[NH2+]CCF)C2)CC1 ZINC001700169123 1178512970 /nfs/dbraw/zinc/51/29/70/1178512970.db2.gz TUVAIQPLSXOZNG-HNNXBMFYSA-N 2 0 311.401 0.118 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@](CO)([NH2+]CC=C)C2)CC1 ZINC001700242087 1178549680 /nfs/dbraw/zinc/54/96/80/1178549680.db2.gz NBIRGFOMPINDOJ-SFHVURJKSA-N 2 0 319.449 0.461 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001700278159 1178565242 /nfs/dbraw/zinc/56/52/42/1178565242.db2.gz NVNMUPZZHXVESV-UONOGXRCSA-N 2 0 310.442 0.065 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001700294609 1178567895 /nfs/dbraw/zinc/56/78/95/1178567895.db2.gz ZDEBCCJCOSCBJD-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](CC#C)CC1 ZINC001700364356 1178597141 /nfs/dbraw/zinc/59/71/41/1178597141.db2.gz KDYPPLZUSQCFQY-QGZVFWFLSA-N 2 0 301.434 0.888 20 30 DCEDRP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001700405795 1178609189 /nfs/dbraw/zinc/60/91/89/1178609189.db2.gz UFIBJLYAXSQNEQ-LSDHHAIUSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001700610711 1178679161 /nfs/dbraw/zinc/67/91/61/1178679161.db2.gz NIUUYTSSYMJGOY-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1OCC ZINC001707151025 1180423745 /nfs/dbraw/zinc/42/37/45/1180423745.db2.gz RDFWGTIGVGLLNE-ARFHVFGLSA-N 2 0 307.438 0.415 20 30 DCEDRP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001707181131 1180428357 /nfs/dbraw/zinc/42/83/57/1180428357.db2.gz QQKVYWFYAWUVPM-LBPRGKRZSA-N 2 0 305.382 0.168 20 30 DCEDRP C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001707208616 1180433802 /nfs/dbraw/zinc/43/38/02/1180433802.db2.gz LYGZMLUEJYEGSH-MRXNPFEDSA-N 2 0 321.465 0.637 20 30 DCEDRP C#CC[N@@H+](CCCNC(=O)[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001713049833 1180650332 /nfs/dbraw/zinc/65/03/32/1180650332.db2.gz XDENVCOPHKLPHC-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](CC#C)CC1 ZINC001713268872 1180745807 /nfs/dbraw/zinc/74/58/07/1180745807.db2.gz JMPGKZGQIIMOGG-KRWDZBQOSA-N 2 0 301.434 0.936 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001713346328 1180779472 /nfs/dbraw/zinc/77/94/72/1180779472.db2.gz SUJKQKBQVOHOBS-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001713401947 1180799174 /nfs/dbraw/zinc/79/91/74/1180799174.db2.gz WLTQSWPXSQGVLX-IAGOWNOFSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001714047648 1181223451 /nfs/dbraw/zinc/22/34/51/1181223451.db2.gz DYFASOFVKHZWFP-HOTGVXAUSA-N 2 0 307.438 0.416 20 30 DCEDRP C=CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001714316696 1181318101 /nfs/dbraw/zinc/31/81/01/1181318101.db2.gz XWGMZFHWQOUTOM-HNNXBMFYSA-N 2 0 322.453 0.213 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCC[C@@H](C)O)C2)CC1 ZINC001714334994 1181324080 /nfs/dbraw/zinc/32/40/80/1181324080.db2.gz ZYJCGOJFKYQUSZ-WBVHZDCISA-N 2 0 321.465 0.683 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001714542153 1181408579 /nfs/dbraw/zinc/40/85/79/1181408579.db2.gz QTDCGBVGLIVCGS-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP CC[N@@H+](CC#CCOC)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001714592927 1181429755 /nfs/dbraw/zinc/42/97/55/1181429755.db2.gz FOHQLLYACKMXKJ-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001714731975 1181511546 /nfs/dbraw/zinc/51/15/46/1181511546.db2.gz VJEKYCVKQJBVFU-XHSDSOJGSA-N 2 0 309.454 0.803 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001714766546 1181532417 /nfs/dbraw/zinc/53/24/17/1181532417.db2.gz ZATFCJZRWHJNNC-HNNXBMFYSA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001715449735 1181816170 /nfs/dbraw/zinc/81/61/70/1181816170.db2.gz XYYBMRHAHOEVLY-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001715597566 1181885569 /nfs/dbraw/zinc/88/55/69/1181885569.db2.gz JAPNHEUWQDPVEO-IAGOWNOFSA-N 2 0 321.465 0.874 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC#CCOC ZINC001715645916 1181920918 /nfs/dbraw/zinc/92/09/18/1181920918.db2.gz JZECQXPTPMTVNV-CVEARBPZSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1=O ZINC001716399705 1182374631 /nfs/dbraw/zinc/37/46/31/1182374631.db2.gz DTOATIIIOFPEDT-ILXRZTDVSA-N 2 0 324.469 0.454 20 30 DCEDRP COCC#CC[NH2+]CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001716586174 1182457335 /nfs/dbraw/zinc/45/73/35/1182457335.db2.gz NJCJWFFWIOUOGW-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[N@@H+](CCOC)C1CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001716716492 1182501468 /nfs/dbraw/zinc/50/14/68/1182501468.db2.gz GOLCOSIHZGYAFT-UHFFFAOYSA-N 2 0 304.394 0.525 20 30 DCEDRP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001716920537 1182575192 /nfs/dbraw/zinc/57/51/92/1182575192.db2.gz XRXHEHWDGKVYQR-AEFFLSMTSA-N 2 0 319.449 0.580 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001717195974 1182723833 /nfs/dbraw/zinc/72/38/33/1182723833.db2.gz SURGQQZPAZQFFP-IXDOHACOSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001717255818 1182752831 /nfs/dbraw/zinc/75/28/31/1182752831.db2.gz ANTFUSZSQHSKQY-KRWDZBQOSA-N 2 0 307.438 0.295 20 30 DCEDRP CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001717615512 1182925758 /nfs/dbraw/zinc/92/57/58/1182925758.db2.gz LJMADLPILUWPRD-LSDHHAIUSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001717750987 1182978393 /nfs/dbraw/zinc/97/83/93/1182978393.db2.gz UDEYRUPSKARYTA-KBPBESRZSA-N 2 0 322.453 0.209 20 30 DCEDRP C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001717772100 1182991022 /nfs/dbraw/zinc/99/10/22/1182991022.db2.gz XYVONBPSZBGKPM-CYBMUJFWSA-N 2 0 315.377 0.524 20 30 DCEDRP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001717938827 1183077680 /nfs/dbraw/zinc/07/76/80/1183077680.db2.gz TWRUXAKIVGXVPR-HOTGVXAUSA-N 2 0 309.454 0.634 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001723301713 1184282322 /nfs/dbraw/zinc/28/23/22/1184282322.db2.gz REWAKCXFVLKILH-FVQBIDKESA-N 2 0 307.438 0.461 20 30 DCEDRP C#CC[NH2+]C[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC001723308872 1184283652 /nfs/dbraw/zinc/28/36/52/1184283652.db2.gz WTAGBNVKYBQZKD-HNNXBMFYSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCOCC1 ZINC001724367919 1184414348 /nfs/dbraw/zinc/41/43/48/1184414348.db2.gz LAKIKSMWZMKTFK-UHFFFAOYSA-N 2 0 307.438 0.607 20 30 DCEDRP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001724420962 1184437096 /nfs/dbraw/zinc/43/70/96/1184437096.db2.gz CADRXMDJIHCWAV-QGZVFWFLSA-N 2 0 307.438 0.601 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC#C)CC2)C[C@@H]1C ZINC001724610966 1184473162 /nfs/dbraw/zinc/47/31/62/1184473162.db2.gz XACMEUVECLTKOP-DOTOQJQBSA-N 2 0 301.434 0.649 20 30 DCEDRP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001724641566 1184491182 /nfs/dbraw/zinc/49/11/82/1184491182.db2.gz OVNCUFYNTHLOLG-KRWDZBQOSA-N 2 0 307.438 0.295 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001724903834 1184612809 /nfs/dbraw/zinc/61/28/09/1184612809.db2.gz JPCBIHYVKDFTRU-NVXWUHKLSA-N 2 0 307.438 0.437 20 30 DCEDRP CC#CC[NH+]1CCC(CO)(NC(=O)Cc2[nH]cnc2C)CC1 ZINC001725020936 1184658928 /nfs/dbraw/zinc/65/89/28/1184658928.db2.gz FGLTUKMAQSRGRZ-UHFFFAOYSA-N 2 0 304.394 0.227 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001725021894 1184659887 /nfs/dbraw/zinc/65/98/87/1184659887.db2.gz PLFHBSMOHIPBLR-UHFFFAOYSA-N 2 0 307.438 0.439 20 30 DCEDRP C=CCOCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001725318008 1184767328 /nfs/dbraw/zinc/76/73/28/1184767328.db2.gz KAYPLJXBDBQNCF-PHZGNYQRSA-N 2 0 319.449 0.579 20 30 DCEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001725540266 1184871673 /nfs/dbraw/zinc/87/16/73/1184871673.db2.gz SGZIRUAOOKZAKJ-CQSZACIVSA-N 2 0 309.454 0.729 20 30 DCEDRP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001725726421 1184977835 /nfs/dbraw/zinc/97/78/35/1184977835.db2.gz ZXCNAQQJFFWXAP-IRXDYDNUSA-N 2 0 323.481 0.881 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001725782159 1184991441 /nfs/dbraw/zinc/99/14/41/1184991441.db2.gz FFRXRPZQGLPDKB-WLYUNCDWSA-N 2 0 322.453 0.045 20 30 DCEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001731433171 1185331020 /nfs/dbraw/zinc/33/10/20/1185331020.db2.gz HPPNXTXSAIOFGQ-JKSUJKDBSA-N 2 0 307.438 0.721 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001731647027 1185427144 /nfs/dbraw/zinc/42/71/44/1185427144.db2.gz ROLNANWFUPEDMR-KGLIPLIRSA-N 2 0 310.442 0.209 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001731721014 1185456540 /nfs/dbraw/zinc/45/65/40/1185456540.db2.gz VXODRMCKUYOFQF-INIZCTEOSA-N 2 0 309.454 0.899 20 30 DCEDRP C=CCC[NH+]1CCN(CCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001732064078 1185654651 /nfs/dbraw/zinc/65/46/51/1185654651.db2.gz GAKBTBYNEKYGFN-KRWDZBQOSA-N 2 0 322.497 0.980 20 30 DCEDRP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+]([C@@H](C)COC)CC1 ZINC001733376080 1186246429 /nfs/dbraw/zinc/24/64/29/1186246429.db2.gz XXQCIJCNIWFDLW-JKSUJKDBSA-N 2 0 321.465 0.899 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCO)C2CCCC2)CC1 ZINC001733386092 1186248438 /nfs/dbraw/zinc/24/84/38/1186248438.db2.gz BHTAZIUWQBVTQS-KRWDZBQOSA-N 2 0 321.465 0.589 20 30 DCEDRP C=CCOCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001733582042 1186341305 /nfs/dbraw/zinc/34/13/05/1186341305.db2.gz XXJSVHFULWAFCJ-OAGGEKHMSA-N 2 0 307.438 0.531 20 30 DCEDRP C=CCOCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCO1 ZINC001733729443 1186416462 /nfs/dbraw/zinc/41/64/62/1186416462.db2.gz GNLSVGQPHPIFOT-GJZGRUSLSA-N 2 0 311.426 0.100 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC#CCOC)C1 ZINC001733960350 1186509320 /nfs/dbraw/zinc/50/93/20/1186509320.db2.gz RGSYEDBTYDLWCD-JCYILVPMSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001734196378 1186576500 /nfs/dbraw/zinc/57/65/00/1186576500.db2.gz GFRTZIRYTZXAPG-UHFFFAOYSA-N 2 0 319.449 0.656 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[NH2+]CCC2CC2)CC1 ZINC001734538201 1186682436 /nfs/dbraw/zinc/68/24/36/1186682436.db2.gz RGVMUDWLMZRKGF-KRWDZBQOSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001734542016 1186684724 /nfs/dbraw/zinc/68/47/24/1186684724.db2.gz RQNYNLZTAUTORY-OAHLLOKOSA-N 2 0 309.454 0.635 20 30 DCEDRP C#CC[N@H+]1CC=C(CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001734634533 1186713257 /nfs/dbraw/zinc/71/32/57/1186713257.db2.gz CAJLYGKXLCHJML-UHFFFAOYSA-N 2 0 305.422 0.479 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001753104736 1188500981 /nfs/dbraw/zinc/50/09/81/1188500981.db2.gz VZQXXTMGSUVFQH-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP CC[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CC#CCOC ZINC001754467241 1188858270 /nfs/dbraw/zinc/85/82/70/1188858270.db2.gz CSCDGZUTHWDVLA-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001754698470 1188908660 /nfs/dbraw/zinc/90/86/60/1188908660.db2.gz NAIPOGRUFHCCGQ-SFHVURJKSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCC[NH+]1CCC[C@@](CO)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001754857161 1188951917 /nfs/dbraw/zinc/95/19/17/1188951917.db2.gz AOBPFLCCGNRPBB-NVXWUHKLSA-N 2 0 309.454 0.847 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCC1 ZINC001754987216 1188987186 /nfs/dbraw/zinc/98/71/86/1188987186.db2.gz KRFIOGBCHDEMHR-CQSZACIVSA-N 2 0 322.453 0.259 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC#CCOC)C1 ZINC001755212060 1189057013 /nfs/dbraw/zinc/05/70/13/1189057013.db2.gz BUWMCNHISYBWBY-OFLPRAFFSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001755368535 1189092474 /nfs/dbraw/zinc/09/24/74/1189092474.db2.gz SLWDEFZMOIELBF-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001755482266 1189123780 /nfs/dbraw/zinc/12/37/80/1189123780.db2.gz OSWVVQWZQVLDSZ-BQFCYCMXSA-N 2 0 319.449 0.607 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCO)C(C)(C)C)CC1 ZINC001755839050 1189232370 /nfs/dbraw/zinc/23/23/70/1189232370.db2.gz IHXFTDBTDABMFX-HNNXBMFYSA-N 2 0 309.454 0.444 20 30 DCEDRP C#CC[NH2+]CCOCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001755876114 1189243728 /nfs/dbraw/zinc/24/37/28/1189243728.db2.gz ISBMOOBGMQYONC-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP COc1ccc(C#N)cc1C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124837587 751721714 /nfs/dbraw/zinc/72/17/14/751721714.db2.gz OHWKDFOHZMJJAW-OAHLLOKOSA-N 2 0 316.405 0.867 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CCF)[C@H](C)C2)CC1 ZINC001107034195 751777050 /nfs/dbraw/zinc/77/70/50/751777050.db2.gz OAUIYGFBWYQQNK-GDBMZVCRSA-N 2 0 309.429 0.985 20 30 DCEDRP CC[C@@H](C(=O)NCCC1(C[NH2+]CC#CCOC)CC1)[NH+](C)C ZINC001167260719 747044194 /nfs/dbraw/zinc/04/41/94/747044194.db2.gz GIPNEYFWAILPTK-HNNXBMFYSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372384 748637677 /nfs/dbraw/zinc/63/76/77/748637677.db2.gz CLDFCCOFRJQGTJ-ZDUSSCGKSA-N 2 0 318.425 0.279 20 30 DCEDRP C=C(C)CNCc1cn(C2CN(C(=O)Cn3ccnc3)C2)nn1 ZINC001105383026 748813013 /nfs/dbraw/zinc/81/30/13/748813013.db2.gz RDGGUSINMWOMSD-UHFFFAOYSA-N 2 0 315.381 0.224 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168029151 749090522 /nfs/dbraw/zinc/09/05/22/749090522.db2.gz CWNCWWAMMRGHNW-HOTGVXAUSA-N 2 0 307.438 0.749 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621625 751206927 /nfs/dbraw/zinc/20/69/27/751206927.db2.gz VYQYGSBKWNGQQF-NVXWUHKLSA-N 2 0 321.465 0.662 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001203460035 752662353 /nfs/dbraw/zinc/66/23/53/752662353.db2.gz LQJOVXMQCVDPPH-AWEZNQCLSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC(=C)C)C[C@H]2O)CC1 ZINC001078227161 753122047 /nfs/dbraw/zinc/12/20/47/753122047.db2.gz LRWKPVKMSYAWGX-IAGOWNOFSA-N 2 0 319.449 0.459 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC001045646428 753278238 /nfs/dbraw/zinc/27/82/38/753278238.db2.gz IXXLLMOEPICDIZ-OAHLLOKOSA-N 2 0 321.465 0.683 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001047424346 754269620 /nfs/dbraw/zinc/26/96/20/754269620.db2.gz HTABUNJFSWPHAL-HOTGVXAUSA-N 2 0 321.465 0.942 20 30 DCEDRP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001047469906 754309176 /nfs/dbraw/zinc/30/91/76/754309176.db2.gz BZYZZFOZHAZGBM-YESZJQIVSA-N 2 0 321.465 0.940 20 30 DCEDRP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001047553565 754386539 /nfs/dbraw/zinc/38/65/39/754386539.db2.gz LSXFZDTZMNVOFD-IKGGRYGDSA-N 2 0 321.465 0.776 20 30 DCEDRP C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001047584388 754411675 /nfs/dbraw/zinc/41/16/75/754411675.db2.gz RPAAYQWZVJGGCO-HOTGVXAUSA-N 2 0 307.438 0.244 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOC)CC1 ZINC001096605294 755457349 /nfs/dbraw/zinc/45/73/49/755457349.db2.gz HZCYVPJLEFXWMW-IKGGRYGDSA-N 2 0 319.449 0.700 20 30 DCEDRP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083621 757484325 /nfs/dbraw/zinc/48/43/25/757484325.db2.gz CIYBGALFKSJEER-YESZJQIVSA-N 2 0 319.449 0.816 20 30 DCEDRP C#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001098371496 762656829 /nfs/dbraw/zinc/65/68/29/762656829.db2.gz UWXNXKVEZQDVMH-GDBMZVCRSA-N 2 0 307.438 0.245 20 30 DCEDRP C=CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117602 759191461 /nfs/dbraw/zinc/19/14/61/759191461.db2.gz VAFIZHNFYVZKCC-SJORKVTESA-N 2 0 320.481 0.733 20 30 DCEDRP N#Cc1ccc(F)c(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001147977031 767890452 /nfs/dbraw/zinc/89/04/52/767890452.db2.gz GRSXEDILUSTZPI-UHFFFAOYSA-N 2 0 316.380 0.999 20 30 DCEDRP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@H+](CC#CCOC)C2 ZINC001148469415 767991093 /nfs/dbraw/zinc/99/10/93/767991093.db2.gz JGJXEKUODMZTSV-UHFFFAOYSA-N 2 0 307.438 0.512 20 30 DCEDRP COCC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C(C)C)C2 ZINC001108832404 761069648 /nfs/dbraw/zinc/06/96/48/761069648.db2.gz RSMMSNHJHUFBNS-BBWFWOEESA-N 2 0 321.465 0.946 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001070196498 761132856 /nfs/dbraw/zinc/13/28/56/761132856.db2.gz AXNINQWUVTXUIR-TUVASFSCSA-N 2 0 318.425 0.146 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100127585 761158690 /nfs/dbraw/zinc/15/86/90/761158690.db2.gz XEAMLCLGRGQALU-JKSUJKDBSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001070629574 761360356 /nfs/dbraw/zinc/36/03/56/761360356.db2.gz NFPZPBXTRWNWHA-KFWWJZLASA-N 2 0 317.437 0.584 20 30 DCEDRP C=CCOCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131768 761517773 /nfs/dbraw/zinc/51/77/73/761517773.db2.gz ILDRZEKDAKSOGL-GJZGRUSLSA-N 2 0 313.442 0.081 20 30 DCEDRP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001071064958 761606621 /nfs/dbraw/zinc/60/66/21/761606621.db2.gz DGWCIKXSKURPOQ-ZACQAIPSSA-N 2 0 321.465 0.946 20 30 DCEDRP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129994410 763073970 /nfs/dbraw/zinc/07/39/70/763073970.db2.gz MLYOURCETZTKCT-CABCVRRESA-N 2 0 320.441 0.538 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130079615 763118065 /nfs/dbraw/zinc/11/80/65/763118065.db2.gz SLZOWQLXNMOEOH-KGLIPLIRSA-N 2 0 306.414 0.147 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100638328 763695990 /nfs/dbraw/zinc/69/59/90/763695990.db2.gz HABQSZGFUQJCSA-IYXRBSQSSA-N 2 0 310.442 0.113 20 30 DCEDRP C#CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@@H+](C)C(C)C)C[C@H](C)O2 ZINC001131704112 763949279 /nfs/dbraw/zinc/94/92/79/763949279.db2.gz QPYVHDVZDWFZPZ-RDJZCZTQSA-N 2 0 307.438 0.652 20 30 DCEDRP C#CC[NH+](CCO)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001098477865 764145914 /nfs/dbraw/zinc/14/59/14/764145914.db2.gz MPAWOUAQLPYFLZ-OAHLLOKOSA-N 2 0 307.438 0.247 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001132738078 764615663 /nfs/dbraw/zinc/61/56/63/764615663.db2.gz VDWWRBXYBXPNKF-CQSZACIVSA-N 2 0 310.442 0.116 20 30 DCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206051 765473977 /nfs/dbraw/zinc/47/39/77/765473977.db2.gz FQWDHFRVFKSTEN-JHJVBQTASA-N 2 0 317.355 0.940 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134768868 765662299 /nfs/dbraw/zinc/66/22/99/765662299.db2.gz GWSMTOWJHBRKEW-GJZGRUSLSA-N 2 0 324.469 0.646 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001159327376 765753216 /nfs/dbraw/zinc/75/32/16/765753216.db2.gz HSOIZKGOPPOLTC-CQSZACIVSA-N 2 0 310.442 0.259 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299053 765873361 /nfs/dbraw/zinc/87/33/61/765873361.db2.gz SUUYOZDNDHCDTI-UONOGXRCSA-N 2 0 324.469 0.503 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135882174 766149605 /nfs/dbraw/zinc/14/96/05/766149605.db2.gz IOZIOUYAPYABQJ-UONOGXRCSA-N 2 0 312.458 0.503 20 30 DCEDRP C#CCN1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001090650344 766437977 /nfs/dbraw/zinc/43/79/77/766437977.db2.gz JUULTPYGARYTOM-IRXDYDNUSA-N 2 0 315.417 0.546 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC)C[C@@H]2O)CC1 ZINC001090830876 766648962 /nfs/dbraw/zinc/64/89/62/766648962.db2.gz QDYQWSVSYNJVDP-CVEARBPZSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[NH2+]C1CC(CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001091033070 766854253 /nfs/dbraw/zinc/85/42/53/766854253.db2.gz YDYYFGVTXMBMKO-UHFFFAOYSA-N 2 0 303.410 0.176 20 30 DCEDRP C#CCC[NH+]1CCCO[C@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001150626237 769144666 /nfs/dbraw/zinc/14/46/66/769144666.db2.gz URXAOPJAIKTGOE-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001151307637 769309158 /nfs/dbraw/zinc/30/91/58/769309158.db2.gz BPDCYKZLZQIQEU-CVEARBPZSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[N@@H+](C)CCC ZINC001171732296 769359786 /nfs/dbraw/zinc/35/97/86/769359786.db2.gz ZKGOLIIFNJNKGL-AWEZNQCLSA-N 2 0 312.458 0.505 20 30 DCEDRP C[C@H]1C[N@H+](CCCNC(=O)NCC#CC[NH+](C)C)CCCO1 ZINC001234145243 769563329 /nfs/dbraw/zinc/56/33/29/769563329.db2.gz CNCNPLOVEOZMPY-HNNXBMFYSA-N 2 0 310.442 0.352 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001152457943 769566131 /nfs/dbraw/zinc/56/61/31/769566131.db2.gz JFDHQQFNQXWYGM-KBPBESRZSA-N 2 0 310.442 0.257 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001175048946 769855331 /nfs/dbraw/zinc/85/53/31/769855331.db2.gz MQAUJBDJKZLHBG-CABCVRRESA-N 2 0 324.469 0.341 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001175768228 769958743 /nfs/dbraw/zinc/95/87/43/769958743.db2.gz MMGUNRHPBJRYEU-OAHLLOKOSA-N 2 0 324.469 0.342 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001176844538 770189311 /nfs/dbraw/zinc/18/93/11/770189311.db2.gz KPMZCBOWPPQWPG-ZIAGYGMSSA-N 2 0 310.442 0.257 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2ncc(C)o2)CC1 ZINC001176926110 770225186 /nfs/dbraw/zinc/22/51/86/770225186.db2.gz GTTRVRHYZRQIIW-UHFFFAOYSA-N 2 0 318.421 0.924 20 30 DCEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001154836512 770312580 /nfs/dbraw/zinc/31/25/80/770312580.db2.gz BPAVZAKIDLJHMN-HZPDHXFCSA-N 2 0 309.454 0.946 20 30 DCEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001178536254 770783389 /nfs/dbraw/zinc/78/33/89/770783389.db2.gz SKSKWPOKLUDUPQ-HZPDHXFCSA-N 2 0 307.438 0.749 20 30 DCEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001156907919 770961743 /nfs/dbraw/zinc/96/17/43/770961743.db2.gz LQLIYSWENGTSQJ-JKSUJKDBSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001179852727 771023982 /nfs/dbraw/zinc/02/39/82/771023982.db2.gz ZLKQWQQBLMXSNT-KKUMJFAQSA-N 2 0 322.453 0.045 20 30 DCEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179933564 771036543 /nfs/dbraw/zinc/03/65/43/771036543.db2.gz HSHWPOKBWAPODJ-GJZGRUSLSA-N 2 0 313.442 0.346 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001182623664 771515116 /nfs/dbraw/zinc/51/51/16/771515116.db2.gz RXQVTDNUQANKMP-HZPDHXFCSA-N 2 0 305.422 0.169 20 30 DCEDRP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@@H]([NH2+]CC#CCOC)C1 ZINC001182965041 771582865 /nfs/dbraw/zinc/58/28/65/771582865.db2.gz RZBQSQQITGANHU-CABCVRRESA-N 2 0 313.417 0.507 20 30 DCEDRP C[NH+]1CCC(C[NH+]2CCN(c3cncc(C#N)n3)CC2)CC1 ZINC001157836007 771678604 /nfs/dbraw/zinc/67/86/04/771678604.db2.gz IUQCIUCZTGRFPW-UHFFFAOYSA-N 2 0 300.410 0.812 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001157899044 771689206 /nfs/dbraw/zinc/68/92/06/771689206.db2.gz IAIOEWZIKMOZNN-HUUCEWRRSA-N 2 0 322.453 0.093 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158038085 771717963 /nfs/dbraw/zinc/71/79/63/771717963.db2.gz MUNRGTWYPQOEPD-CVEARBPZSA-N 2 0 307.438 0.607 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001185084507 771865507 /nfs/dbraw/zinc/86/55/07/771865507.db2.gz KMQKDOZSTXUCFP-HOTGVXAUSA-N 2 0 309.454 0.662 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001185501638 771922746 /nfs/dbraw/zinc/92/27/46/771922746.db2.gz HVFSBOMKTHTDJE-CVEARBPZSA-N 2 0 309.454 0.662 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H](CC)[NH+](C)C)C1=O ZINC001160883357 772132443 /nfs/dbraw/zinc/13/24/43/772132443.db2.gz LBYDWIDWGCJGFS-UONOGXRCSA-N 2 0 310.442 0.209 20 30 DCEDRP COC(=O)C1(C#N)CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001161491853 772233863 /nfs/dbraw/zinc/23/38/63/772233863.db2.gz JEJXIJGTRXDSIC-LBPRGKRZSA-N 2 0 310.398 0.138 20 30 DCEDRP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001164597179 772686935 /nfs/dbraw/zinc/68/69/35/772686935.db2.gz XWEAFEORRFGCNY-CABCVRRESA-N 2 0 305.422 0.359 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)c1occc1C[NH+](C)C ZINC001165245732 772710189 /nfs/dbraw/zinc/71/01/89/772710189.db2.gz DIDSDKLUCJUPIQ-UHFFFAOYSA-N 2 0 307.394 0.701 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001204798528 772962646 /nfs/dbraw/zinc/96/26/46/772962646.db2.gz KHKPQTJIIQEQBV-OAHLLOKOSA-N 2 0 322.453 0.211 20 30 DCEDRP COCC#CC[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001206273835 773060700 /nfs/dbraw/zinc/06/07/00/773060700.db2.gz AMPRNQFMKMDUCK-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP CC[C@@H](C(=O)N1CCC(C[NH2+]CC#CCOC)CC1)[NH+](C)C ZINC001206302229 773064608 /nfs/dbraw/zinc/06/46/08/773064608.db2.gz VOYYYENJBSQWGH-INIZCTEOSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001193507421 773075894 /nfs/dbraw/zinc/07/58/94/773075894.db2.gz WOSWMJICYDJQSN-OWCLPIDISA-N 2 0 309.454 0.988 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001208334972 773435806 /nfs/dbraw/zinc/43/58/06/773435806.db2.gz PBUKTIYLWZQITF-CVEARBPZSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001208334921 773436080 /nfs/dbraw/zinc/43/60/80/773436080.db2.gz OFJFDYAYYVKMOB-ZBFHGGJFSA-N 2 0 322.453 0.209 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001208340152 773437067 /nfs/dbraw/zinc/43/70/67/773437067.db2.gz JNBPYAYCQYQYFK-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836144 773652098 /nfs/dbraw/zinc/65/20/98/773652098.db2.gz GWBQVBUDRDBQBC-GDBMZVCRSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCOCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001197158926 773707310 /nfs/dbraw/zinc/70/73/10/773707310.db2.gz YQGMWGFMJMACON-JKSUJKDBSA-N 2 0 309.454 0.921 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CC#CCOC)C1 ZINC001210789058 773739342 /nfs/dbraw/zinc/73/93/42/773739342.db2.gz MHZBWVWHYGFMJC-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CCCO)C2)CC1 ZINC001211234392 773784378 /nfs/dbraw/zinc/78/43/78/773784378.db2.gz ZHXLLLVEZAJKDG-INIZCTEOSA-N 2 0 307.438 0.295 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211310547 773791824 /nfs/dbraw/zinc/79/18/24/773791824.db2.gz RYYFEFXJVCQKPZ-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001214960964 774028244 /nfs/dbraw/zinc/02/82/44/774028244.db2.gz PKNVMEGFIBOUOG-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214973082 774029633 /nfs/dbraw/zinc/02/96/33/774029633.db2.gz LXCDFYVVGXZYRO-RBSFLKMASA-N 2 0 322.453 0.209 20 30 DCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215540001 774081778 /nfs/dbraw/zinc/08/17/78/774081778.db2.gz GERCFTFSUKVHOW-BZUAXINKSA-N 2 0 309.454 0.967 20 30 DCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215598947 774084513 /nfs/dbraw/zinc/08/45/13/774084513.db2.gz KXWPSPPIFRRCMQ-BRWVUGGUSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216757831 774134611 /nfs/dbraw/zinc/13/46/11/774134611.db2.gz NIESTVFSRLWYEA-OWCLPIDISA-N 2 0 309.454 0.967 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200528483 774362464 /nfs/dbraw/zinc/36/24/64/774362464.db2.gz LPWXTKHZDWOIPZ-HOTGVXAUSA-N 2 0 305.422 0.169 20 30 DCEDRP COCC#CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200636600 774382443 /nfs/dbraw/zinc/38/24/43/774382443.db2.gz JQCUROBAZKAQOP-GDBMZVCRSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200687627 774390395 /nfs/dbraw/zinc/39/03/95/774390395.db2.gz DOTTVWDBVFTBKM-CVEARBPZSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCCO1 ZINC001201063489 774440888 /nfs/dbraw/zinc/44/08/88/774440888.db2.gz UONVFKJCCQMEFR-IAGOWNOFSA-N 2 0 319.449 0.701 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001201267365 774480746 /nfs/dbraw/zinc/48/07/46/774480746.db2.gz MSQAOVWBDDBTLH-HNNXBMFYSA-N 2 0 322.453 0.354 20 30 DCEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201863577 774559587 /nfs/dbraw/zinc/55/95/87/774559587.db2.gz NURJDOHQUAEXQF-OAHLLOKOSA-N 2 0 313.442 0.348 20 30 DCEDRP COCC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001202502604 774768610 /nfs/dbraw/zinc/76/86/10/774768610.db2.gz FUIFJJJUDGSBKO-GDBMZVCRSA-N 2 0 307.438 0.415 20 30 DCEDRP COc1ccc(C(=NC(=O)C[C@@H]([NH3+])CCCC[NH3+])NO)nc1 ZINC001220377478 774787541 /nfs/dbraw/zinc/78/75/41/774787541.db2.gz ZNZPEBISUJBKNE-JTQLQIEISA-N 2 0 309.370 0.189 20 30 DCEDRP CC[C@H](C(=O)NCC1CC[NH+](CC#CCOC)CC1)[NH+](C)C ZINC001223597584 775503199 /nfs/dbraw/zinc/50/31/99/775503199.db2.gz NSXTXBTWRXVMJG-MRXNPFEDSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001114732336 776078536 /nfs/dbraw/zinc/07/85/36/776078536.db2.gz DPONGZBUAOXGEP-SMLCLMEVSA-N 2 0 319.449 0.413 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001229008136 776147989 /nfs/dbraw/zinc/14/79/89/776147989.db2.gz JIRBIARLSJZLOD-ZDUSSCGKSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001230153117 776259639 /nfs/dbraw/zinc/25/96/39/776259639.db2.gz YDNQCVIWWNBERQ-BRWVUGGUSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001266439581 939118333 /nfs/dbraw/zinc/11/83/33/939118333.db2.gz RLRBONGOEMVCRX-ZBFHGGJFSA-N 2 0 307.438 0.462 20 30 DCEDRP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]([NH2+]CC#CCOC)C1 ZINC001266529966 939152947 /nfs/dbraw/zinc/15/29/47/939152947.db2.gz RZBQSQQITGANHU-GJZGRUSLSA-N 2 0 313.417 0.507 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001266993730 939300970 /nfs/dbraw/zinc/30/09/70/939300970.db2.gz DSYQPLSGMISDSP-GJZGRUSLSA-N 2 0 322.453 0.095 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CC#CC)C2)CC1 ZINC001267069759 939330571 /nfs/dbraw/zinc/33/05/71/939330571.db2.gz CWUQCTNKWNCTCQ-MRXNPFEDSA-N 2 0 301.434 0.793 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCn1cccn1 ZINC001267132863 939354468 /nfs/dbraw/zinc/35/44/68/939354468.db2.gz TXHOHLSUFMCBMY-HOTGVXAUSA-N 2 0 317.437 0.465 20 30 DCEDRP COCC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001267216703 939390715 /nfs/dbraw/zinc/39/07/15/939390715.db2.gz QGVIEUKLYNHNCY-NVXWUHKLSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001267310570 939422105 /nfs/dbraw/zinc/42/21/05/939422105.db2.gz YBGYNQOBQFDKGW-QGZVFWFLSA-N 2 0 321.465 0.950 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)C[C@@H]2CCCOC2)CC1 ZINC001480950008 939469169 /nfs/dbraw/zinc/46/91/69/939469169.db2.gz CLRLIMHGLZTLNH-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001267569290 939504184 /nfs/dbraw/zinc/50/41/84/939504184.db2.gz SBTLVOHKVIYFGY-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001481061420 939544469 /nfs/dbraw/zinc/54/44/69/939544469.db2.gz WOUZUQYYQJVGJN-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001481069927 939547521 /nfs/dbraw/zinc/54/75/21/939547521.db2.gz DDHITQTXADLNTE-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001481357872 939758856 /nfs/dbraw/zinc/75/88/56/939758856.db2.gz HRDSGKYLCZRWIO-INIZCTEOSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001268220024 939994151 /nfs/dbraw/zinc/99/41/51/939994151.db2.gz REPBFAUFKRADGV-JKSUJKDBSA-N 2 0 309.454 0.708 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCO)CC1 ZINC001268293379 940026617 /nfs/dbraw/zinc/02/66/17/940026617.db2.gz BKWKFKUHRAATBP-HOTGVXAUSA-N 2 0 307.438 0.198 20 30 DCEDRP CC[C@@H](C(=O)N[C@@](C)(C[NH2+]CC#CCOC)C1CC1)[NH+](C)C ZINC001481943033 940191373 /nfs/dbraw/zinc/19/13/73/940191373.db2.gz YTXCMGSBNTZNGY-RDJZCZTQSA-N 2 0 309.454 0.851 20 30 DCEDRP CC#CC[NH2+]C[C@@](C)(NC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001481948390 940193339 /nfs/dbraw/zinc/19/33/39/940193339.db2.gz OJDSHUOWNQOUMG-GOSISDBHSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCOC[C@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001246021556 945318898 /nfs/dbraw/zinc/31/88/98/945318898.db2.gz SWLDQTWVYNKEAU-CABCVRRESA-N 2 0 313.442 0.260 20 30 DCEDRP COCC#CCN1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269097040 940617787 /nfs/dbraw/zinc/61/77/87/940617787.db2.gz NLJVRUCSMVKGNO-IRXDYDNUSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CCCOC)C2)CC1 ZINC001269296326 940674564 /nfs/dbraw/zinc/67/45/64/940674564.db2.gz MARBMZPHPGJHLP-KRWDZBQOSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H](C)C1 ZINC001269981434 940810096 /nfs/dbraw/zinc/81/00/96/940810096.db2.gz LSAOOCCKVLLOTL-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001271964842 941493595 /nfs/dbraw/zinc/49/35/95/941493595.db2.gz GGPCXFGUGSKDQE-YOEHRIQHSA-N 2 0 318.421 0.575 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC#CCOC)CC1 ZINC001483794167 942957692 /nfs/dbraw/zinc/95/76/92/942957692.db2.gz DTHOBVSYRSNFAR-HNNXBMFYSA-N 2 0 307.438 0.749 20 30 DCEDRP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)CCc2nccn2C)C1 ZINC001484439389 943392319 /nfs/dbraw/zinc/39/23/19/943392319.db2.gz BHIWPGGEMTUXKN-KRWDZBQOSA-N 2 0 318.421 0.319 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)c2ccn(CC[NH+](C)C)n2)CCC1 ZINC001484634778 943482760 /nfs/dbraw/zinc/48/27/60/943482760.db2.gz VSIQWJZZFLVUGD-UHFFFAOYSA-N 2 0 303.410 0.320 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001484963128 943634449 /nfs/dbraw/zinc/63/44/49/943634449.db2.gz LWLKFRWQGYLBHI-UHFFFAOYSA-N 2 0 309.454 0.685 20 30 DCEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001486221534 944660237 /nfs/dbraw/zinc/66/02/37/944660237.db2.gz SVPXHMYFTJPMJW-RDJZCZTQSA-N 2 0 301.434 0.839 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001316961961 944686699 /nfs/dbraw/zinc/68/66/99/944686699.db2.gz HCQNRZCCRSQDDA-MRXNPFEDSA-N 2 0 308.470 0.330 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001317082643 944785725 /nfs/dbraw/zinc/78/57/25/944785725.db2.gz QMPBGAKMVAPZFB-KKUMJFAQSA-N 2 0 322.453 0.400 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCC[NH2+]C[C@@H](C)O)CC1 ZINC001277364033 944786484 /nfs/dbraw/zinc/78/64/84/944786484.db2.gz YJWCTHCAHRWVRN-HUUCEWRRSA-N 2 0 309.454 0.587 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCCOC)C2)CC1 ZINC001317092681 944791728 /nfs/dbraw/zinc/79/17/28/944791728.db2.gz FXVKONLZWATYFX-WKILWMFISA-N 2 0 307.438 0.605 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[N@H+](C)CCC=C)CC1 ZINC001486359550 944821963 /nfs/dbraw/zinc/82/19/63/944821963.db2.gz YRXLNTZPCLMJDO-KRWDZBQOSA-N 2 0 321.465 0.659 20 30 DCEDRP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001277646598 944927742 /nfs/dbraw/zinc/92/77/42/944927742.db2.gz IUMQARFVYQFPLL-MRXNPFEDSA-N 2 0 317.437 0.518 20 30 DCEDRP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246303149 945381446 /nfs/dbraw/zinc/38/14/46/945381446.db2.gz GBQUPFCSLITNBP-CYBMUJFWSA-N 2 0 302.378 0.273 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]C[C@@H]2CCOC2)CC1 ZINC001319285609 945540928 /nfs/dbraw/zinc/54/09/28/945540928.db2.gz NHKBOPRYRKEVSD-HOTGVXAUSA-N 2 0 321.465 0.710 20 30 DCEDRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC#CCOC)C1 ZINC001278608355 945684539 /nfs/dbraw/zinc/68/45/39/945684539.db2.gz LADMAEUCAHNAFP-CVEARBPZSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CCOC[C@H](O)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001251884713 945810105 /nfs/dbraw/zinc/81/01/05/945810105.db2.gz FDSVHTSFKXOPPY-MRXNPFEDSA-N 2 0 306.406 0.727 20 30 DCEDRP C#CCOC[C@H](O)C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC001251896143 945811846 /nfs/dbraw/zinc/81/18/46/945811846.db2.gz BIPQFZKOTHCCEG-QGZVFWFLSA-N 2 0 310.438 0.478 20 30 DCEDRP CC#CC[NH2+]CCN(CC)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001320767706 946010151 /nfs/dbraw/zinc/01/01/51/946010151.db2.gz UCUDHRMVALWQPK-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C)CC1(C)C ZINC001278690133 946046526 /nfs/dbraw/zinc/04/65/26/946046526.db2.gz OMFDFQIGGAFIAJ-OAHLLOKOSA-N 2 0 318.421 0.668 20 30 DCEDRP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001324559141 947457687 /nfs/dbraw/zinc/45/76/87/947457687.db2.gz BFFYHPDVGRBDFR-KRWDZBQOSA-N 2 0 320.481 0.570 20 30 DCEDRP C#CC[NH2+]C[C@]1(C)CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001324803803 947535912 /nfs/dbraw/zinc/53/59/12/947535912.db2.gz MMDXISZSIHKGJH-KRWDZBQOSA-N 2 0 307.438 0.559 20 30 DCEDRP C[NH+]1CCN(CCC[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC001326292383 948122640 /nfs/dbraw/zinc/12/26/40/948122640.db2.gz JLTHRGRDZWZECX-UHFFFAOYSA-N 2 0 313.409 0.328 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)c2cnn(CC[NH+](C)C)c2)CCC1 ZINC001326898191 948321829 /nfs/dbraw/zinc/32/18/29/948321829.db2.gz DWUWQCPSKHWTBI-UHFFFAOYSA-N 2 0 317.437 0.710 20 30 DCEDRP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001327565573 948553140 /nfs/dbraw/zinc/55/31/40/948553140.db2.gz VVRLJOWVDBQEQS-FUHWJXTLSA-N 2 0 321.465 0.847 20 30 DCEDRP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001327577228 948557668 /nfs/dbraw/zinc/55/76/68/948557668.db2.gz LLPFYQLDSFOSEF-WBVHZDCISA-N 2 0 309.454 0.990 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001327603295 948567368 /nfs/dbraw/zinc/56/73/68/948567368.db2.gz LXRRIFYWDRQUTJ-RDJZCZTQSA-N 2 0 309.454 0.539 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001264008352 948829961 /nfs/dbraw/zinc/82/99/61/948829961.db2.gz MHWMOYVSEMOVAH-ZACQAIPSSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001264122807 948898423 /nfs/dbraw/zinc/89/84/23/948898423.db2.gz UJSFWVBSPZQOJI-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001264393590 948958151 /nfs/dbraw/zinc/95/81/51/948958151.db2.gz DTUZBLSBUDJPGS-GASCZTMLSA-N 2 0 307.438 0.605 20 30 DCEDRP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001264634143 949042388 /nfs/dbraw/zinc/04/23/88/949042388.db2.gz KHHFXVSGSMNDSD-IAGOWNOFSA-N 2 0 321.465 0.637 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCOCC)C2)CC1 ZINC001488805355 949200509 /nfs/dbraw/zinc/20/05/09/949200509.db2.gz QLQANLBOWDTYGF-WOVMCDHWSA-N 2 0 321.465 0.853 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001265597226 949800760 /nfs/dbraw/zinc/80/07/60/949800760.db2.gz SZPGIQABNUZULA-IRXDYDNUSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001265597520 949804405 /nfs/dbraw/zinc/80/44/05/949804405.db2.gz ZWOLTBIIFLOHFD-HZPDHXFCSA-N 2 0 307.438 0.416 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001265874502 950074350 /nfs/dbraw/zinc/07/43/50/950074350.db2.gz FVBMKIOHHXVBOI-GJZGRUSLSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266144544 950415567 /nfs/dbraw/zinc/41/55/67/950415567.db2.gz UJDXHNXDLDIDTQ-UKRRQHHQSA-N 2 0 322.453 0.115 20 30 DCEDRP C#CCC[NH2+]C1CC(N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001279300920 950534727 /nfs/dbraw/zinc/53/47/27/950534727.db2.gz HYTYMUWQHCDENJ-UHFFFAOYSA-N 2 0 317.437 0.661 20 30 DCEDRP COCC#CC[N@H+](C)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001331054075 950861071 /nfs/dbraw/zinc/86/10/71/950861071.db2.gz OXNLDTRZUVBMGL-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001331642705 951215695 /nfs/dbraw/zinc/21/56/95/951215695.db2.gz BXJIAQVNGMINHN-GJZGRUSLSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CC[NH2+][C@H](CO)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001331757877 951297078 /nfs/dbraw/zinc/29/70/78/951297078.db2.gz NLNXVMDWYSESMQ-HNNXBMFYSA-N 2 0 303.406 0.104 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC#CCOC)C[C@H]1C ZINC001332050469 951453683 /nfs/dbraw/zinc/45/36/83/951453683.db2.gz PJXVKABHYUCWIB-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001274558092 951697545 /nfs/dbraw/zinc/69/75/45/951697545.db2.gz FTLMDWGWGVUENY-UHFFFAOYSA-N 2 0 309.454 0.541 20 30 DCEDRP C=C[C@](C)(O)C[N@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274614347 951740048 /nfs/dbraw/zinc/74/00/48/951740048.db2.gz FLVAPXNWGZIKTR-DLBZAZTESA-N 2 0 323.437 0.326 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)CC#CCOC)CC[N@@H+]1C ZINC001275835426 952485871 /nfs/dbraw/zinc/48/58/71/952485871.db2.gz MJSBNRIZXNKYIM-OWCLPIDISA-N 2 0 309.454 0.803 20 30 DCEDRP CC#CC[N@H+](C)[C@@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001275955223 952558725 /nfs/dbraw/zinc/55/87/25/952558725.db2.gz IPDGZBQYSUKAPM-AWEZNQCLSA-N 2 0 305.426 0.518 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCc2[nH]cnc2[C@]12CC[NH2+]C2 ZINC001342564067 953295965 /nfs/dbraw/zinc/29/59/65/953295965.db2.gz FBBWXHWMOXLMPT-MLGOLLRUSA-N 2 0 303.410 0.667 20 30 DCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001281810169 953370860 /nfs/dbraw/zinc/37/08/60/953370860.db2.gz QFVYMVXGFVIUMM-INIZCTEOSA-N 2 0 321.465 0.826 20 30 DCEDRP CC#CC[NH+]1CCC(CO)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001281818477 953375126 /nfs/dbraw/zinc/37/51/26/953375126.db2.gz ZVFHXMSDVVBHRO-OAHLLOKOSA-N 2 0 307.438 0.295 20 30 DCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@@H]1C ZINC001283868593 954680799 /nfs/dbraw/zinc/68/07/99/954680799.db2.gz MJNCDBLZIAKMTB-CABCVRRESA-N 2 0 317.437 0.661 20 30 DCEDRP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1cncn1C ZINC001284517154 955150869 /nfs/dbraw/zinc/15/08/69/955150869.db2.gz SDCBVDUEZKUDPU-HNNXBMFYSA-N 2 0 306.410 0.127 20 30 DCEDRP C[NH+]1CCN(C2CC[NH+](C[C@@H](O)CC3(C#N)CC3)CC2)CC1 ZINC001414024967 957681257 /nfs/dbraw/zinc/68/12/57/957681257.db2.gz DYLDCNFSZNEXLF-INIZCTEOSA-N 2 0 306.454 0.753 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCO1 ZINC001368506406 959954438 /nfs/dbraw/zinc/95/44/38/959954438.db2.gz FFYHCLMWFIZKRD-CHWSQXEVSA-N 2 0 303.834 0.896 20 30 DCEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1OCC ZINC001316694686 960117526 /nfs/dbraw/zinc/11/75/26/960117526.db2.gz YDSQTKHPNWSVGG-ARFHVFGLSA-N 2 0 309.454 0.967 20 30 DCEDRP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001316749199 960363041 /nfs/dbraw/zinc/36/30/41/960363041.db2.gz SQFHBXKDVUHYEL-JKSUJKDBSA-N 2 0 307.438 0.247 20 30 DCEDRP COCC#CC[N@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001316824401 960397156 /nfs/dbraw/zinc/39/71/56/960397156.db2.gz RACINLOEJXIITD-INIZCTEOSA-N 2 0 307.438 0.416 20 30 DCEDRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001379281670 962534230 /nfs/dbraw/zinc/53/42/30/962534230.db2.gz FEDFWGGWYPMJEV-VXGBXAGGSA-N 2 0 322.434 0.138 20 30 DCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC001369349771 964799868 /nfs/dbraw/zinc/79/98/68/964799868.db2.gz FODIARMRNAEMRQ-JKSUJKDBSA-N 2 0 316.405 0.219 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001392398083 991871727 /nfs/dbraw/zinc/87/17/27/991871727.db2.gz XYULODXYKRTIQJ-AWEZNQCLSA-N 2 0 322.384 0.216 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C[NH2+]CCO)C2CC2)CC1 ZINC001507034108 1015908416 /nfs/dbraw/zinc/90/84/16/1015908416.db2.gz CMCPFTIENZKFHQ-MRXNPFEDSA-N 2 0 307.438 0.151 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001507072617 1015954483 /nfs/dbraw/zinc/95/44/83/1015954483.db2.gz VZKJOAZUMYBAGL-HUUCEWRRSA-N 2 0 322.453 0.045 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCOCC1 ZINC001502644087 1016012004 /nfs/dbraw/zinc/01/20/04/1016012004.db2.gz VJDLRAUBQIDWMI-HUUCEWRRSA-N 2 0 307.438 0.747 20 30 DCEDRP C#CCC[NH2+][C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1C ZINC001502745418 1016050458 /nfs/dbraw/zinc/05/04/58/1016050458.db2.gz UWYFDEURYJBDSV-HOCLYGCPSA-N 2 0 317.437 0.518 20 30 DCEDRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC#CC[NH+](C)C)CC1 ZINC001468799923 1016280694 /nfs/dbraw/zinc/28/06/94/1016280694.db2.gz WPDTUEYEAKVAPR-INIZCTEOSA-N 2 0 323.485 0.124 20 30 DCEDRP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001505606968 1016352115 /nfs/dbraw/zinc/35/21/15/1016352115.db2.gz YNYWSUDSGLBTCF-UONOGXRCSA-N 2 0 305.426 0.564 20 30 DCEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001507528672 1016445651 /nfs/dbraw/zinc/44/56/51/1016445651.db2.gz JCPJFULVGAHRBM-IRXDYDNUSA-N 2 0 317.433 0.722 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001420209100 1002042003 /nfs/dbraw/zinc/04/20/03/1002042003.db2.gz GZHBJTDBLLMEDG-ZIAGYGMSSA-N 2 0 317.861 0.926 20 30 DCEDRP C=CCC[C@H](C)[NH+]1CC(CCO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001506124776 1017045896 /nfs/dbraw/zinc/04/58/96/1017045896.db2.gz UHXWQGYICGWINX-HNNXBMFYSA-N 2 0 321.465 0.990 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001506872961 1017628079 /nfs/dbraw/zinc/62/80/79/1017628079.db2.gz TUHXUXZREXYXOO-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001479770360 1017727004 /nfs/dbraw/zinc/72/70/04/1017727004.db2.gz CHRQDGLDEFSBBR-RBSFLKMASA-N 2 0 324.469 0.455 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001497032567 1017761359 /nfs/dbraw/zinc/76/13/59/1017761359.db2.gz KOHJHNZBLNEUSB-GFCCVEGCSA-N 2 0 303.834 0.680 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001499422770 1017924600 /nfs/dbraw/zinc/92/46/00/1017924600.db2.gz YEBWDZWBBCFEIQ-CVEARBPZSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]C[C@@H]3CCOC3)CC2)CC1 ZINC001499459353 1017939997 /nfs/dbraw/zinc/93/99/97/1017939997.db2.gz XKAGKUVAPKBPAX-HNNXBMFYSA-N 2 0 319.449 0.607 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C2(CNC(=O)C[N@@H+](C)C(C)C)CC2)C1=O ZINC001499458871 1017942047 /nfs/dbraw/zinc/94/20/47/1017942047.db2.gz QQDHHVRFXKONEC-CQSZACIVSA-N 2 0 322.453 0.352 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497191754 1017958856 /nfs/dbraw/zinc/95/88/56/1017958856.db2.gz CZNKURQTHHZGMV-MGPQQGTHSA-N 2 0 310.442 0.113 20 30 DCEDRP C=CCCC[NH+]1CCN(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001479940939 1018010484 /nfs/dbraw/zinc/01/04/84/1018010484.db2.gz CVQCASDHZPJXBZ-UHFFFAOYSA-N 2 0 308.470 0.782 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001480111123 1018212953 /nfs/dbraw/zinc/21/29/53/1018212953.db2.gz BVBFNFRUNIIFML-KBPBESRZSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001500171465 1018269627 /nfs/dbraw/zinc/26/96/27/1018269627.db2.gz VNUYTOUFIFFEMB-MRXNPFEDSA-N 2 0 306.454 0.180 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+]CCOC)CCCC2)CC1 ZINC001495210616 1018395524 /nfs/dbraw/zinc/39/55/24/1018395524.db2.gz ITTRIBKOSZWQGO-UHFFFAOYSA-N 2 0 321.465 0.997 20 30 DCEDRP CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CC#CCOC)C1)[NH+](C)C ZINC001480303978 1018412359 /nfs/dbraw/zinc/41/23/59/1018412359.db2.gz VKLBPXDUPCTJNJ-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001500402544 1018441166 /nfs/dbraw/zinc/44/11/66/1018441166.db2.gz VGWCOJUMPSTFTR-WBVHZDCISA-N 2 0 307.438 0.416 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001480411214 1018506920 /nfs/dbraw/zinc/50/69/20/1018506920.db2.gz IOAIGBUTWHHOCK-UHFFFAOYSA-N 2 0 322.453 0.401 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001497985994 1018561454 /nfs/dbraw/zinc/56/14/54/1018561454.db2.gz BNDWAKCNIAMJCQ-WCQYABFASA-N 2 0 303.834 0.802 20 30 DCEDRP C=C(Br)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497983784 1018561644 /nfs/dbraw/zinc/56/16/44/1018561644.db2.gz MAHGXXBHTOSCNR-GHMZBOCLSA-N 2 0 304.232 0.941 20 30 DCEDRP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001500736627 1018618884 /nfs/dbraw/zinc/61/88/84/1018618884.db2.gz VWZYULLTRAHNSI-FUHWJXTLSA-N 2 0 321.465 0.826 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001480665096 1018754709 /nfs/dbraw/zinc/75/47/09/1018754709.db2.gz ITDODQCLKRDOGM-HZPDHXFCSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CC[NH2+]C1CCN(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001501258064 1018991230 /nfs/dbraw/zinc/99/12/30/1018991230.db2.gz PKBNKALMIPIGBU-DLBZAZTESA-N 2 0 320.481 0.520 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001493151840 1019149459 /nfs/dbraw/zinc/14/94/59/1019149459.db2.gz QCOFZFDYXAMJKS-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001493224506 1019223023 /nfs/dbraw/zinc/22/30/23/1019223023.db2.gz YQDYOHNBTXKDPP-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001498769038 1019413054 /nfs/dbraw/zinc/41/30/54/1019413054.db2.gz GUDOQPLTZRYSTN-OAHLLOKOSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCNC(=O)CN(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001496706087 1019554401 /nfs/dbraw/zinc/55/44/01/1019554401.db2.gz BKGCLBACSDGNLI-LSDHHAIUSA-N 2 0 324.469 0.409 20 30 DCEDRP [NH2+]=C(NCC1(N2CCOCC2)CCCCC1)N1CCOCC1 ZINC000263279836 238187374 /nfs/dbraw/zinc/18/73/74/238187374.db2.gz ZRRQSQFIDZEQIL-UHFFFAOYSA-N 2 0 310.442 0.668 20 30 DCEDRP COCCNC(=[NH2+])NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000267448694 238225052 /nfs/dbraw/zinc/22/50/52/238225052.db2.gz QVAQZYHWTGLGEN-UHFFFAOYSA-N 2 0 320.437 0.694 20 30 DCEDRP CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000367494799 239147110 /nfs/dbraw/zinc/14/71/10/239147110.db2.gz HPQKQTLXIONAFA-BZUAXINKSA-N 2 0 322.453 0.932 20 30 DCEDRP C=CC[C@]1(C(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)CCC[NH2+]1 ZINC000595957566 396696098 /nfs/dbraw/zinc/69/60/98/396696098.db2.gz VXSUDDQJKZTYID-FUHWJXTLSA-N 2 0 320.481 0.923 20 30 DCEDRP C[NH+]1CC[C@H]2CN(CC#CCN3C[C@H]4CC[N@@H+](C)[C@H]4C3)C[C@H]21 ZINC000625459625 396880971 /nfs/dbraw/zinc/88/09/71/396880971.db2.gz MXQXXMRKCBOYPE-FZDBZEDMSA-N 2 0 302.466 0.262 20 30 DCEDRP C[C@H]([NH3+])CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000591361251 396910574 /nfs/dbraw/zinc/91/05/74/396910574.db2.gz OLBUIRVVFFDNSV-ZDUSSCGKSA-N 2 0 303.410 0.979 20 30 DCEDRP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492881 397192436 /nfs/dbraw/zinc/19/24/36/397192436.db2.gz GIXRWRMGGNLDJC-KGLIPLIRSA-N 2 0 308.426 0.710 20 30 DCEDRP C#CCNC(=O)CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000491202243 397501353 /nfs/dbraw/zinc/50/13/53/397501353.db2.gz NAAFPIGMGQLLFH-JKSUJKDBSA-N 2 0 306.454 0.084 20 30 DCEDRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)[C@H](C)C1 ZINC000329427259 416169915 /nfs/dbraw/zinc/16/99/15/416169915.db2.gz JCUWHQIOSKTHKK-KNCOVGOOSA-N 2 0 324.469 0.770 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000491634314 416608755 /nfs/dbraw/zinc/60/87/55/416608755.db2.gz RBWFRRZKOATKAG-UHFFFAOYSA-N 2 0 323.485 0.220 20 30 DCEDRP C#CC[NH+](C)CCCNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000491652939 416610128 /nfs/dbraw/zinc/61/01/28/416610128.db2.gz BCBBMASUAPIKPX-MRXNPFEDSA-N 2 0 324.469 0.742 20 30 DCEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@H]1COCC[NH2+]1)C(C)C ZINC000626937143 417176693 /nfs/dbraw/zinc/17/66/93/417176693.db2.gz OYJAPEVMXBUFIW-CVEARBPZSA-N 2 0 324.469 0.973 20 30 DCEDRP C=CC[C@@]1(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCC[NH2+]1 ZINC000662749568 417885184 /nfs/dbraw/zinc/88/51/84/417885184.db2.gz FAFYOHLCJMLRHM-WBVHZDCISA-N 2 0 307.438 0.865 20 30 DCEDRP C=CC[C@@]1(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000662820252 417917084 /nfs/dbraw/zinc/91/70/84/417917084.db2.gz RVNDWUSUNGYTEV-LZWOXQAQSA-N 2 0 303.410 0.372 20 30 DCEDRP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](N3CCOCC3)CC2)C1=O ZINC000660476758 418261903 /nfs/dbraw/zinc/26/19/03/418261903.db2.gz FKSLHVWRQFGHNI-CVEARBPZSA-N 2 0 307.438 0.960 20 30 DCEDRP C[C@@H]1C[N@H+](CC#CC[NH+]2C[C@H](C)C(O)[C@@H](C)C2)C[C@H](C)[C@H]1O ZINC000661620460 418351977 /nfs/dbraw/zinc/35/19/77/418351977.db2.gz AJHCKUHZNSQKIQ-YXISZKLHSA-N 2 0 308.466 0.887 20 30 DCEDRP [NH2+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@H]1CCOc2ccccc21 ZINC000262798460 274931786 /nfs/dbraw/zinc/93/17/86/274931786.db2.gz PZOUZCPEZDQWGX-HIFRSBDPSA-N 2 0 315.421 0.414 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cnc(N(C)C)n1C ZINC000267475319 276184199 /nfs/dbraw/zinc/18/41/99/276184199.db2.gz ZFMCDZLVSIJKIM-LBPRGKRZSA-N 2 0 307.446 0.375 20 30 DCEDRP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000346511274 278148741 /nfs/dbraw/zinc/14/87/41/278148741.db2.gz VVQPSRWWOSIRAH-OAHLLOKOSA-N 2 0 321.469 0.507 20 30 DCEDRP CC[C@@H]1CN(C(NC[C@H]2C[N@H+](C)CCN2C)=[NH+]C)CCS1 ZINC000261937926 280339988 /nfs/dbraw/zinc/33/99/88/280339988.db2.gz MHEYBEFBCAKXJI-UONOGXRCSA-N 2 0 313.515 0.635 20 30 DCEDRP C[NH+]=C(NC[C@@H]1CCOC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000262805539 526371379 /nfs/dbraw/zinc/37/13/79/526371379.db2.gz SQWUENRDJIWCOH-HNNXBMFYSA-N 2 0 324.469 0.833 20 30 DCEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCN(C2CC2)C1 ZINC000262742667 526371605 /nfs/dbraw/zinc/37/16/05/526371605.db2.gz FBCOJKCJPNZWOK-KBPBESRZSA-N 2 0 305.470 0.872 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000364097050 526920932 /nfs/dbraw/zinc/92/09/32/526920932.db2.gz RFEDQEMGNSDANZ-SJORKVTESA-N 2 0 319.449 0.389 20 30 DCEDRP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC000978644318 660579784 /nfs/dbraw/zinc/57/97/84/660579784.db2.gz ZNXNHTIUVCDKOS-NXOAAHMSSA-N 2 0 319.449 0.413 20 30 DCEDRP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000981381889 661141548 /nfs/dbraw/zinc/14/15/48/661141548.db2.gz JSKAVBOSBWIJTM-JKSUJKDBSA-N 2 0 317.437 0.709 20 30 DCEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000970728261 657837163 /nfs/dbraw/zinc/83/71/63/657837163.db2.gz WXBLDUCZDJQFHJ-TZMCWYRMSA-N 2 0 315.845 0.898 20 30 DCEDRP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001023447079 657875494 /nfs/dbraw/zinc/87/54/94/657875494.db2.gz FIXMBKOBORANOX-HUUCEWRRSA-N 2 0 300.406 0.907 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+]([C@H](C)COC)C2)CC1 ZINC000970922630 658084207 /nfs/dbraw/zinc/08/42/07/658084207.db2.gz ZUIBSEJTMCEVCX-CABCVRRESA-N 2 0 321.465 0.803 20 30 DCEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000970924886 658085459 /nfs/dbraw/zinc/08/54/59/658085459.db2.gz MRJBPQORKBHZSP-HNNXBMFYSA-N 2 0 301.434 0.791 20 30 DCEDRP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000972640871 658142903 /nfs/dbraw/zinc/14/29/03/658142903.db2.gz NMWJAUVISQLVPN-SFHVURJKSA-N 2 0 319.449 0.962 20 30 DCEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001023757865 658210802 /nfs/dbraw/zinc/21/08/02/658210802.db2.gz PIACNYPSAITNQD-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000970170215 658688114 /nfs/dbraw/zinc/68/81/14/658688114.db2.gz QJAJVTIODZKTIE-GEMJLEDKSA-N 2 0 319.449 0.862 20 30 DCEDRP C=CCN1CCO[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972411020 658735408 /nfs/dbraw/zinc/73/54/08/658735408.db2.gz VTKNHKDVPSLWBZ-WBVHZDCISA-N 2 0 307.438 0.816 20 30 DCEDRP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931485699 659454703 /nfs/dbraw/zinc/45/47/03/659454703.db2.gz BOBYSZAIXUTYIL-OAHLLOKOSA-N 2 0 309.454 0.964 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)C[N@H+]1CC[C@H](C)C1)CCO2 ZINC000949188892 661370711 /nfs/dbraw/zinc/37/07/11/661370711.db2.gz DPGSSIAHKXPAKC-INIZCTEOSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CCN1CCC[C@H](NC(=O)N[C@@H](CC)CN2CCOCC2)C1 ZINC000924034923 661390283 /nfs/dbraw/zinc/39/02/83/661390283.db2.gz GFDHOCNKCWLAKW-HOTGVXAUSA-N 2 0 322.453 0.494 20 30 DCEDRP N#Cc1ccc(NCC[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)nc1 ZINC000925892868 661393931 /nfs/dbraw/zinc/39/39/31/661393931.db2.gz GUXSXAOMCLRUOS-HOCLYGCPSA-N 2 0 301.394 0.722 20 30 DCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001028551878 661605651 /nfs/dbraw/zinc/60/56/51/661605651.db2.gz AKPYUPXHHXICEX-CZUORRHYSA-N 2 0 315.421 0.861 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001028857171 661852594 /nfs/dbraw/zinc/85/25/94/661852594.db2.gz VAQFDHYUGYOVEG-AWEZNQCLSA-N 2 0 303.410 0.130 20 30 DCEDRP C[NH+](C)[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)C1CC1 ZINC000261995693 661948876 /nfs/dbraw/zinc/94/88/76/661948876.db2.gz NQNQRJUIFAFYJQ-CQSZACIVSA-N 2 0 317.441 0.254 20 30 DCEDRP C#CCC[NH+]1CCC(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000896520641 662279300 /nfs/dbraw/zinc/27/93/00/662279300.db2.gz KRIFAAQFZHQBEA-MRXNPFEDSA-N 2 0 305.422 0.311 20 30 DCEDRP C#CCOCCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000753384814 662788963 /nfs/dbraw/zinc/78/89/63/662788963.db2.gz SFSFIOYXNSTAPQ-INIZCTEOSA-N 2 0 324.469 0.694 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000906649519 663626955 /nfs/dbraw/zinc/62/69/55/663626955.db2.gz FQLWZJSLSZTWMZ-UHFFFAOYSA-N 2 0 316.405 0.850 20 30 DCEDRP C=C(C)C[NH+]1CC(CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001031677809 665284258 /nfs/dbraw/zinc/28/42/58/665284258.db2.gz YASUNCDZTAXUNX-UHFFFAOYSA-N 2 0 305.426 0.682 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490520 666731022 /nfs/dbraw/zinc/73/10/22/666731022.db2.gz SPPSJVHDPUAPKC-INIZCTEOSA-N 2 0 317.437 0.614 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000862214777 667031403 /nfs/dbraw/zinc/03/14/03/667031403.db2.gz FDANVKOCOBOEII-UHFFFAOYSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001034654046 667091405 /nfs/dbraw/zinc/09/14/05/667091405.db2.gz WOLLSELWLHKNEH-VGWMRTNUSA-N 2 0 305.422 0.500 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(C[NH+](CCO)C3)CC2)CC1 ZINC001035855858 667414728 /nfs/dbraw/zinc/41/47/28/667414728.db2.gz ANKNVDNUHUMLFT-UHFFFAOYSA-N 2 0 319.449 0.248 20 30 DCEDRP C#CCN1CCC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000884197729 667495595 /nfs/dbraw/zinc/49/55/95/667495595.db2.gz CRELHUYXIZJVMJ-GJZGRUSLSA-N 2 0 304.438 0.868 20 30 DCEDRP C=CCN(C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000923308728 667504260 /nfs/dbraw/zinc/50/42/60/667504260.db2.gz FTZDPOGIQVBGBR-CHWSQXEVSA-N 2 0 300.424 0.040 20 30 DCEDRP C[NH+]1CCC(n2cc(NC(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)cn2)CC1 ZINC000868189324 667541145 /nfs/dbraw/zinc/54/11/45/667541145.db2.gz AHAMICCKWCJVOX-BXUZGUMPSA-N 2 0 317.397 0.383 20 30 DCEDRP N#Cc1ccc(NCC[NH2+][C@@H]2[C@@H]3COC[C@H]2C[C@H]([NH3+])C3)nc1 ZINC000925892829 668354878 /nfs/dbraw/zinc/35/48/78/668354878.db2.gz FZEQLIYCWOAFLG-XBRFFFJOSA-N 2 0 301.394 0.707 20 30 DCEDRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCO1 ZINC000876543918 668463173 /nfs/dbraw/zinc/46/31/73/668463173.db2.gz OXLNXSGDDNBTKP-UVBJJODRSA-N 2 0 314.389 0.320 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000876712751 668493386 /nfs/dbraw/zinc/49/33/86/668493386.db2.gz JIJZOKFJOBAYFF-QWHCGFSZSA-N 2 0 303.834 0.929 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000876775635 668507779 /nfs/dbraw/zinc/50/77/79/668507779.db2.gz CCJJMRJQDNGXEO-QWHCGFSZSA-N 2 0 301.818 0.637 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000876780379 668509619 /nfs/dbraw/zinc/50/96/19/668509619.db2.gz GAPWMORMYXOUDP-ZDUSSCGKSA-N 2 0 302.850 0.600 20 30 DCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000876857473 668522296 /nfs/dbraw/zinc/52/22/96/668522296.db2.gz SDDWVEHPJHPOIR-XIRDDKMYSA-N 2 0 310.401 0.955 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877327968 668602129 /nfs/dbraw/zinc/60/21/29/668602129.db2.gz ZXZHDHWBCDSLNS-NEPJUHHUSA-N 2 0 301.818 0.731 20 30 DCEDRP CC[N@@H+]1CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)[C@H](C)C1 ZINC000772985496 668790693 /nfs/dbraw/zinc/79/06/93/668790693.db2.gz SFNAWNZKCSFNJW-JJLJGCLUSA-N 2 0 306.410 0.833 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000931126115 669139438 /nfs/dbraw/zinc/13/94/38/669139438.db2.gz DAHRZJIOVCRKPJ-UHFFFAOYSA-N 2 0 318.425 0.836 20 30 DCEDRP C#CCOc1ccc([C@@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)cc1 ZINC000817945357 670956079 /nfs/dbraw/zinc/95/60/79/670956079.db2.gz ADLAWASRQDMMBY-CQSZACIVSA-N 2 0 301.390 0.781 20 30 DCEDRP COCCC[NH+]1CCC(NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852864768 671179066 /nfs/dbraw/zinc/17/90/66/671179066.db2.gz HPBMSUSRBUWWCN-UHFFFAOYSA-N 2 0 307.438 0.607 20 30 DCEDRP C=CCN1CCN(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1=O ZINC000872636034 685395416 /nfs/dbraw/zinc/39/54/16/685395416.db2.gz GALYMCNECNIOKR-HZPDHXFCSA-N 2 0 323.485 0.539 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000303876873 685206995 /nfs/dbraw/zinc/20/69/95/685206995.db2.gz FBWSKWUXIIBXBE-JKSUJKDBSA-N 3 0 324.517 0.401 20 30 DCEDRP CCOCCCNC(=[NH2+])NCC1([NH+]2CCCC2)CCOCC1 ZINC000304753052 685212006 /nfs/dbraw/zinc/21/20/06/685212006.db2.gz KTTGRFNFYFTYDR-UHFFFAOYSA-N 2 0 312.458 0.962 20 30 DCEDRP C=CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000958481154 687694578 /nfs/dbraw/zinc/69/45/78/687694578.db2.gz NLOYMNMPMWNZBJ-SJORKVTESA-N 2 0 317.433 0.957 20 30 DCEDRP C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000958581156 687769401 /nfs/dbraw/zinc/76/94/01/687769401.db2.gz MVKOECVUYFGVGL-IRXDYDNUSA-N 2 0 319.449 0.151 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CC(=C)C)C[C@H]2O)CC1 ZINC000958724587 687878611 /nfs/dbraw/zinc/87/86/11/687878611.db2.gz QMQMDYXJNNMNSC-DLBZAZTESA-N 2 0 319.449 0.317 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC4CC4)C[C@H]32)CC1 ZINC000962780107 688978361 /nfs/dbraw/zinc/97/83/61/688978361.db2.gz SAZJLZVYJAAVJV-FVQHAEBGSA-N 2 0 301.434 0.788 20 30 DCEDRP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001073661780 694761674 /nfs/dbraw/zinc/76/16/74/694761674.db2.gz COOWSAINBFFUKK-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073862871 694793799 /nfs/dbraw/zinc/79/37/99/694793799.db2.gz ZFKPACLNHGTWQN-OAHLLOKOSA-N 2 0 305.422 0.313 20 30 DCEDRP C=CC[NH+]1CCC(CO)(NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001570491857 1162529504 /nfs/dbraw/zinc/52/95/04/1162529504.db2.gz FZUQJXMIQGKFCW-CQSZACIVSA-N 2 0 315.433 0.795 20 30 DCEDRP C#CC[NH2+]CCCOCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001571353594 1162715112 /nfs/dbraw/zinc/71/51/12/1162715112.db2.gz CPEPTCIMXMPAFC-HOTGVXAUSA-N 2 0 307.438 0.749 20 30 DCEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001571443924 1162758712 /nfs/dbraw/zinc/75/87/12/1162758712.db2.gz BCQZAGIWMHIRBN-IAGOWNOFSA-N 2 0 317.433 0.769 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001571490183 1162780758 /nfs/dbraw/zinc/78/07/58/1162780758.db2.gz ANTULCNDMVIUDD-KGLIPLIRSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001571545485 1162803393 /nfs/dbraw/zinc/80/33/93/1162803393.db2.gz CFXCSNFQPYESEX-GJZGRUSLSA-N 2 0 307.438 0.605 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001691798998 1157580415 /nfs/dbraw/zinc/58/04/15/1157580415.db2.gz XYHCDWHJCKQHQC-SJORKVTESA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CC#CC)C2)CC1 ZINC001691128617 1157589511 /nfs/dbraw/zinc/58/95/11/1157589511.db2.gz OTFDLFSMPLSFTA-WOVMCDHWSA-N 2 0 301.434 0.839 20 30 DCEDRP Cn1c(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)ccc1[C@H]1CCCC[NH2+]1 ZINC001648979068 1158265652 /nfs/dbraw/zinc/26/56/52/1158265652.db2.gz GVIYHVVBHNEQJF-YNEHKIRRSA-N 2 0 301.394 0.681 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2ocnc2C)CC1 ZINC001691623134 1158362456 /nfs/dbraw/zinc/36/24/56/1158362456.db2.gz MIOFZODOTQEZII-UHFFFAOYSA-N 2 0 318.421 0.876 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001566768289 1159848456 /nfs/dbraw/zinc/84/84/56/1159848456.db2.gz HIYYWOHXETWBDL-IRXDYDNUSA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001566036265 1159951567 /nfs/dbraw/zinc/95/15/67/1159951567.db2.gz XMYRZSGXXGQKFP-MRXNPFEDSA-N 2 0 309.454 0.637 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]C[C@H](CC)OC)CC1 ZINC001567082722 1160233120 /nfs/dbraw/zinc/23/31/20/1160233120.db2.gz VEZULEJGNJALFG-ZBFHGGJFSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001567143862 1160255570 /nfs/dbraw/zinc/25/55/70/1160255570.db2.gz QPORIZXVVRSASK-CQSZACIVSA-N 2 0 305.426 0.682 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC#CCOC)CC[N@@H+]1C ZINC001567216724 1160276723 /nfs/dbraw/zinc/27/67/23/1160276723.db2.gz XACUORDSKWVVCV-OWCLPIDISA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001568193342 1160595726 /nfs/dbraw/zinc/59/57/26/1160595726.db2.gz AOBWAZDSEMIEAK-HNNXBMFYSA-N 2 0 311.470 0.956 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC#CCOC ZINC001568277373 1160619237 /nfs/dbraw/zinc/61/92/37/1160619237.db2.gz WUJTZQYRBVUOIJ-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001568580435 1160693114 /nfs/dbraw/zinc/69/31/14/1160693114.db2.gz AYSBBKHBMLZTTR-BBWFWOEESA-N 2 0 317.433 0.585 20 30 DCEDRP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001569693724 1161197463 /nfs/dbraw/zinc/19/74/63/1161197463.db2.gz JQHBYLNKLGAOSP-WBVHZDCISA-N 2 0 307.438 0.416 20 30 DCEDRP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001569752954 1161225492 /nfs/dbraw/zinc/22/54/92/1161225492.db2.gz RLPKUFQFJHOFPB-DOTOQJQBSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001569764797 1161233721 /nfs/dbraw/zinc/23/37/21/1161233721.db2.gz FVAVBEWIAUJGJL-GOSISDBHSA-N 2 0 321.465 0.829 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001569839009 1161282579 /nfs/dbraw/zinc/28/25/79/1161282579.db2.gz NAUASBBHQVRVMS-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001569854413 1161285902 /nfs/dbraw/zinc/28/59/02/1161285902.db2.gz BJWZONGJUHXKPS-HOTGVXAUSA-N 2 0 309.454 0.661 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001569856571 1161286623 /nfs/dbraw/zinc/28/66/23/1161286623.db2.gz VITCPHQHOIAINV-CABCVRRESA-N 2 0 324.469 0.313 20 30 DCEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001570160499 1161459962 /nfs/dbraw/zinc/45/99/62/1161459962.db2.gz XXLNCJWGWMPVEZ-HNNXBMFYSA-N 2 0 307.438 0.865 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001570274656 1161531716 /nfs/dbraw/zinc/53/17/16/1161531716.db2.gz IOOGLFDCHMTIBF-SFHVURJKSA-N 2 0 321.465 0.902 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001570290567 1161546200 /nfs/dbraw/zinc/54/62/00/1161546200.db2.gz AIEBKTRJSWLBFA-DOTOQJQBSA-N 2 0 309.454 0.683 20 30 DCEDRP C[NH+](C)CCOc1cc(NC(=O)[C@@H]([NH3+])CCCC#N)ccn1 ZINC001578418854 1165008898 /nfs/dbraw/zinc/00/88/98/1165008898.db2.gz HGEYJBBLZBBEHV-ZDUSSCGKSA-N 2 0 305.382 0.982 20 30 DCEDRP C[N@@H+]1CCCN(CCCNC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC001578530765 1165046794 /nfs/dbraw/zinc/04/67/94/1165046794.db2.gz PZXZYQUMNMTSMC-HNNXBMFYSA-N 2 0 309.458 0.541 20 30 DCEDRP C[N@@H+]1CCCN(CCCNC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC001578530766 1165047173 /nfs/dbraw/zinc/04/71/73/1165047173.db2.gz PZXZYQUMNMTSMC-OAHLLOKOSA-N 2 0 309.458 0.541 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001656138034 1173845147 /nfs/dbraw/zinc/84/51/47/1173845147.db2.gz QRERSSIHNHGMLZ-BBWFWOEESA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCC[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001656860127 1173890624 /nfs/dbraw/zinc/89/06/24/1173890624.db2.gz NMUVEBTWMJIXRC-QGZVFWFLSA-N 2 0 321.465 0.758 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001660934590 1174071631 /nfs/dbraw/zinc/07/16/31/1174071631.db2.gz QGGCRPRUZOIPCT-UHFFFAOYSA-N 2 0 306.454 0.085 20 30 DCEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001661742930 1174154233 /nfs/dbraw/zinc/15/42/33/1174154233.db2.gz HFQCYTHRRPKXAG-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001661895402 1174168679 /nfs/dbraw/zinc/16/86/79/1174168679.db2.gz DZMWDXAOUMQZRN-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001661995225 1174174297 /nfs/dbraw/zinc/17/42/97/1174174297.db2.gz DZACZSSBGGAYEL-LSDHHAIUSA-N 2 0 324.469 0.457 20 30 DCEDRP COCC#CC[NH2+]C1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001662125795 1174182147 /nfs/dbraw/zinc/18/21/47/1174182147.db2.gz AMKUCKFMJJCLGT-UHFFFAOYSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001662686069 1174232099 /nfs/dbraw/zinc/23/20/99/1174232099.db2.gz VQFNFQRULLHVFJ-LSDHHAIUSA-N 2 0 322.453 0.069 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001663645456 1174338069 /nfs/dbraw/zinc/33/80/69/1174338069.db2.gz VHOVIGYCBCNYQV-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001664850056 1174466541 /nfs/dbraw/zinc/46/65/41/1174466541.db2.gz WJCNBQILTIBYII-IRXDYDNUSA-N 2 0 321.465 0.758 20 30 DCEDRP C=CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001672018519 1175063654 /nfs/dbraw/zinc/06/36/54/1175063654.db2.gz GVEVVJGIGCXMHE-RDJZCZTQSA-N 2 0 309.454 0.847 20 30 DCEDRP C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001672487400 1175115025 /nfs/dbraw/zinc/11/50/25/1175115025.db2.gz TUORZUNUOXEEEF-SJLPKXTDSA-N 2 0 321.465 0.847 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001673671876 1175222489 /nfs/dbraw/zinc/22/24/89/1175222489.db2.gz QGPPYRCTICKVHM-FUHWJXTLSA-N 2 0 321.465 0.826 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001674080656 1175251268 /nfs/dbraw/zinc/25/12/68/1175251268.db2.gz YXPBSQXKFMZKKO-HNNXBMFYSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001674392823 1175273293 /nfs/dbraw/zinc/27/32/93/1175273293.db2.gz BNJPWYAUXRHIFN-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCOCC[NH+]1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001675360409 1175351504 /nfs/dbraw/zinc/35/15/04/1175351504.db2.gz YKYPAPWHMDEHIJ-CABCVRRESA-N 2 0 309.454 0.967 20 30 DCEDRP C=CCOCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001675559976 1175373187 /nfs/dbraw/zinc/37/31/87/1175373187.db2.gz UVPKNCWTHPZCFC-YHUYYLMFSA-N 2 0 307.438 0.435 20 30 DCEDRP CC#CC[NH2+]CCOCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001677519624 1175573525 /nfs/dbraw/zinc/57/35/25/1175573525.db2.gz IGEMRSYXBGGUOD-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1OCC ZINC001689069321 1176688378 /nfs/dbraw/zinc/68/83/78/1176688378.db2.gz FSDORANEMNWVHY-BZUAXINKSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CC[NH+]1CCN(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001690074484 1177162808 /nfs/dbraw/zinc/16/28/08/1177162808.db2.gz FRVJSSLKBUICNA-UHFFFAOYSA-N 2 0 320.481 0.782 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001690155579 1177182289 /nfs/dbraw/zinc/18/22/89/1177182289.db2.gz DRLPQBSTTZEWIK-IRXDYDNUSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001692131577 1177422583 /nfs/dbraw/zinc/42/25/83/1177422583.db2.gz DWFVXPZFOPHUQZ-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001698732184 1177621097 /nfs/dbraw/zinc/62/10/97/1177621097.db2.gz SITHHVVEYLHFDF-KFWWJZLASA-N 2 0 322.453 0.045 20 30 DCEDRP C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001699047783 1177796303 /nfs/dbraw/zinc/79/63/03/1177796303.db2.gz ONRNJWRGOBHUNO-HOCLYGCPSA-N 2 0 309.454 0.894 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001699798720 1178289128 /nfs/dbraw/zinc/28/91/28/1178289128.db2.gz KABPVSIXMQIFSC-SJORKVTESA-N 2 0 321.465 0.853 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001699858343 1178320912 /nfs/dbraw/zinc/32/09/12/1178320912.db2.gz ZBLQMIZAEWLJEC-SFHVURJKSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C)(CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001699866044 1178322186 /nfs/dbraw/zinc/32/21/86/1178322186.db2.gz NTESCRTUGSLJPI-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH2+]C1CCN(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001699995842 1178413386 /nfs/dbraw/zinc/41/33/86/1178413386.db2.gz VNEVRXBPRUXMOM-UHFFFAOYSA-N 2 0 308.470 0.522 20 30 DCEDRP C#CCC[NH2+]CCN(CCO)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001700027439 1178443377 /nfs/dbraw/zinc/44/33/77/1178443377.db2.gz KNMJNKYKWHSGEC-UHFFFAOYSA-N 2 0 309.454 0.685 20 30 DCEDRP C=CCOCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001700089079 1178474748 /nfs/dbraw/zinc/47/47/48/1178474748.db2.gz TYVSMUJKXXYZES-CVEARBPZSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001700308733 1178575214 /nfs/dbraw/zinc/57/52/14/1178575214.db2.gz VSYBFWCEVQISPI-INIZCTEOSA-N 2 0 321.465 0.827 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001700843128 1178775320 /nfs/dbraw/zinc/77/53/20/1178775320.db2.gz SWEVRRARRVRFIQ-UKRRQHHQSA-N 2 0 322.453 0.209 20 30 DCEDRP CC[N@@H+](CC#CCOC)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001713025288 1180634256 /nfs/dbraw/zinc/63/42/56/1180634256.db2.gz ZDQMTVOFEZXDNY-INIZCTEOSA-N 2 0 309.454 0.806 20 30 DCEDRP CC#CCN1CC[NH+](CCCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001713076840 1180669215 /nfs/dbraw/zinc/66/92/15/1180669215.db2.gz HFMHRTNRPRAJAK-INIZCTEOSA-N 2 0 306.454 0.085 20 30 DCEDRP COCC#CC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001713654546 1180999081 /nfs/dbraw/zinc/99/90/81/1180999081.db2.gz FGFIIGVHSZJDEF-HOTGVXAUSA-N 2 0 309.454 0.805 20 30 DCEDRP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001714049781 1181223147 /nfs/dbraw/zinc/22/31/47/1181223147.db2.gz KRBNBTCAABZPKX-DLBZAZTESA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001714151697 1181265894 /nfs/dbraw/zinc/26/58/94/1181265894.db2.gz SBZNYPFFNDNDBG-CQSZACIVSA-N 2 0 322.453 0.259 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001714304996 1181314895 /nfs/dbraw/zinc/31/48/95/1181314895.db2.gz JWYHVHAJMTVACU-HUUCEWRRSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001714381042 1181342970 /nfs/dbraw/zinc/34/29/70/1181342970.db2.gz XEGILIXAXDOJAH-HOTGVXAUSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001714814371 1181560230 /nfs/dbraw/zinc/56/02/30/1181560230.db2.gz JKKAJYYPPMEQNH-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001715249620 1181733659 /nfs/dbraw/zinc/73/36/59/1181733659.db2.gz AEGKUOHYKXMKMT-HNNXBMFYSA-N 2 0 309.454 0.710 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1cncn1C ZINC001715738163 1181967690 /nfs/dbraw/zinc/96/76/90/1181967690.db2.gz CRZDOSWQXPRBPK-INIZCTEOSA-N 2 0 317.437 0.456 20 30 DCEDRP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001716874577 1182555898 /nfs/dbraw/zinc/55/58/98/1182555898.db2.gz MGJXRXMGSPDRPV-SJLPKXTDSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001716964067 1182605062 /nfs/dbraw/zinc/60/50/62/1182605062.db2.gz VXNWQKXUUZGBAJ-HOTGVXAUSA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001717323120 1182780928 /nfs/dbraw/zinc/78/09/28/1182780928.db2.gz PCAOXCVHQAYKSV-UHFFFAOYSA-N 2 0 323.481 0.931 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)C[C@@H](C)OC)CC1 ZINC001717500063 1182867398 /nfs/dbraw/zinc/86/73/98/1182867398.db2.gz OPXXEQVJZVWJSF-HUUCEWRRSA-N 2 0 309.454 0.803 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)C[C@@H](C)OC)CC1 ZINC001717500064 1182867704 /nfs/dbraw/zinc/86/77/04/1182867704.db2.gz OPXXEQVJZVWJSF-LSDHHAIUSA-N 2 0 309.454 0.803 20 30 DCEDRP CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001717784387 1182999965 /nfs/dbraw/zinc/99/99/65/1182999965.db2.gz KGIFIJQNRRCGOF-JKSUJKDBSA-N 2 0 309.454 0.587 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001717801527 1183007487 /nfs/dbraw/zinc/00/74/87/1183007487.db2.gz GNHHRZKPROACPX-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001722992181 1184242970 /nfs/dbraw/zinc/24/29/70/1184242970.db2.gz TUJHYGFUZFJNAU-HUUCEWRRSA-N 2 0 322.453 0.306 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#CCOC)C[C@H]1C ZINC001723874546 1184358018 /nfs/dbraw/zinc/35/80/18/1184358018.db2.gz LTGZHZJFIVATLX-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001725007090 1184654196 /nfs/dbraw/zinc/65/41/96/1184654196.db2.gz HIVHBHIEIOQLTK-BFHYXJOUSA-N 2 0 310.442 0.256 20 30 DCEDRP C=CCOCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001725246241 1184735058 /nfs/dbraw/zinc/73/50/58/1184735058.db2.gz GQMVSUBRRSNPDH-RHSMWYFYSA-N 2 0 321.465 0.967 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001725496956 1184846390 /nfs/dbraw/zinc/84/63/90/1184846390.db2.gz FUZLSYKSCPIKSQ-CQSZACIVSA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001731342038 1185280028 /nfs/dbraw/zinc/28/00/28/1185280028.db2.gz FBIOWYPICMWXPW-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001731404958 1185319821 /nfs/dbraw/zinc/31/98/21/1185319821.db2.gz HYFONDUPLLYPLM-INIZCTEOSA-N 2 0 307.438 0.462 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001731565927 1185392308 /nfs/dbraw/zinc/39/23/08/1185392308.db2.gz WIJPLXNYJGYUBC-JLOCXQCDSA-N 2 0 319.449 0.555 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001731721015 1185457178 /nfs/dbraw/zinc/45/71/78/1185457178.db2.gz VXODRMCKUYOFQF-MRXNPFEDSA-N 2 0 309.454 0.899 20 30 DCEDRP COCC#CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001731885039 1185546888 /nfs/dbraw/zinc/54/68/88/1185546888.db2.gz URDVQBSGOJHEEK-UHFFFAOYSA-N 2 0 305.422 0.313 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001731984265 1185625773 /nfs/dbraw/zinc/62/57/73/1185625773.db2.gz RWDCRAVWEZHJFA-OAHLLOKOSA-N 2 0 324.469 0.411 20 30 DCEDRP C=CCC[NH+]1CCN(CCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001732064080 1185654324 /nfs/dbraw/zinc/65/43/24/1185654324.db2.gz GAKBTBYNEKYGFN-QGZVFWFLSA-N 2 0 322.497 0.980 20 30 DCEDRP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001732421738 1185811810 /nfs/dbraw/zinc/81/18/10/1185811810.db2.gz XEOCSMWSWJGLBV-CQSZACIVSA-N 2 0 305.426 0.518 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]CC#CCOC)CC1 ZINC001732753847 1185949183 /nfs/dbraw/zinc/94/91/83/1185949183.db2.gz IIKVZRBDRJKIOO-MRXNPFEDSA-N 2 0 319.449 0.466 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]C[C@H]2CCCOC2)CC1 ZINC001732984173 1186092580 /nfs/dbraw/zinc/09/25/80/1186092580.db2.gz XWFZEDUMIDEHND-HZPDHXFCSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)COC)CC1 ZINC001733065858 1186125042 /nfs/dbraw/zinc/12/50/42/1186125042.db2.gz JWDSRPWQCUZCHF-GJZGRUSLSA-N 2 0 309.454 0.803 20 30 DCEDRP C#CC[N@@H+](CCOC)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001733280314 1186210249 /nfs/dbraw/zinc/21/02/49/1186210249.db2.gz GVQMVIFIWGTEQT-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001733343624 1186234078 /nfs/dbraw/zinc/23/40/78/1186234078.db2.gz QYZNSDNNVBJODR-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCNC(=O)C[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C1 ZINC001733579445 1186340081 /nfs/dbraw/zinc/34/00/81/1186340081.db2.gz MKCHFACZIUSLEK-GASCZTMLSA-N 2 0 322.453 0.019 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCO1 ZINC001733751323 1186432018 /nfs/dbraw/zinc/43/20/18/1186432018.db2.gz IGBNKIQHCJOMKG-IAGOWNOFSA-N 2 0 321.465 0.947 20 30 DCEDRP CCC1([NH2+]CC#CCOC)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001733804773 1186455216 /nfs/dbraw/zinc/45/52/16/1186455216.db2.gz HLJISSYACHUOJI-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1 ZINC001733829962 1186466089 /nfs/dbraw/zinc/46/60/89/1186466089.db2.gz FZOXZMYZPISVSG-HUUCEWRRSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CC[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001733917993 1186497145 /nfs/dbraw/zinc/49/71/45/1186497145.db2.gz FCSLSXGQJJDANU-JKSUJKDBSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001733982041 1186514681 /nfs/dbraw/zinc/51/46/81/1186514681.db2.gz CBNACOHSTYIAQW-UONOGXRCSA-N 2 0 322.453 0.093 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CC#CC)C2CC2)CC1 ZINC001752500742 1188426047 /nfs/dbraw/zinc/42/60/47/1188426047.db2.gz YPXUXVUIVIMWDJ-QGZVFWFLSA-N 2 0 301.434 0.839 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC#CCOC ZINC001754024929 1188714558 /nfs/dbraw/zinc/71/45/58/1188714558.db2.gz ADZQUEYCAJOLIE-HZPDHXFCSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001754620747 1188891841 /nfs/dbraw/zinc/89/18/41/1188891841.db2.gz ZFVJXCZLAQNLMU-GJZGRUSLSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001754767651 1188930551 /nfs/dbraw/zinc/93/05/51/1188930551.db2.gz UUEXOAFRUBRAQT-GOEBONIOSA-N 2 0 321.465 0.846 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC001755004020 1188992583 /nfs/dbraw/zinc/99/25/83/1188992583.db2.gz YTUOCEOSZUDPJB-HNNXBMFYSA-N 2 0 305.422 0.313 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001755083570 1189016307 /nfs/dbraw/zinc/01/63/07/1189016307.db2.gz UFMJGAGCZGBNRK-GOEBONIOSA-N 2 0 313.417 0.243 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001755090945 1189019517 /nfs/dbraw/zinc/01/95/17/1189019517.db2.gz GKNWWPUBBKQORA-AEFFLSMTSA-N 2 0 321.465 0.683 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001755154193 1189038667 /nfs/dbraw/zinc/03/86/67/1189038667.db2.gz GKODNVUBJDZNEP-HUUCEWRRSA-N 2 0 307.438 0.293 20 30 DCEDRP C=CC[NH+]1CCC(CO)(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001755182071 1189049036 /nfs/dbraw/zinc/04/90/36/1189049036.db2.gz FTCVTXWSWXQYFT-UHFFFAOYSA-N 2 0 309.454 0.992 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001755573081 1189150462 /nfs/dbraw/zinc/15/04/62/1189150462.db2.gz MGSWSZBXPBFWLU-HUUCEWRRSA-N 2 0 322.453 0.067 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106983982 751708693 /nfs/dbraw/zinc/70/86/93/751708693.db2.gz RVSAUEKDYMJYBM-HZPDHXFCSA-N 2 0 307.438 0.416 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001106986340 751711117 /nfs/dbraw/zinc/71/11/17/751711117.db2.gz LAVUJUCYYZMPAK-OWCLPIDISA-N 2 0 309.454 0.825 20 30 DCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001124837626 751721699 /nfs/dbraw/zinc/72/16/99/751721699.db2.gz OVZQPLPZHBUVFL-OAHLLOKOSA-N 2 0 304.369 0.997 20 30 DCEDRP CN1CCO[C@@H](C(=O)NCC[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001125220533 751843462 /nfs/dbraw/zinc/84/34/62/751843462.db2.gz ISWCUXBPHDHHBI-OAHLLOKOSA-N 2 0 320.368 0.234 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001209453547 746999547 /nfs/dbraw/zinc/99/95/47/746999547.db2.gz AHIXUFYRXYXBQJ-GJZGRUSLSA-N 2 0 322.453 0.306 20 30 DCEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609075 752147844 /nfs/dbraw/zinc/14/78/44/752147844.db2.gz BHYBBUDLJXMARD-NVXWUHKLSA-N 2 0 307.438 0.559 20 30 DCEDRP C=C(C)C[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001098561615 747345067 /nfs/dbraw/zinc/34/50/67/747345067.db2.gz IWSASRVBNXSQFC-UHFFFAOYSA-N 2 0 309.454 0.944 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212087 749526218 /nfs/dbraw/zinc/52/62/18/749526218.db2.gz LTNYGPJZBJJTJQ-VXGBXAGGSA-N 2 0 305.344 0.939 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CCCOC)C2)CC1 ZINC001101024957 749957213 /nfs/dbraw/zinc/95/72/13/749957213.db2.gz OGKLZVCKCZOUMX-UHFFFAOYSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC#CC)[C@@H]2C)CC1 ZINC001089060142 750782149 /nfs/dbraw/zinc/78/21/49/750782149.db2.gz VNBQPZQSDRIFNO-WBVHZDCISA-N 2 0 301.434 0.934 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](C[C@H](C)O)C2)CC1 ZINC001046850519 751298764 /nfs/dbraw/zinc/29/87/64/751298764.db2.gz VLNMXLUASQARKF-WMLDXEAASA-N 2 0 307.438 0.293 20 30 DCEDRP C#CCN1C[C@@H](NC(=O)C[N@@H+](C)CCC)CC2(CCOCC2)C1 ZINC001099596429 752604682 /nfs/dbraw/zinc/60/46/82/752604682.db2.gz CEILDGSKOYJXAH-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001203460036 752662447 /nfs/dbraw/zinc/66/24/47/752662447.db2.gz LQJOVXMQCVDPPH-CQSZACIVSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCO)C[C@@H]2C)CC1 ZINC001044872026 752909348 /nfs/dbraw/zinc/90/93/48/752909348.db2.gz MUPYIMBYFWSIHJ-HOCLYGCPSA-N 2 0 307.438 0.293 20 30 DCEDRP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001077978392 752938666 /nfs/dbraw/zinc/93/86/66/752938666.db2.gz FJLUHIUGQYRRML-IAGOWNOFSA-N 2 0 321.465 0.846 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnccc2N(C)C)C1 ZINC001078018050 752984587 /nfs/dbraw/zinc/98/45/87/752984587.db2.gz LCVBSAUTTXSAAO-GDBMZVCRSA-N 2 0 318.421 0.889 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCCO[C@@H](C[NH2+]C(C)C)C2)CC1 ZINC001078510894 753280086 /nfs/dbraw/zinc/28/00/86/753280086.db2.gz DEPDYQLRSMLDJS-KRWDZBQOSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001045663975 753284899 /nfs/dbraw/zinc/28/48/99/753284899.db2.gz UDBBKXKBQMVJPH-HZPDHXFCSA-N 2 0 319.449 0.701 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046010072 753412396 /nfs/dbraw/zinc/41/23/96/753412396.db2.gz HSSUCKWYKUFPFH-SJORKVTESA-N 2 0 318.465 0.322 20 30 DCEDRP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001046009939 753412461 /nfs/dbraw/zinc/41/24/61/753412461.db2.gz GITTWRZBGMZWHL-IAGOWNOFSA-N 2 0 318.465 0.322 20 30 DCEDRP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046501019 753752800 /nfs/dbraw/zinc/75/28/00/753752800.db2.gz HHIGPMKAGDIDQR-FYRJDAGRSA-N 2 0 317.433 0.454 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CC#CC)C2)CC1 ZINC001046850360 753979589 /nfs/dbraw/zinc/97/95/89/753979589.db2.gz UAHJXMVARZEOSC-GOSISDBHSA-N 2 0 301.434 0.936 20 30 DCEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080160842 756117680 /nfs/dbraw/zinc/11/76/80/756117680.db2.gz AEYMUPJIXCKKCA-HCBPCCMXSA-N 2 0 319.449 0.862 20 30 DCEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090393953 757390985 /nfs/dbraw/zinc/39/09/85/757390985.db2.gz RXUOVUFXLIQTNU-CABCVRRESA-N 2 0 305.422 0.190 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CCCO)C[C@H]32)CC1 ZINC001084850200 758085970 /nfs/dbraw/zinc/08/59/70/758085970.db2.gz OVMSRRCTURIGQD-IAGOWNOFSA-N 2 0 319.449 0.247 20 30 DCEDRP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001098368717 762656263 /nfs/dbraw/zinc/65/62/63/762656263.db2.gz XVSLWHIVIHFZRK-KRWDZBQOSA-N 2 0 321.465 0.800 20 30 DCEDRP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001052117843 759190929 /nfs/dbraw/zinc/19/09/29/759190929.db2.gz FCIBETNVXZKCMH-KRWDZBQOSA-N 2 0 318.465 0.324 20 30 DCEDRP C#CCC[N@@H+](CCO)C1CCN(C(=O)CCn2ccnc2)CC1 ZINC001098445196 760268843 /nfs/dbraw/zinc/26/88/43/760268843.db2.gz OACCCBZUNYLCBU-UHFFFAOYSA-N 2 0 318.421 0.582 20 30 DCEDRP C#CC[N@H+]1CCC2(CN(C(=O)COC[C@H](C)[NH+]3CCCC3)C2)C1 ZINC001148305415 767955412 /nfs/dbraw/zinc/95/54/12/767955412.db2.gz ZRIWRCBCNYUMPQ-INIZCTEOSA-N 2 0 319.449 0.655 20 30 DCEDRP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169809705 760869160 /nfs/dbraw/zinc/86/91/60/760869160.db2.gz JHHDUBHYJOWJTP-JKSUJKDBSA-N 2 0 309.454 0.995 20 30 DCEDRP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169809603 760870203 /nfs/dbraw/zinc/87/02/03/760870203.db2.gz JHHDUBHYJOWJTP-HOTGVXAUSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001108756844 761036660 /nfs/dbraw/zinc/03/66/60/761036660.db2.gz XHCPSRHSABWCRW-KKUMJFAQSA-N 2 0 322.453 0.209 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148604223 768018416 /nfs/dbraw/zinc/01/84/16/768018416.db2.gz ACTRPPYYCLSRCU-INIZCTEOSA-N 2 0 319.449 0.512 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001070629915 761362324 /nfs/dbraw/zinc/36/23/24/761362324.db2.gz WSCCJSVFAPGQIZ-RBSFLKMASA-N 2 0 315.421 0.032 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1c1cncn1C ZINC001070661205 761382311 /nfs/dbraw/zinc/38/23/11/761382311.db2.gz YUUYETAHUJJWLW-RBSFLKMASA-N 2 0 317.437 0.278 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1cnccn1 ZINC001129770268 763007257 /nfs/dbraw/zinc/00/72/57/763007257.db2.gz DGLXTUWSPXJRDJ-HIFRSBDPSA-N 2 0 301.394 0.341 20 30 DCEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130009349 763089809 /nfs/dbraw/zinc/08/98/09/763089809.db2.gz KOZFAUNCIWWLHN-ILXRZTDVSA-N 2 0 320.441 0.536 20 30 DCEDRP C=CCOCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001100064588 763273205 /nfs/dbraw/zinc/27/32/05/763273205.db2.gz OLVVLXJPYHLATL-LSDHHAIUSA-N 2 0 313.442 0.082 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[NH+](C)C)C1 ZINC001130417934 763303661 /nfs/dbraw/zinc/30/36/61/763303661.db2.gz LTFXORXCTGAELG-AWEZNQCLSA-N 2 0 317.437 0.790 20 30 DCEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100115674 763327849 /nfs/dbraw/zinc/32/78/49/763327849.db2.gz BHURPBIZSDIERS-SJORKVTESA-N 2 0 321.465 0.827 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001100674050 763715865 /nfs/dbraw/zinc/71/58/65/763715865.db2.gz KRYRSAJWKBAXOQ-NFOMZHRRSA-N 2 0 322.453 0.257 20 30 DCEDRP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102085777 764519948 /nfs/dbraw/zinc/51/99/48/764519948.db2.gz APFQZURIKFIFIE-RBSFLKMASA-N 2 0 324.469 0.313 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001132743111 764619599 /nfs/dbraw/zinc/61/95/99/764619599.db2.gz UVTBAVRIJHPHGO-GJZGRUSLSA-N 2 0 324.469 0.505 20 30 DCEDRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001133865696 765191157 /nfs/dbraw/zinc/19/11/57/765191157.db2.gz FDKPBBNLFPDNKI-CZUORRHYSA-N 2 0 300.406 0.962 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1=O ZINC001133906015 765218645 /nfs/dbraw/zinc/21/86/45/765218645.db2.gz NBLGAONAPLUZAH-CQSZACIVSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCOCC[NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134020892 765289668 /nfs/dbraw/zinc/28/96/68/765289668.db2.gz JSFHQJLIQZBDNL-HNNXBMFYSA-N 2 0 313.442 0.396 20 30 DCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001118322682 766288011 /nfs/dbraw/zinc/28/80/11/766288011.db2.gz NGHDOGOEJSSWPQ-GJZGRUSLSA-N 2 0 308.426 0.578 20 30 DCEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090610885 766372810 /nfs/dbraw/zinc/37/28/10/766372810.db2.gz WOTMRKWKGNBOPJ-CVEARBPZSA-N 2 0 309.454 0.846 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001119418710 766671469 /nfs/dbraw/zinc/67/14/69/766671469.db2.gz UFRLWGDZTJRAJF-DZGCQCFKSA-N 2 0 322.453 0.529 20 30 DCEDRP C[NH+](C)CCN1CCN(Cc2ccc(C#N)cn2)CCC1=O ZINC001144163355 766821048 /nfs/dbraw/zinc/82/10/48/766821048.db2.gz DAAQEBCQPFIKAH-UHFFFAOYSA-N 2 0 301.394 0.549 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCOC)CC1 ZINC001146612080 767488316 /nfs/dbraw/zinc/48/83/16/767488316.db2.gz PKJKXRZLJHHEPG-HUUCEWRRSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[NH2+]CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147340780 767714602 /nfs/dbraw/zinc/71/46/02/767714602.db2.gz PUHZOFXULQEONS-UHFFFAOYSA-N 2 0 307.438 0.464 20 30 DCEDRP C#CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001092909711 768414061 /nfs/dbraw/zinc/41/40/61/768414061.db2.gz ZUPLNXTYYXFDTD-BZUAXINKSA-N 2 0 307.438 0.413 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2C)CC1 ZINC001093223602 768501193 /nfs/dbraw/zinc/50/11/93/768501193.db2.gz CKFCNSWWAJZIGZ-NVXWUHKLSA-N 2 0 321.465 0.398 20 30 DCEDRP C#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@H+]1C)CCO2 ZINC001093391358 768555424 /nfs/dbraw/zinc/55/54/24/768555424.db2.gz RRMBNKKPEYQKBZ-UPTPFMHGSA-N 2 0 319.449 0.844 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)CC[N@@H+](C)CCC)C1=O ZINC001171726251 769359378 /nfs/dbraw/zinc/35/93/78/769359378.db2.gz YWFRXDJXSBWIOD-OAHLLOKOSA-N 2 0 324.469 0.601 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152237587 769515212 /nfs/dbraw/zinc/51/52/12/769515212.db2.gz QOYSJWSCAZILHX-UHFFFAOYSA-N 2 0 318.421 0.370 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152473596 769571592 /nfs/dbraw/zinc/57/15/92/769571592.db2.gz XCAJOYYNOZSETO-HNNXBMFYSA-N 2 0 310.442 0.115 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176071219 770009982 /nfs/dbraw/zinc/00/99/82/770009982.db2.gz CWZVHJNXRQLMEN-OAHLLOKOSA-N 2 0 324.469 0.459 20 30 DCEDRP C#CCC[NH+]1CCCO[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001150588673 770097785 /nfs/dbraw/zinc/09/77/85/770097785.db2.gz QUFAGRDQECZOFA-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001154385397 770165571 /nfs/dbraw/zinc/16/55/71/770165571.db2.gz IAMWEGNHZABGNJ-JBCIKUTRSA-N 2 0 319.449 0.700 20 30 DCEDRP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226697 770440021 /nfs/dbraw/zinc/44/00/21/770440021.db2.gz NMKGWIAQUYQLEM-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)Cc1ccnc(C#N)c1 ZINC001177675158 770524016 /nfs/dbraw/zinc/52/40/16/770524016.db2.gz UTNIEKTZKTXUCL-UHFFFAOYSA-N 2 0 302.382 0.560 20 30 DCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001178725497 770832768 /nfs/dbraw/zinc/83/27/68/770832768.db2.gz MJNCDBLZIAKMTB-GJZGRUSLSA-N 2 0 317.437 0.661 20 30 DCEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001180278224 771094987 /nfs/dbraw/zinc/09/49/87/771094987.db2.gz BCYNLXGXHOMQJD-MRXNPFEDSA-N 2 0 309.454 0.854 20 30 DCEDRP C#CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001151020657 771255750 /nfs/dbraw/zinc/25/57/50/771255750.db2.gz DDURSWYXVKCDEQ-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC#CCOC)C2)CC[N@@H+]1C ZINC001182692290 771534927 /nfs/dbraw/zinc/53/49/27/771534927.db2.gz HBSFJXWXLBTPKD-OWCLPIDISA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001183034081 771594918 /nfs/dbraw/zinc/59/49/18/771594918.db2.gz SQTNNGXCXSAQEY-CRAIPNDOSA-N 2 0 321.465 0.805 20 30 DCEDRP C#C[C@](C)([NH3+])C(=O)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001157626994 771643673 /nfs/dbraw/zinc/64/36/73/771643673.db2.gz KYHAJNPBKBCESZ-KRWDZBQOSA-N 2 0 307.438 0.688 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)C1=O ZINC001185265383 771895310 /nfs/dbraw/zinc/89/53/10/771895310.db2.gz READQNWIZVKTEH-HUUCEWRRSA-N 2 0 322.453 0.306 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001185609228 771935224 /nfs/dbraw/zinc/93/52/24/771935224.db2.gz GNDHWFCCXKYIKQ-CABCVRRESA-N 2 0 324.469 0.600 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CCO)[C@@H](C)C2)CC1 ZINC001185731964 771951343 /nfs/dbraw/zinc/95/13/43/771951343.db2.gz WQKHOIBJSPIOAU-DOTOQJQBSA-N 2 0 321.465 0.398 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CC12CCOCC2 ZINC001186464766 772048206 /nfs/dbraw/zinc/04/82/06/772048206.db2.gz PKTNOKVWZIVGBI-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CCN(CCC#N)CC1 ZINC001160483182 772048433 /nfs/dbraw/zinc/04/84/33/772048433.db2.gz FYCDWYQPTLYEAN-HNNXBMFYSA-N 2 0 309.458 0.540 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161051804 772159220 /nfs/dbraw/zinc/15/92/20/772159220.db2.gz BUXWAJLSOZMFMK-ZIAGYGMSSA-N 2 0 310.442 0.257 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001166446324 772811657 /nfs/dbraw/zinc/81/16/57/772811657.db2.gz BQWQCFLOEXVHRL-CABCVRRESA-N 2 0 324.469 0.341 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+][C@H](C)COC)CC2)CC1 ZINC001203888514 772928605 /nfs/dbraw/zinc/92/86/05/772928605.db2.gz NGXXHIMVYOFKCL-OAHLLOKOSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001203932421 772930174 /nfs/dbraw/zinc/93/01/74/772930174.db2.gz DTIFKNQLVQVNIG-CQSZACIVSA-N 2 0 322.453 0.045 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193281003 773037625 /nfs/dbraw/zinc/03/76/25/773037625.db2.gz ZCGHLXVHMBOJHM-LSDHHAIUSA-N 2 0 324.469 0.552 20 30 DCEDRP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487779 773069792 /nfs/dbraw/zinc/06/97/92/773069792.db2.gz FJJMVQFLSGYPJE-OAHLLOKOSA-N 2 0 313.442 0.300 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001193641975 773093411 /nfs/dbraw/zinc/09/34/11/773093411.db2.gz JZAGVIUHQWXJOB-GJZGRUSLSA-N 2 0 324.469 0.552 20 30 DCEDRP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485518 773475062 /nfs/dbraw/zinc/47/50/62/773475062.db2.gz NDOQYVSPDQZGCP-GDBMZVCRSA-N 2 0 309.454 0.967 20 30 DCEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncn2C)C1 ZINC001197775219 773797769 /nfs/dbraw/zinc/79/77/69/773797769.db2.gz FVDJJHOPPNMGED-BPLDGKMQSA-N 2 0 306.410 0.479 20 30 DCEDRP CC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001199119304 774042736 /nfs/dbraw/zinc/04/27/36/774042736.db2.gz AQYKQAFEWLZQIV-ZACQAIPSSA-N 2 0 315.417 0.474 20 30 DCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215599079 774085043 /nfs/dbraw/zinc/08/50/43/774085043.db2.gz QIXCWEPJDYDOSH-IXDOHACOSA-N 2 0 321.465 0.947 20 30 DCEDRP C=C1CC[NH2+]C[C@@H]1Oc1cc(C[C@H]([NH3+])C(=O)N(C)C)ccc1O ZINC001218211034 774216890 /nfs/dbraw/zinc/21/68/90/774216890.db2.gz PBQYXVZGBLZVMX-BBRMVZONSA-N 2 0 319.405 0.647 20 30 DCEDRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC001218555239 774246109 /nfs/dbraw/zinc/24/61/09/774246109.db2.gz YXLHLIVFCLLVGU-YUMQZZPRSA-N 2 0 321.406 0.056 20 30 DCEDRP N#Cc1c[nH]c2cc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])ccc12 ZINC001219047238 774353329 /nfs/dbraw/zinc/35/33/29/774353329.db2.gz SXNFTKFAZBNHRT-LBPRGKRZSA-N 2 0 303.391 0.997 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CCCO1 ZINC001200721135 774397950 /nfs/dbraw/zinc/39/79/50/774397950.db2.gz HVTGQUOIZNOTGT-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CCCO1 ZINC001201402313 774501758 /nfs/dbraw/zinc/50/17/58/774501758.db2.gz CHFAIFYBUGYSJP-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP CC#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001201702127 774541976 /nfs/dbraw/zinc/54/19/76/774541976.db2.gz WIPFSHODAXNWFR-BFHRDPOASA-N 2 0 317.433 0.454 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCCO1 ZINC001201720522 774543342 /nfs/dbraw/zinc/54/33/42/774543342.db2.gz RVILCAJXOWRPHA-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCC=C)C[C@@H]2O)CC1 ZINC001221066239 774988956 /nfs/dbraw/zinc/98/89/56/774988956.db2.gz MOZGLNNRJQWIEY-SJORKVTESA-N 2 0 319.449 0.459 20 30 DCEDRP CC#CCN1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091155 774992843 /nfs/dbraw/zinc/99/28/43/774992843.db2.gz DKOXSHUJRRETOJ-OWCLPIDISA-N 2 0 307.438 0.291 20 30 DCEDRP N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)NCCCC[NH3+])C1 ZINC001221347212 775075954 /nfs/dbraw/zinc/07/59/54/775075954.db2.gz IITVJWALVQNVEF-CJNGLKHVSA-N 2 0 300.406 0.934 20 30 DCEDRP C=CC[C@@](C)(NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(=O)OC ZINC001221382734 775081310 /nfs/dbraw/zinc/08/13/10/775081310.db2.gz XTRLEQPCDWPAJT-SWLSCSKDSA-N 2 0 309.410 0.485 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1 ZINC001114562145 775928140 /nfs/dbraw/zinc/92/81/40/775928140.db2.gz AGUXIAJLZANKAK-FVQHAEBGSA-N 2 0 324.384 0.644 20 30 DCEDRP COCC#CC[NH+]1CCC(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001227832678 776015394 /nfs/dbraw/zinc/01/53/94/776015394.db2.gz LQRLZHBMQRADQY-UHFFFAOYSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)COC[C@@H](C)[NH+]2CCCC2)CC1 ZINC001229242304 776173140 /nfs/dbraw/zinc/17/31/40/776173140.db2.gz AAHAQCRDTLLUKP-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041288700 777181242 /nfs/dbraw/zinc/18/12/42/777181242.db2.gz ZPHUWAHGBJPLFM-SJLPKXTDSA-N 2 0 301.434 0.886 20 30 DCEDRP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCCOC)CC1 ZINC001278200661 945178187 /nfs/dbraw/zinc/17/81/87/945178187.db2.gz PYFZTKQYVJPROI-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP N#CCCCN1C[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273030890 945208758 /nfs/dbraw/zinc/20/87/58/945208758.db2.gz QQPPWTGUWJVUNG-KRWDZBQOSA-N 2 0 320.437 0.593 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001278349284 945232792 /nfs/dbraw/zinc/23/27/92/945232792.db2.gz DZBAQDREJLOOFR-MRXNPFEDSA-N 2 0 306.454 0.180 20 30 DCEDRP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001267087279 939336582 /nfs/dbraw/zinc/33/65/82/939336582.db2.gz YQVOLHKMMBBCDA-CVEARBPZSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCC1 ZINC001273099825 945252538 /nfs/dbraw/zinc/25/25/38/945252538.db2.gz DUHKVFLTJMSHJZ-UHFFFAOYSA-N 2 0 322.453 0.401 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267685017 939625122 /nfs/dbraw/zinc/62/51/22/939625122.db2.gz WWOLQZOOCKPIRD-DLBZAZTESA-N 2 0 321.465 0.758 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267808992 939686519 /nfs/dbraw/zinc/68/65/19/939686519.db2.gz CLTQNYJSXWCTRR-KGLIPLIRSA-N 2 0 310.442 0.257 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]C[C@@H](C)OC)CC1 ZINC001267832173 939691845 /nfs/dbraw/zinc/69/18/45/939691845.db2.gz YFXIYVGAIHHIRA-ZBFHGGJFSA-N 2 0 309.454 0.851 20 30 DCEDRP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC#CCOC)CC1)[NH+](C)C ZINC001267925734 939706586 /nfs/dbraw/zinc/70/65/86/939706586.db2.gz LLFHXIOOZIYJAO-BZUAXINKSA-N 2 0 309.454 0.993 20 30 DCEDRP CC[C@H](C(=O)N[C@](C)(C[NH2+]CC#CCOC)C1CC1)[NH+](C)C ZINC001481948027 940192881 /nfs/dbraw/zinc/19/28/81/940192881.db2.gz YTXCMGSBNTZNGY-NVXWUHKLSA-N 2 0 309.454 0.851 20 30 DCEDRP CC[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC#CCOC ZINC001269417397 940703270 /nfs/dbraw/zinc/70/32/70/940703270.db2.gz HFIQEOCFLVVDDY-JKSUJKDBSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001269493551 940719065 /nfs/dbraw/zinc/71/90/65/940719065.db2.gz YAQNZYQRKUYABC-KBPBESRZSA-N 2 0 322.453 0.257 20 30 DCEDRP C=CCNC(=O)[C@@H](C)N1CC[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001270665339 940959762 /nfs/dbraw/zinc/95/97/62/940959762.db2.gz OQQXAHFNSIFXSJ-PBHICJAKSA-N 2 0 324.469 0.598 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)CC#CCOC ZINC001505452658 941481693 /nfs/dbraw/zinc/48/16/93/941481693.db2.gz LJWJDDMFQQGDJF-INIZCTEOSA-N 2 0 309.454 0.901 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001482761593 941659401 /nfs/dbraw/zinc/65/94/01/941659401.db2.gz JJCNXCVBMCFLKI-IAGOWNOFSA-N 2 0 321.465 0.874 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483485907 942381575 /nfs/dbraw/zinc/38/15/75/942381575.db2.gz OEKTZSHRRDCNOW-GJZGRUSLSA-N 2 0 324.469 0.600 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001272330986 942691813 /nfs/dbraw/zinc/69/18/13/942691813.db2.gz AGIMYGNABHQLGH-CVEARBPZSA-N 2 0 307.438 0.607 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001272413683 942740953 /nfs/dbraw/zinc/74/09/53/942740953.db2.gz HBXNIRDEBCGCHN-NVXWUHKLSA-N 2 0 321.465 0.731 20 30 DCEDRP C#CCN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001483986789 943070896 /nfs/dbraw/zinc/07/08/96/943070896.db2.gz SBPGQQMWAZLJSF-HNNXBMFYSA-N 2 0 321.465 0.635 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001484535800 943446681 /nfs/dbraw/zinc/44/66/81/943446681.db2.gz KNXBEYIXTVCNDQ-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCNC(=O)CN(C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)CCC ZINC001485076262 943683613 /nfs/dbraw/zinc/68/36/13/943683613.db2.gz SCWZFZBELBBVPD-HNNXBMFYSA-N 2 0 322.453 0.000 20 30 DCEDRP C=CCOCC[NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001485107796 943700075 /nfs/dbraw/zinc/70/00/75/943700075.db2.gz ZYYSSZHMRVNBNR-UHFFFAOYSA-N 2 0 307.438 0.769 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001485203683 943753540 /nfs/dbraw/zinc/75/35/40/943753540.db2.gz DPMMEPGIULPDCC-CVEARBPZSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001491126430 943773903 /nfs/dbraw/zinc/77/39/03/943773903.db2.gz XYRFDUVVELFIQT-INIZCTEOSA-N 2 0 319.449 0.560 20 30 DCEDRP COCC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001485481252 943955835 /nfs/dbraw/zinc/95/58/35/943955835.db2.gz ARDNUVUSKZOOJU-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001272772024 944220198 /nfs/dbraw/zinc/22/01/98/944220198.db2.gz CHGPOWVLDWNCJO-HOTGVXAUSA-N 2 0 309.454 0.993 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC001276778492 944296855 /nfs/dbraw/zinc/29/68/55/944296855.db2.gz MSKYUGWEPKPOPV-HOTGVXAUSA-N 2 0 319.449 0.701 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CC2(C1)CCC[NH+](CC#CCOC)C2 ZINC001276885823 944343085 /nfs/dbraw/zinc/34/30/85/944343085.db2.gz CJTYAIZKRZYSMP-UHFFFAOYSA-N 2 0 321.465 0.902 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485877003 944375845 /nfs/dbraw/zinc/37/58/45/944375845.db2.gz XGOSYLLJLXVZAI-DZGCQCFKSA-N 2 0 322.453 0.067 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001277080041 944655130 /nfs/dbraw/zinc/65/51/30/944655130.db2.gz ONFLKXYCIFWLHH-HNNXBMFYSA-N 2 0 307.438 0.749 20 30 DCEDRP COCC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001317005083 944734469 /nfs/dbraw/zinc/73/44/69/944734469.db2.gz DWYBNIUYGUBVLF-CVEARBPZSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001486335664 944794848 /nfs/dbraw/zinc/79/48/48/944794848.db2.gz UBNAGDJNEBFUBA-HNNXBMFYSA-N 2 0 309.454 0.635 20 30 DCEDRP C=C(C)C[N@H+](C)CCOCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001277493892 944843265 /nfs/dbraw/zinc/84/32/65/944843265.db2.gz LRQZYVODRUBEIU-INIZCTEOSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001317280689 944895128 /nfs/dbraw/zinc/89/51/28/944895128.db2.gz MOMATFZSSXGLSY-HUUCEWRRSA-N 2 0 324.469 0.503 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001317327900 944926053 /nfs/dbraw/zinc/92/60/53/944926053.db2.gz YFROTVKDSPEZMG-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001317396767 944954817 /nfs/dbraw/zinc/95/48/17/944954817.db2.gz QESKXMNZKGXNJL-CVEARBPZSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCOCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001277818585 944992858 /nfs/dbraw/zinc/99/28/58/944992858.db2.gz BDQHLOYSANFJOE-ZBFHGGJFSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001319085791 945493303 /nfs/dbraw/zinc/49/33/03/945493303.db2.gz SITHHVVEYLHFDF-RRFJBIMHSA-N 2 0 322.453 0.045 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+][C@@H](C)COC)CC1 ZINC001319590683 945625668 /nfs/dbraw/zinc/62/56/68/945625668.db2.gz VLPFCLUZIJGTJI-LSDHHAIUSA-N 2 0 309.454 0.803 20 30 DCEDRP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001320272866 945798858 /nfs/dbraw/zinc/79/88/58/945798858.db2.gz JTBKSSDTHKUXKJ-CZUORRHYSA-N 2 0 315.433 0.842 20 30 DCEDRP C#CCNC(=O)CC[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001262570000 947730210 /nfs/dbraw/zinc/73/02/10/947730210.db2.gz KWPHDOCXWJWVMZ-QGZVFWFLSA-N 2 0 315.417 0.482 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001179553995 947870259 /nfs/dbraw/zinc/87/02/59/947870259.db2.gz JOHHGKAPTHHWJZ-QPSCCSFWSA-N 2 0 324.469 0.596 20 30 DCEDRP C#CC[NH2+]C1CCN(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001325806139 947929800 /nfs/dbraw/zinc/92/98/00/947929800.db2.gz QDXDLEYPFGKOSO-UHFFFAOYSA-N 2 0 306.454 0.132 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)CCO1 ZINC001326988137 948354121 /nfs/dbraw/zinc/35/41/21/948354121.db2.gz KRTYXVNZNTVLKV-ZIAGYGMSSA-N 2 0 301.406 0.669 20 30 DCEDRP C#CCCN1CC2(C1)CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)O2 ZINC001327365411 948479806 /nfs/dbraw/zinc/47/98/06/948479806.db2.gz SNDLZGZNZMGIAK-HOTGVXAUSA-N 2 0 319.449 0.701 20 30 DCEDRP C=C[C@@H](O)C[N@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001273880841 948651373 /nfs/dbraw/zinc/65/13/73/948651373.db2.gz GPLJYHNWRRBCLR-WBVHZDCISA-N 2 0 309.454 0.800 20 30 DCEDRP COCC#CC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001264986178 949145535 /nfs/dbraw/zinc/14/55/35/949145535.db2.gz BFYHHADFTBOGMX-MRXNPFEDSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001488761069 949152618 /nfs/dbraw/zinc/15/26/18/949152618.db2.gz GLAHEYFTWXWCMH-LUKYLMHMSA-N 2 0 321.465 0.851 20 30 DCEDRP CC#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)CCC[NH+](C)C)n1 ZINC001489077983 949466378 /nfs/dbraw/zinc/46/63/78/949466378.db2.gz DMJXSTGLRWQZPM-UHFFFAOYSA-N 2 0 319.409 0.253 20 30 DCEDRP COCC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001265323225 949607143 /nfs/dbraw/zinc/60/71/43/949607143.db2.gz FZCLUQLYORHUCI-HZPDHXFCSA-N 2 0 319.449 0.701 20 30 DCEDRP C#CCC[NH+](CCO)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001489353411 949750097 /nfs/dbraw/zinc/75/00/97/949750097.db2.gz WEYLCTXTJSJMFZ-INIZCTEOSA-N 2 0 307.438 0.389 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001265571061 949775064 /nfs/dbraw/zinc/77/50/64/949775064.db2.gz BGJNLNGTXOIMGR-GEEKYZPCSA-N 2 0 307.438 0.746 20 30 DCEDRP CCCC[C@@H](C[NH2+]CC#CCOC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001329900783 949959291 /nfs/dbraw/zinc/95/92/91/949959291.db2.gz MHLYYHVBVYVKGG-CVEARBPZSA-N 2 0 309.454 0.853 20 30 DCEDRP CC#CC[N@H+](CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001490393091 950639289 /nfs/dbraw/zinc/63/92/89/950639289.db2.gz DZNBBUBKIFFAHW-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCN1CCN(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001490494606 950747277 /nfs/dbraw/zinc/74/72/77/950747277.db2.gz LGXWOVPELYXEDL-IAGOWNOFSA-N 2 0 318.465 0.370 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CCOC)C2)CC1 ZINC001281475638 951513316 /nfs/dbraw/zinc/51/33/16/951513316.db2.gz JPBWVUQFEJAAKQ-ZBFHGGJFSA-N 2 0 307.438 0.415 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001281612580 951561031 /nfs/dbraw/zinc/56/10/31/951561031.db2.gz CBILAXPOCWICJC-MRXNPFEDSA-N 2 0 321.465 0.826 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001332855513 951825234 /nfs/dbraw/zinc/82/52/34/951825234.db2.gz DCPGUAKYNQGXCU-KGLIPLIRSA-N 2 0 324.469 0.197 20 30 DCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)CCc2c[nH]cn2)CC1 ZINC001274910095 951885660 /nfs/dbraw/zinc/88/56/60/951885660.db2.gz BCCNHFPEQASMIE-UHFFFAOYSA-N 2 0 304.394 0.309 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC(O)(C[NH+](C)C)CC2)CC1 ZINC001334250443 952270705 /nfs/dbraw/zinc/27/07/05/952270705.db2.gz GNGSIOWULFEJLP-UHFFFAOYSA-N 2 0 307.438 0.247 20 30 DCEDRP C=CCNC(=O)CN(C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001275929008 952533609 /nfs/dbraw/zinc/53/36/09/952533609.db2.gz WHGMWHDSZRVQIR-UONOGXRCSA-N 2 0 310.442 0.067 20 30 DCEDRP C[NH+](C)CC#CCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001335968480 952626700 /nfs/dbraw/zinc/62/67/00/952626700.db2.gz GTEMJVQKCADCNH-GOSISDBHSA-N 3 0 301.434 0.778 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001342564068 953296086 /nfs/dbraw/zinc/29/60/86/953296086.db2.gz FBBWXHWMOXLMPT-WBMJQRKESA-N 2 0 303.410 0.667 20 30 DCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001281808623 953372062 /nfs/dbraw/zinc/37/20/62/953372062.db2.gz MIOJNRCHWVDHAX-JKSUJKDBSA-N 2 0 321.465 0.683 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001282013056 953445998 /nfs/dbraw/zinc/44/59/98/953445998.db2.gz ACTBJFBKMMSUNE-NRXISQOPSA-N 2 0 322.453 0.257 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001282289708 953537733 /nfs/dbraw/zinc/53/77/33/953537733.db2.gz XXLBWJMENUCBHQ-AWEZNQCLSA-N 2 0 324.469 0.457 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001282465352 953596950 /nfs/dbraw/zinc/59/69/50/953596950.db2.gz RTQBKYRSBXIDCY-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CN(C)CCO2)CCCCC1 ZINC001282605307 953635115 /nfs/dbraw/zinc/63/51/15/953635115.db2.gz HBDDXQFQASAHPU-HNNXBMFYSA-N 2 0 307.438 0.749 20 30 DCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1(C)C ZINC001284346667 955024046 /nfs/dbraw/zinc/02/40/46/955024046.db2.gz JMRLYQKAHBGTNE-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC001284614098 955201932 /nfs/dbraw/zinc/20/19/32/955201932.db2.gz MJRUBUFNBMZFBX-KGLIPLIRSA-N 2 0 324.469 0.503 20 30 DCEDRP C#CCC[NH+]1CCC(NC(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001357992129 957413062 /nfs/dbraw/zinc/41/30/62/957413062.db2.gz KPTUTRSSXFGDKB-UHFFFAOYSA-N 2 0 307.438 0.295 20 30 DCEDRP C[NH+](C)C[C@@H]1CN(C(=O)C2(C#N)CCOCC2)C[C@H]1C[NH+](C)C ZINC001363570136 961465690 /nfs/dbraw/zinc/46/56/90/961465690.db2.gz OUUCMVZAAOELNU-HUUCEWRRSA-N 2 0 322.453 0.505 20 30 DCEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCC(=O)N(C)CCC#N)CC1 ZINC001363819714 961954226 /nfs/dbraw/zinc/95/42/26/961954226.db2.gz SRYXLFYDKDPMEL-UHFFFAOYSA-N 2 0 323.485 0.754 20 30 DCEDRP C=C(Cl)CN(C)C[C@@H](O)CN(C)C(=O)Cn1ccnc1C ZINC001449246294 1014347595 /nfs/dbraw/zinc/34/75/95/1014347595.db2.gz PVSHLRAMTPEFAN-CYBMUJFWSA-N 2 0 314.817 0.695 20 30 DCEDRP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001507035148 1015909344 /nfs/dbraw/zinc/90/93/44/1015909344.db2.gz FZDBRQUWVCKYGN-HOCLYGCPSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001507072618 1015953782 /nfs/dbraw/zinc/95/37/82/1015953782.db2.gz VZKJOAZUMYBAGL-LSDHHAIUSA-N 2 0 322.453 0.045 20 30 DCEDRP C#CCC[NH2+]CC1(NC(=O)C2(C[NH+](C)C)CC2)CCOCC1 ZINC001502634151 1016008833 /nfs/dbraw/zinc/00/88/33/1016008833.db2.gz WURJMFFLNJNUGL-UHFFFAOYSA-N 2 0 307.438 0.607 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CCC[C@@H](C)O)CC1 ZINC001507163277 1016045357 /nfs/dbraw/zinc/04/53/57/1016045357.db2.gz UERASDQJZQIDTN-JKSUJKDBSA-N 2 0 323.481 0.929 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)COC)CC1 ZINC001507162939 1016045904 /nfs/dbraw/zinc/04/59/04/1016045904.db2.gz SVUDRTQENPXNNX-CABCVRRESA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001508113631 1016660980 /nfs/dbraw/zinc/66/09/80/1016660980.db2.gz AMVMTNRNGJHVMR-UHFFFAOYSA-N 2 0 322.453 0.352 20 30 DCEDRP N#Cc1ccc(C[NH2+][C@@H](CO)CNC(=O)C[NH+]2CCCC2)s1 ZINC001425843676 1003172681 /nfs/dbraw/zinc/17/26/81/1003172681.db2.gz SLTLZFCMCWYKIK-GFCCVEGCSA-N 2 0 322.434 0.282 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001406297491 1003579875 /nfs/dbraw/zinc/57/98/75/1003579875.db2.gz FXHODXHWRGYTAX-STQMWFEESA-N 2 0 303.834 0.680 20 30 DCEDRP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001441745537 1008485643 /nfs/dbraw/zinc/48/56/43/1008485643.db2.gz AOLKIAJOASGPCC-CVEARBPZSA-N 2 0 318.421 0.465 20 30 DCEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC001423187726 1010955865 /nfs/dbraw/zinc/95/58/65/1010955865.db2.gz FODIARMRNAEMRQ-CVEARBPZSA-N 2 0 316.405 0.219 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001521490675 1017387156 /nfs/dbraw/zinc/38/71/56/1017387156.db2.gz UIOUZCOIAUCALH-JKSUJKDBSA-N 2 0 324.469 0.193 20 30 DCEDRP C=CCOCC[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001506652176 1017441383 /nfs/dbraw/zinc/44/13/83/1017441383.db2.gz XPERQADGPOURBN-CQSZACIVSA-N 2 0 309.454 0.967 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001506854587 1017619097 /nfs/dbraw/zinc/61/90/97/1017619097.db2.gz LVDPPYILQIQFRI-BBWFWOEESA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001499275607 1017800109 /nfs/dbraw/zinc/80/01/09/1017800109.db2.gz ZHVMBGDIAJVDJY-MRXNPFEDSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+][C@@H](C)COC)C2CC2)CC1 ZINC001480066943 1018178002 /nfs/dbraw/zinc/17/80/02/1018178002.db2.gz SZWGXVPBYXUMEC-YOEHRIQHSA-N 2 0 321.465 0.851 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+][C@H](C)COC)C2CC2)CC1 ZINC001480066941 1018178179 /nfs/dbraw/zinc/17/81/79/1018178179.db2.gz SZWGXVPBYXUMEC-RHSMWYFYSA-N 2 0 321.465 0.851 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001480111571 1018215412 /nfs/dbraw/zinc/21/54/12/1018215412.db2.gz BTQYMFRNMUFMQK-ILXRZTDVSA-N 2 0 324.469 0.454 20 30 DCEDRP COCC#CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001495233848 1018411694 /nfs/dbraw/zinc/41/16/94/1018411694.db2.gz MZYJPLDMFMCFDF-NVXWUHKLSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001480329746 1018431557 /nfs/dbraw/zinc/43/15/57/1018431557.db2.gz FJVUTRBPRPVJPZ-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001500763532 1018640156 /nfs/dbraw/zinc/64/01/56/1018640156.db2.gz VKHGTVHDIBTJEG-NVXWUHKLSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001480665098 1018756425 /nfs/dbraw/zinc/75/64/25/1018756425.db2.gz ITDODQCLKRDOGM-JKSUJKDBSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)C[C@H](C)OC)CC1 ZINC001498457926 1019139873 /nfs/dbraw/zinc/13/98/73/1019139873.db2.gz VFMVVSGZUZORCE-CABCVRRESA-N 2 0 309.454 0.803 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001493151838 1019149162 /nfs/dbraw/zinc/14/91/62/1019149162.db2.gz QCOFZFDYXAMJKS-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+][C@@H](CC)C(N)=O)CC1 ZINC001496238789 1019185974 /nfs/dbraw/zinc/18/59/74/1019185974.db2.gz MXCIWHUMRJYBFG-HIFRSBDPSA-N 2 0 322.453 0.032 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001501647650 1019352226 /nfs/dbraw/zinc/35/22/26/1019352226.db2.gz MZMGVGRFBWCXOY-MRXNPFEDSA-N 2 0 307.438 0.560 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)c1cc2c[nH]ccc-2n1 ZINC001497002234 1019904886 /nfs/dbraw/zinc/90/48/86/1019904886.db2.gz NWTQGBAHIVKIQW-LLVKDONJSA-N 2 0 308.769 0.996 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)c1cc2c[nH]ccc-2n1 ZINC001497002236 1019905673 /nfs/dbraw/zinc/90/56/73/1019905673.db2.gz NWTQGBAHIVKIQW-NSHDSACASA-N 2 0 308.769 0.996 20 30 DCEDRP C[C@@H]1C[NH+]=C(NCc2cccc(CNC3=[NH+]C[C@H](C)N3)c2)N1 ZINC000262633234 238177975 /nfs/dbraw/zinc/17/79/75/238177975.db2.gz GDHYJOBTNZPYQP-TXEJJXNPSA-N 2 0 300.410 0.561 20 30 DCEDRP [NH2+]=C(NCC[NH+]1CCCC1)N1CCN(c2ncccn2)CC1 ZINC000263268519 238185698 /nfs/dbraw/zinc/18/56/98/238185698.db2.gz VZZQXORVKGMNJN-UHFFFAOYSA-N 2 0 303.414 0.009 20 30 DCEDRP N#Cc1ccc(CS(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1 ZINC000571537174 291519887 /nfs/dbraw/zinc/51/98/87/291519887.db2.gz DIPKBVCEZQCCRC-UHFFFAOYSA-N 2 0 310.423 0.388 20 30 DCEDRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598595281 397255173 /nfs/dbraw/zinc/25/51/73/397255173.db2.gz HTKXKZSIZCNXDU-HNNXBMFYSA-N 2 0 324.469 0.677 20 30 DCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccnc(C#N)c1 ZINC000603135575 397574361 /nfs/dbraw/zinc/57/43/61/397574361.db2.gz RFWAMPVVTIIPBQ-UHFFFAOYSA-N 2 0 304.398 0.910 20 30 DCEDRP CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH+]2C)CC[N@@H+]1C[C@H](C)O ZINC000329574395 416178887 /nfs/dbraw/zinc/17/88/87/416178887.db2.gz RQHDPMVBFQDDAB-ZNMIVQPWSA-N 2 0 312.458 0.772 20 30 DCEDRP COCCNC(=[NH2+])NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000180446933 416197177 /nfs/dbraw/zinc/19/71/77/416197177.db2.gz IHRDITBXTKUISC-HNNXBMFYSA-N 2 0 306.410 0.304 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](OC)C(C)(C)C2)CC1 ZINC000491667887 416611000 /nfs/dbraw/zinc/61/10/00/416611000.db2.gz YEKPYFWBJHHXBP-HNNXBMFYSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CCNC(=O)CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000491165671 416588856 /nfs/dbraw/zinc/58/88/56/416588856.db2.gz MTTLCXTYTCADOT-UHFFFAOYSA-N 2 0 321.465 0.950 20 30 DCEDRP C[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](C)[C@H](CO)C2)C[C@@H]1CO ZINC000621372445 417284575 /nfs/dbraw/zinc/28/45/75/417284575.db2.gz VVLWXLNEHLPWND-USTZCAOPSA-N 2 0 308.466 0.890 20 30 DCEDRP C=CCCn1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nn1 ZINC000644625948 417634521 /nfs/dbraw/zinc/63/45/21/417634521.db2.gz RWYCZTXBSVXXMZ-UHFFFAOYSA-N 2 0 308.430 0.420 20 30 DCEDRP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000285000396 274041573 /nfs/dbraw/zinc/04/15/73/274041573.db2.gz HYLWZOVHSALSQC-VNHYZAJKSA-N 2 0 322.457 0.742 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nnc2n1CCCC2 ZINC000303892888 279303437 /nfs/dbraw/zinc/30/34/37/279303437.db2.gz ROWICPCYLMLIOP-GFCCVEGCSA-N 2 0 305.430 0.503 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001656234722 1173854518 /nfs/dbraw/zinc/85/45/18/1173854518.db2.gz JYVXNSDYJJCBQX-BZUAXINKSA-N 2 0 307.438 0.462 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000569481697 332101098 /nfs/dbraw/zinc/10/10/98/332101098.db2.gz NXTVYDFJAWOVBX-CQSZACIVSA-N 2 0 318.425 0.410 20 30 DCEDRP COc1ccccc1CNC(=[NH2+])NC[C@@H]1C[N@H+](C)CCN1C ZINC000267412803 534074586 /nfs/dbraw/zinc/07/45/86/534074586.db2.gz INLXLRUGWAUQSQ-CQSZACIVSA-N 2 0 305.426 0.345 20 30 DCEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCc2ccccc2C1 ZINC000262793675 526378914 /nfs/dbraw/zinc/37/89/14/526378914.db2.gz SHMQTAWQSCTULH-KRWDZBQOSA-N 2 0 313.449 0.620 20 30 DCEDRP CC(C)CNC(=[NH2+])NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000264118407 527954833 /nfs/dbraw/zinc/95/48/33/527954833.db2.gz QKJZPEJGJSBPKM-UHFFFAOYSA-N 2 0 304.442 0.894 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000672357399 547353975 /nfs/dbraw/zinc/35/39/75/547353975.db2.gz ZLFKBYLIQKUWIF-OAHLLOKOSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000981645351 661188652 /nfs/dbraw/zinc/18/86/52/661188652.db2.gz ATVYAIKJXZGMSV-ISXOHVOVSA-N 2 0 305.422 0.570 20 30 DCEDRP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000981785272 661216577 /nfs/dbraw/zinc/21/65/77/661216577.db2.gz ZKHVPIGQVRSXRJ-HZPDHXFCSA-N 2 0 317.433 0.407 20 30 DCEDRP C#CCN1CCO[C@@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC000972552626 657763834 /nfs/dbraw/zinc/76/38/34/657763834.db2.gz QJXSGINPXVXPOY-WBVHZDCISA-N 2 0 305.422 0.265 20 30 DCEDRP C[NH+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCC(C(=O)OC)CC1 ZINC000073629168 665626620 /nfs/dbraw/zinc/62/66/20/665626620.db2.gz INERKKZAFGCSCU-CYBMUJFWSA-N 2 0 322.453 0.931 20 30 DCEDRP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001026530095 659382328 /nfs/dbraw/zinc/38/23/28/659382328.db2.gz DKWNNIVBZYGRCN-KUNBBXKYSA-N 2 0 317.433 0.500 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)COC)C2)CC1 ZINC001009629004 659439414 /nfs/dbraw/zinc/43/94/14/659439414.db2.gz QZGCKQXDKIEXRE-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000999759089 665683799 /nfs/dbraw/zinc/68/37/99/665683799.db2.gz AFXWHUFGNZMQAX-GYMHETDLSA-N 2 0 305.422 0.616 20 30 DCEDRP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N(C)C[C@@H]1CCOC1 ZINC000261612249 661322568 /nfs/dbraw/zinc/32/25/68/661322568.db2.gz FYERINAETXWIKS-LSDHHAIUSA-N 2 0 311.474 0.166 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001028333515 661461234 /nfs/dbraw/zinc/46/12/34/661461234.db2.gz MQQCKMSUGSHCKR-INIZCTEOSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2C[C@H](C)O)CC1 ZINC001028333349 661462764 /nfs/dbraw/zinc/46/27/64/661462764.db2.gz IDMHBQLEYZVASH-HOCLYGCPSA-N 2 0 307.438 0.293 20 30 DCEDRP C[NH+](C)CCCN(CCC#N)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896889485 662345765 /nfs/dbraw/zinc/34/57/65/662345765.db2.gz AKGGTVYQEIKIIJ-HNNXBMFYSA-N 2 0 308.426 0.401 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000940808053 665851288 /nfs/dbraw/zinc/85/12/88/665851288.db2.gz YBTWIVKKLCFTKX-JKSUJKDBSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000908437494 663755159 /nfs/dbraw/zinc/75/51/59/663755159.db2.gz PEBNYUKJWXNZDW-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP CC(C)OC(=O)CCCNC(=[NH2+])NCCCN1CCOCC1 ZINC000154578060 665151194 /nfs/dbraw/zinc/15/11/94/665151194.db2.gz FPQIGUXUUNBPIX-UHFFFAOYSA-N 2 0 314.430 0.345 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000921311370 665294538 /nfs/dbraw/zinc/29/45/38/665294538.db2.gz QTMYIVQLEIDWDQ-INIZCTEOSA-N 2 0 324.494 0.821 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000921434260 665304145 /nfs/dbraw/zinc/30/41/45/665304145.db2.gz FKQPKMATPALBKU-BBRMVZONSA-N 2 0 304.438 0.866 20 30 DCEDRP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031727829 665346427 /nfs/dbraw/zinc/34/64/27/665346427.db2.gz VSPNOIJOJSKXMD-KRWDZBQOSA-N 2 0 319.449 0.701 20 30 DCEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001001423519 666050589 /nfs/dbraw/zinc/05/05/89/666050589.db2.gz BRQKTKITCFBSIY-CVEARBPZSA-N 2 0 307.438 0.864 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCOC)C[C@H]2C)CC1 ZINC000945185365 666578366 /nfs/dbraw/zinc/57/83/66/666578366.db2.gz ZXAYZSDQFWSAOG-WBVHZDCISA-N 2 0 321.465 0.805 20 30 DCEDRP N#Cc1cncc(CN2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000930169333 667018415 /nfs/dbraw/zinc/01/84/15/667018415.db2.gz XDYIIKQDFAIJJD-UHFFFAOYSA-N 2 0 316.405 0.612 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCO)[C@H](C)C2)CC1 ZINC001036300582 667434891 /nfs/dbraw/zinc/43/48/91/667434891.db2.gz BSSOPMXSWYXHRX-GDBMZVCRSA-N 2 0 307.438 0.151 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCCS(C)(=O)=O ZINC000187054400 667456381 /nfs/dbraw/zinc/45/63/81/667456381.db2.gz FEIHSFASYUJUDU-ZDUSSCGKSA-N 2 0 318.487 0.590 20 30 DCEDRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884192991 667494909 /nfs/dbraw/zinc/49/49/09/667494909.db2.gz SQXNFMRFZWUOOP-HCEZTOJASA-N 2 0 304.438 0.926 20 30 DCEDRP C[NH+](C)C[C@@H]1CN(C(=O)NCC2(C#N)CC2)C[C@H]1C[NH+](C)C ZINC000875552607 668338503 /nfs/dbraw/zinc/33/85/03/668338503.db2.gz NRHVPJFPMKGIRK-ZIAGYGMSSA-N 2 0 307.442 0.671 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000764442382 668446913 /nfs/dbraw/zinc/44/69/13/668446913.db2.gz QBAABPSITUBQNI-UHFFFAOYSA-N 2 0 317.437 0.567 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCN1CC[NH+](CC)CC1 ZINC000876780075 668509423 /nfs/dbraw/zinc/50/94/23/668509423.db2.gz CJYPDSILZPVKMW-CYBMUJFWSA-N 2 0 302.850 0.600 20 30 DCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000876865875 668523638 /nfs/dbraw/zinc/52/36/38/668523638.db2.gz JLCSIONPVNPSRG-KGLIPLIRSA-N 2 0 320.343 0.858 20 30 DCEDRP C#C[C@@H]([NH2+]CCOCC[NH2+][C@@H](C#C)[C@@H]1CCCO1)[C@@H]1CCCO1 ZINC000775795083 668867771 /nfs/dbraw/zinc/86/77/71/668867771.db2.gz LOWMHYZSVHCMKQ-MHORFTMASA-N 2 0 320.433 0.544 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)C13CC[NH+](CC1)C3)CCO2 ZINC000949230055 670292188 /nfs/dbraw/zinc/29/21/88/670292188.db2.gz ITSMOGNALTXRJK-UHFFFAOYSA-N 2 0 317.433 0.409 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)CCO2 ZINC000949244500 670295519 /nfs/dbraw/zinc/29/55/19/670295519.db2.gz KPTMHQMEIZOOJM-HNNXBMFYSA-N 2 0 305.422 0.265 20 30 DCEDRP C=CCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000949380582 670328003 /nfs/dbraw/zinc/32/80/03/670328003.db2.gz JFEWEPSKCGLWGA-ISXOHVOVSA-N 2 0 305.422 0.570 20 30 DCEDRP C#CCN1CCOC2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000949386224 670329323 /nfs/dbraw/zinc/32/93/23/670329323.db2.gz YPAAQDYEIVGAJD-MRXNPFEDSA-N 2 0 319.449 0.653 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000837439708 671862057 /nfs/dbraw/zinc/86/20/57/671862057.db2.gz HSJAPWBCPDESSR-UHFFFAOYSA-N 2 0 323.485 0.267 20 30 DCEDRP C[NH+]=C(NCCN1CCOCC1)NCC[NH+]1CCCCCC1 ZINC000303907953 685207968 /nfs/dbraw/zinc/20/79/68/685207968.db2.gz XGTQBLYZCKMDOE-UHFFFAOYSA-N 2 0 311.474 0.360 20 30 DCEDRP C=C(C)C[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC000958214161 687445031 /nfs/dbraw/zinc/44/50/31/687445031.db2.gz DUOTZGSFVHTMQR-HUUCEWRRSA-N 2 0 307.438 0.600 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958263103 687491977 /nfs/dbraw/zinc/49/19/77/687491977.db2.gz NQBPRDDICJGYBR-HOCLYGCPSA-N 2 0 314.389 0.933 20 30 DCEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(CC)CCO1 ZINC000962672438 688965269 /nfs/dbraw/zinc/96/52/69/688965269.db2.gz YAHOBYCOCPCXNI-QXSJWSMHSA-N 2 0 307.438 0.720 20 30 DCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000968907060 690421229 /nfs/dbraw/zinc/42/12/29/690421229.db2.gz CYUWWHOOUDGBIB-GDBMZVCRSA-N 2 0 305.422 0.454 20 30 DCEDRP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007991113 690783947 /nfs/dbraw/zinc/78/39/47/690783947.db2.gz RDKFUYNCBBHTBQ-GYMHETDLSA-N 2 0 305.422 0.616 20 30 DCEDRP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001073605450 694750371 /nfs/dbraw/zinc/75/03/71/694750371.db2.gz KZNMNVAMQWAFOU-HOTGVXAUSA-N 2 0 307.438 0.721 20 30 DCEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001074757330 694920955 /nfs/dbraw/zinc/92/09/55/694920955.db2.gz XYKDYCVUYMUSRR-JOYVLCIYSA-N 2 0 305.422 0.615 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#CCOC)[C@@H](C)C1 ZINC001570446879 1162518922 /nfs/dbraw/zinc/51/89/22/1162518922.db2.gz ZTIZIKPMMKVNFY-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001571461863 1162769183 /nfs/dbraw/zinc/76/91/83/1162769183.db2.gz UGIOYPPYTJWIKK-UONOGXRCSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CCC)C1 ZINC001571492130 1162781986 /nfs/dbraw/zinc/78/19/86/1162781986.db2.gz ZZSRCHRHAJZIRM-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001571565855 1162812589 /nfs/dbraw/zinc/81/25/89/1162812589.db2.gz HGQZKWMFVDQJPD-JKSUJKDBSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001670469756 1157447139 /nfs/dbraw/zinc/44/71/39/1157447139.db2.gz LPSGLABQPURNJT-IAGOWNOFSA-N 2 0 321.465 0.993 20 30 DCEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001670557616 1157461918 /nfs/dbraw/zinc/46/19/18/1157461918.db2.gz VRALWBGCCBOYAM-GDBMZVCRSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@@H+](C)C[C@@H](C)O)C2)CC1 ZINC001691997534 1157565324 /nfs/dbraw/zinc/56/53/24/1157565324.db2.gz DMYBFVVOALLQFU-HZPDHXFCSA-N 2 0 321.465 0.493 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1OCC ZINC001692042384 1157636661 /nfs/dbraw/zinc/63/66/61/1157636661.db2.gz RCUMELVYDPALTR-GVDBMIGSSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001691352524 1157650932 /nfs/dbraw/zinc/65/09/32/1157650932.db2.gz ZNVGYCPJCWEXGS-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+][C@H](C)COC)C2)CC1 ZINC001691480947 1157798974 /nfs/dbraw/zinc/79/89/74/1157798974.db2.gz AGBCHPGTZKTQDG-INMHGKMJSA-N 2 0 321.465 0.851 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001670903214 1158622875 /nfs/dbraw/zinc/62/28/75/1158622875.db2.gz BRTLKPRNITZLDM-OKILXGFUSA-N 2 0 322.453 0.400 20 30 DCEDRP CC#CC[NH2+]CC1(NC(=O)CCCC[NH+](C)C)CCOCC1 ZINC001274008709 1158971866 /nfs/dbraw/zinc/97/18/66/1158971866.db2.gz VAMOXOSZMOBDKI-UHFFFAOYSA-N 2 0 309.454 0.997 20 30 DCEDRP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001263931882 1159146054 /nfs/dbraw/zinc/14/60/54/1159146054.db2.gz MXCVVFGFVJFIIB-IXDOHACOSA-N 2 0 321.465 0.853 20 30 DCEDRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1CC#CCOC ZINC001566012398 1159943189 /nfs/dbraw/zinc/94/31/89/1159943189.db2.gz LBELWVQKQMUZNZ-WCXIOVBPSA-N 2 0 321.465 0.946 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001566654028 1160113578 /nfs/dbraw/zinc/11/35/78/1160113578.db2.gz FBCNXQWHYXDTFR-CALCHBBNSA-N 2 0 320.481 0.616 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001566717700 1160136221 /nfs/dbraw/zinc/13/62/21/1160136221.db2.gz UOQZNOWAOPPGTI-INIZCTEOSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCC[NH+]1CCN(CCN(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001567720923 1160464590 /nfs/dbraw/zinc/46/45/90/1160464590.db2.gz OGDYEFIYPRXREZ-UHFFFAOYSA-N 2 0 318.465 0.182 20 30 DCEDRP CC[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]CC#CCOC ZINC001567990602 1160558580 /nfs/dbraw/zinc/55/85/80/1160558580.db2.gz LAHFHNKDGSXNAB-MRXNPFEDSA-N 2 0 309.454 0.997 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001568453907 1160649421 /nfs/dbraw/zinc/64/94/21/1160649421.db2.gz BAZTZZWZQQGXBD-LSDHHAIUSA-N 2 0 324.469 0.503 20 30 DCEDRP C=CCN1CC[C@H]([N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C)C1=O ZINC001569136589 1160956028 /nfs/dbraw/zinc/95/60/28/1160956028.db2.gz VLHFWZRGAKPSBR-KGLIPLIRSA-N 2 0 310.442 0.162 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001569759948 1161231209 /nfs/dbraw/zinc/23/12/09/1161231209.db2.gz PWJUTAPTPUTAFV-SJLPKXTDSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001569811279 1161255778 /nfs/dbraw/zinc/25/57/78/1161255778.db2.gz OOYQWWWAJQCYKH-CABCVRRESA-N 2 0 317.437 0.518 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCO1 ZINC001570153018 1161454066 /nfs/dbraw/zinc/45/40/66/1161454066.db2.gz CFZUPPHRIDEGEU-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001570187392 1161481952 /nfs/dbraw/zinc/48/19/52/1161481952.db2.gz LJGZSABJAGANQN-INIZCTEOSA-N 2 0 307.438 0.703 20 30 DCEDRP C#CC[NH2+]C1(C)CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC001570375292 1161582868 /nfs/dbraw/zinc/58/28/68/1161582868.db2.gz OGVXRKDQGCXKCH-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C[C@H](CCC#N)[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001575941248 1164189350 /nfs/dbraw/zinc/18/93/50/1164189350.db2.gz MMRBDOQXOZKZJY-VHDGCEQUSA-N 2 0 305.426 0.899 20 30 DCEDRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC001575962565 1164194865 /nfs/dbraw/zinc/19/48/65/1164194865.db2.gz UKIAHGSPLZBLHV-LSDHHAIUSA-N 2 0 309.458 0.540 20 30 DCEDRP CCC1([NH+]2CCC2)CCN(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC001577230501 1164643578 /nfs/dbraw/zinc/64/35/78/1164643578.db2.gz OHEJUHXCSFWBCB-KBPBESRZSA-N 2 0 305.426 0.758 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1Cc3ccccc3[C@H]1[NH3+])C2 ZINC001646813704 1172547027 /nfs/dbraw/zinc/54/70/27/1172547027.db2.gz LIABZRZFJIOGPP-DCRLHVPBSA-N 2 0 310.401 0.867 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)C2 ZINC001650388549 1173610522 /nfs/dbraw/zinc/61/05/22/1173610522.db2.gz YKAZQUZLTXZOOV-QZGSDSDNSA-N 2 0 316.327 0.474 20 30 DCEDRP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001656779495 1173882973 /nfs/dbraw/zinc/88/29/73/1173882973.db2.gz BDZXUGGYRGBJDJ-INIZCTEOSA-N 2 0 309.454 0.800 20 30 DCEDRP COCC#CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001660753108 1174044786 /nfs/dbraw/zinc/04/47/86/1174044786.db2.gz MIBPQKKRJGRZSH-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001660765094 1174047311 /nfs/dbraw/zinc/04/73/11/1174047311.db2.gz NBIHVFCSIABDQK-INIZCTEOSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001660794784 1174052030 /nfs/dbraw/zinc/05/20/30/1174052030.db2.gz UWLCNDKSYAIFAD-HNNXBMFYSA-N 2 0 307.438 0.511 20 30 DCEDRP C=CC[NH+]1CCN(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001660925309 1174069697 /nfs/dbraw/zinc/06/96/97/1174069697.db2.gz JSSLASOMGASERN-INIZCTEOSA-N 2 0 308.470 0.781 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001661157493 1174102869 /nfs/dbraw/zinc/10/28/69/1174102869.db2.gz TUPLBKCGLKJMOC-XIRDDKMYSA-N 2 0 321.465 0.851 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001661995223 1174173461 /nfs/dbraw/zinc/17/34/61/1174173461.db2.gz DZACZSSBGGAYEL-GJZGRUSLSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]C[C@H]2CCOC2)CC1 ZINC001663014275 1174257824 /nfs/dbraw/zinc/25/78/24/1174257824.db2.gz QFTNUGCZAYNXSY-JKSUJKDBSA-N 2 0 321.465 0.853 20 30 DCEDRP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001663620903 1174333537 /nfs/dbraw/zinc/33/35/37/1174333537.db2.gz RRKXWULCTCLQDJ-LSDHHAIUSA-N 2 0 322.453 0.163 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCOC)[C@@H](C)C2)CC1 ZINC001667216357 1174669801 /nfs/dbraw/zinc/66/98/01/1174669801.db2.gz GUSPBXCOUAFQIO-RDJZCZTQSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001667701583 1174703517 /nfs/dbraw/zinc/70/35/17/1174703517.db2.gz NJIPOLSHTBCODR-SJORKVTESA-N 2 0 321.465 0.899 20 30 DCEDRP C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001671603833 1175021559 /nfs/dbraw/zinc/02/15/59/1175021559.db2.gz UHPGHMAKZYIGTJ-INIZCTEOSA-N 2 0 308.470 0.733 20 30 DCEDRP C=CCN1CC[C@@H]([N@H+](C)CCCNC(=O)C[NH+]2CCCC2)C1=O ZINC001689887617 1177103244 /nfs/dbraw/zinc/10/32/44/1177103244.db2.gz JULNUKPXVZMEFS-OAHLLOKOSA-N 2 0 322.453 0.307 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001690370388 1177225919 /nfs/dbraw/zinc/22/59/19/1177225919.db2.gz UMFQBJBMLCAFLS-GASCZTMLSA-N 2 0 322.453 0.401 20 30 DCEDRP C#CCC[NH+](CCO)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001692245153 1177458206 /nfs/dbraw/zinc/45/82/06/1177458206.db2.gz MCJGTUPZLIIKJJ-IRXDYDNUSA-N 2 0 321.465 0.637 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001698803102 1177666245 /nfs/dbraw/zinc/66/62/45/1177666245.db2.gz FDJITYPALKJSNY-UHFFFAOYSA-N 2 0 307.438 0.751 20 30 DCEDRP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC001698954250 1177735244 /nfs/dbraw/zinc/73/52/44/1177735244.db2.gz ZKTUYCXMNILHKA-MRXNPFEDSA-N 2 0 307.438 0.511 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001699013807 1177772550 /nfs/dbraw/zinc/77/25/50/1177772550.db2.gz AMWQWMAZRAIJJO-HOTGVXAUSA-N 2 0 307.438 0.511 20 30 DCEDRP C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001699047784 1177796138 /nfs/dbraw/zinc/79/61/38/1177796138.db2.gz ONRNJWRGOBHUNO-ZBFHGGJFSA-N 2 0 309.454 0.894 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001699703946 1178256658 /nfs/dbraw/zinc/25/66/58/1178256658.db2.gz OXRPEEYROGGICT-SFHVURJKSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CCOCC1 ZINC001699881245 1178329300 /nfs/dbraw/zinc/32/93/00/1178329300.db2.gz WIWPVCPQESBTJU-MRXNPFEDSA-N 2 0 321.465 0.995 20 30 DCEDRP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001699898080 1178349505 /nfs/dbraw/zinc/34/95/05/1178349505.db2.gz LNRAEDLTACJINJ-UXLLHSPISA-N 2 0 307.438 0.293 20 30 DCEDRP C=CC[NH2+]CCN(CCO)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001700038428 1178452857 /nfs/dbraw/zinc/45/28/57/1178452857.db2.gz HWRZAFZMCWDBGM-MRXNPFEDSA-N 2 0 315.433 0.795 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001700294610 1178567706 /nfs/dbraw/zinc/56/77/06/1178567706.db2.gz ZDEBCCJCOSCBJD-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CCC(C)C)CC1 ZINC001700809000 1178759758 /nfs/dbraw/zinc/75/97/58/1178759758.db2.gz WVEJVZNYSYPJKD-INIZCTEOSA-N 2 0 309.454 0.444 20 30 DCEDRP COCC#CC[N@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001713771634 1181055458 /nfs/dbraw/zinc/05/54/58/1181055458.db2.gz NTDRKLXYTXQYAO-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001714047650 1181224520 /nfs/dbraw/zinc/22/45/20/1181224520.db2.gz DYFASOFVKHZWFP-JKSUJKDBSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001714125509 1181255831 /nfs/dbraw/zinc/25/58/31/1181255831.db2.gz XAEKGPSOXKEZBC-GJZGRUSLSA-N 2 0 322.453 0.095 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001714758204 1181527860 /nfs/dbraw/zinc/52/78/60/1181527860.db2.gz ZTGUFCIDQDSKET-CQSZACIVSA-N 2 0 324.469 0.150 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001714898833 1181595112 /nfs/dbraw/zinc/59/51/12/1181595112.db2.gz YYPGVSKHXGYDLE-IRXDYDNUSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CC2CCCC2)CC1 ZINC001715615727 1181901502 /nfs/dbraw/zinc/90/15/02/1181901502.db2.gz MQUIGJAVIHHQTM-KRWDZBQOSA-N 2 0 321.465 0.589 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001716762923 1182517506 /nfs/dbraw/zinc/51/75/06/1182517506.db2.gz DJQORKOFISOCPL-KBPBESRZSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001716771439 1182519788 /nfs/dbraw/zinc/51/97/88/1182519788.db2.gz VBSIIDMZWFLSGC-GJZGRUSLSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CCC[NH2+][C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC001717277870 1182763431 /nfs/dbraw/zinc/76/34/31/1182763431.db2.gz BHHGGTHXZYROGK-HOCLYGCPSA-N 2 0 317.437 0.518 20 30 DCEDRP COCC#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001717304842 1182773343 /nfs/dbraw/zinc/77/33/43/1182773343.db2.gz UXAGXUXMSLEDLY-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCC[NH+]1CCC(CO)(NC(=O)CCc2c[nH]cn2)CC1 ZINC001717351307 1182795686 /nfs/dbraw/zinc/79/56/86/1182795686.db2.gz LZFJNTTULQHYAA-UHFFFAOYSA-N 2 0 306.410 0.862 20 30 DCEDRP C#CCNC(=O)CN(C)C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001717374999 1182808046 /nfs/dbraw/zinc/80/80/46/1182808046.db2.gz YFYMHRBMDKZRBP-HNNXBMFYSA-N 2 0 322.453 0.000 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001717642158 1182935205 /nfs/dbraw/zinc/93/52/05/1182935205.db2.gz LTFZQWVTNZPDOB-SHTZXODSSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001717938144 1183075696 /nfs/dbraw/zinc/07/56/96/1183075696.db2.gz GCRRKIVGDIELTR-HRCADAONSA-N 2 0 309.454 0.491 20 30 DCEDRP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001724221621 1184402486 /nfs/dbraw/zinc/40/24/86/1184402486.db2.gz AFQWCOVLTVUGSF-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[N@H+]1CC[C@](O)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001724420145 1184438129 /nfs/dbraw/zinc/43/81/29/1184438129.db2.gz NEFSWQVVLRWBIK-SFHVURJKSA-N 2 0 315.417 0.548 20 30 DCEDRP C#CC[NH2+]C1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001724632252 1184483090 /nfs/dbraw/zinc/48/30/90/1184483090.db2.gz ZAJGTBPMTQCHBR-QGZVFWFLSA-N 2 0 320.481 0.663 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCO1 ZINC001724811807 1184567487 /nfs/dbraw/zinc/56/74/87/1184567487.db2.gz PSUIWLFGSKBLRX-OWCLPIDISA-N 2 0 307.438 0.557 20 30 DCEDRP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001724906382 1184613925 /nfs/dbraw/zinc/61/39/25/1184613925.db2.gz WXBPIFIOPRTNHL-AEFFLSMTSA-N 2 0 321.465 0.847 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001724940379 1184630171 /nfs/dbraw/zinc/63/01/71/1184630171.db2.gz DXLVVQZHQHVCLU-KBPBESRZSA-N 2 0 322.453 0.067 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CC#CC)C2)CC1 ZINC001725370089 1184789679 /nfs/dbraw/zinc/78/96/79/1184789679.db2.gz UFJWMQMTZMNTKM-JCNLHEQBSA-N 2 0 301.434 0.839 20 30 DCEDRP COCC#CC[NH2+][C@H](CCNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001725446048 1184829665 /nfs/dbraw/zinc/82/96/65/1184829665.db2.gz PEHZTZKVVRFTKL-MRXNPFEDSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001725696160 1184948927 /nfs/dbraw/zinc/94/89/27/1184948927.db2.gz SAUPHDWKNYKEHQ-DOTOQJQBSA-N 2 0 321.465 0.683 20 30 DCEDRP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001725715355 1184965994 /nfs/dbraw/zinc/96/59/94/1184965994.db2.gz FPFQIQDIKQRNHS-HOTGVXAUSA-N 2 0 309.454 0.635 20 30 DCEDRP C=C(Cl)C[NH2+]CCOCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001725803802 1185000166 /nfs/dbraw/zinc/00/01/66/1185000166.db2.gz HELCHSYEVXTDNB-ZDUSSCGKSA-N 2 0 303.834 0.755 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001731424656 1185326887 /nfs/dbraw/zinc/32/68/87/1185326887.db2.gz JRUXSAXUACERQQ-IRXDYDNUSA-N 2 0 321.465 0.758 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001731595460 1185403877 /nfs/dbraw/zinc/40/38/77/1185403877.db2.gz VBZDXMTYJXSBMI-HZSPNIEDSA-N 2 0 310.442 0.113 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CC[C@@H]2CCCO2)CC1 ZINC001731640933 1185423638 /nfs/dbraw/zinc/42/36/38/1185423638.db2.gz QMVOCJJDMBNICB-WBVHZDCISA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCn2cccn2)CC1 ZINC001731640305 1185423728 /nfs/dbraw/zinc/42/37/28/1185423728.db2.gz MFWQOFVMJFYKMJ-OAHLLOKOSA-N 2 0 317.437 0.323 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001731703773 1185450190 /nfs/dbraw/zinc/45/01/90/1185450190.db2.gz QJAXQAKUTMLHBS-CVEARBPZSA-N 2 0 307.438 0.749 20 30 DCEDRP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001731760410 1185472138 /nfs/dbraw/zinc/47/21/38/1185472138.db2.gz DFRHHHLYFACXRT-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCOCC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001733726841 1186415688 /nfs/dbraw/zinc/41/56/88/1186415688.db2.gz SNNKZGPYIAKPHM-UHFFFAOYSA-N 2 0 307.438 0.913 20 30 DCEDRP C=CC[NH+]1CCC(CO)(NC(=O)[C@H]2CCn3ccnc3C2)CC1 ZINC001733914922 1186495557 /nfs/dbraw/zinc/49/55/57/1186495557.db2.gz QRZGPKXGRIVZJA-AWEZNQCLSA-N 2 0 318.421 0.575 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001752775619 1188438630 /nfs/dbraw/zinc/43/86/30/1188438630.db2.gz PXUZHLZASPFOEO-IXDOHACOSA-N 2 0 321.465 0.993 20 30 DCEDRP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001752790409 1188442033 /nfs/dbraw/zinc/44/20/33/1188442033.db2.gz XXHREWLKOXRJPF-HOTGVXAUSA-N 2 0 309.454 0.969 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001754449212 1188855442 /nfs/dbraw/zinc/85/54/42/1188855442.db2.gz MVVJBRLOQOSOKM-OAHLLOKOSA-N 2 0 307.438 0.462 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001754599837 1188887284 /nfs/dbraw/zinc/88/72/84/1188887284.db2.gz VMAPOIYLCOQVKV-CVEARBPZSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001754600217 1188887333 /nfs/dbraw/zinc/88/73/33/1188887333.db2.gz ZROBRARLUCNBCL-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@](C)(C[NH2+]C[C@H](C)O)C2)CC1 ZINC001754712302 1188909828 /nfs/dbraw/zinc/90/98/28/1188909828.db2.gz HPOIYLCKVQGLON-MAUKXSAKSA-N 2 0 321.465 0.541 20 30 DCEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001754758761 1188925658 /nfs/dbraw/zinc/92/56/58/1188925658.db2.gz DSJPVBBFOOOAPE-WMLDXEAASA-N 2 0 320.437 0.870 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001754857533 1188951325 /nfs/dbraw/zinc/95/13/25/1188951325.db2.gz JQHDJIIPDHUFKN-QGZVFWFLSA-N 2 0 307.438 0.295 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)c2ccn(CC[NH+](C)C)n2)CCC1 ZINC001754980938 1188986346 /nfs/dbraw/zinc/98/63/46/1188986346.db2.gz WZQGCESWPVHJOI-UHFFFAOYSA-N 2 0 317.437 0.710 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001755033831 1189001732 /nfs/dbraw/zinc/00/17/32/1189001732.db2.gz FYGQBYGZEAHJJJ-GJZGRUSLSA-N 2 0 322.453 0.211 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001755477577 1189122985 /nfs/dbraw/zinc/12/29/85/1189122985.db2.gz YCYAGMPAJMLBOL-SHTZXODSSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C[NH2+]C[C@H](C)O)C2CC2)CC1 ZINC001755573143 1189150448 /nfs/dbraw/zinc/15/04/48/1189150448.db2.gz NIUILNHEEGHRBY-WMLDXEAASA-N 2 0 321.465 0.539 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001755573079 1189150919 /nfs/dbraw/zinc/15/09/19/1189150919.db2.gz MGSWSZBXPBFWLU-CABCVRRESA-N 2 0 322.453 0.067 20 30 DCEDRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001124873209 751728665 /nfs/dbraw/zinc/72/86/65/751728665.db2.gz SIXWEYVLTJNHHJ-HNNXBMFYSA-N 2 0 304.369 0.997 20 30 DCEDRP COCC#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001167237102 747034190 /nfs/dbraw/zinc/03/41/90/747034190.db2.gz UNWSYTMSFKKVRU-HZPDHXFCSA-N 2 0 321.465 0.710 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001203431382 749858883 /nfs/dbraw/zinc/85/88/83/749858883.db2.gz FCEUBKMZGAUNSR-UHFFFAOYSA-N 2 0 324.469 0.601 20 30 DCEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518977 750088908 /nfs/dbraw/zinc/08/89/08/750088908.db2.gz YATFTGZAYSJMFJ-XHSDSOJGSA-N 2 0 309.454 0.702 20 30 DCEDRP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083522175 750090993 /nfs/dbraw/zinc/09/09/93/750090993.db2.gz WMJJZARKICNVHH-OAGGEKHMSA-N 2 0 307.438 0.149 20 30 DCEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083524421 750096036 /nfs/dbraw/zinc/09/60/36/750096036.db2.gz UDQXBLVOFDVMLN-OAGGEKHMSA-N 2 0 307.438 0.434 20 30 DCEDRP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077128087 750214623 /nfs/dbraw/zinc/21/46/23/750214623.db2.gz WMJJZARKICNVHH-BZUAXINKSA-N 2 0 307.438 0.149 20 30 DCEDRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1)[NH+](C)C ZINC001106312962 751107567 /nfs/dbraw/zinc/10/75/67/751107567.db2.gz QKBYWVCZBNSGOB-BZUAXINKSA-N 2 0 309.454 0.661 20 30 DCEDRP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC2(CCOCC2)C1 ZINC001089967461 753155705 /nfs/dbraw/zinc/15/57/05/753155705.db2.gz DOEMJVVACBTVLQ-HZPDHXFCSA-N 2 0 319.449 0.559 20 30 DCEDRP C=CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC001046064135 753457472 /nfs/dbraw/zinc/45/74/72/753457472.db2.gz GFDQAQDAEVALKR-IRXDYDNUSA-N 2 0 320.481 0.875 20 30 DCEDRP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001046064484 753458785 /nfs/dbraw/zinc/45/87/85/753458785.db2.gz OHQUCMKJEBXJAM-IAGOWNOFSA-N 2 0 318.465 0.180 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001047382176 754230179 /nfs/dbraw/zinc/23/01/79/754230179.db2.gz XRAZZCJGSFVBGH-ULQDDVLXSA-N 2 0 321.465 0.798 20 30 DCEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001047529174 754364144 /nfs/dbraw/zinc/36/41/44/754364144.db2.gz SRJPDKHSAJQQQO-GJZGRUSLSA-N 2 0 307.438 0.245 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C[NH+](CC)CC)C1=O ZINC001168755121 754392649 /nfs/dbraw/zinc/39/26/49/754392649.db2.gz IMHNZZQZLZUBSI-CQSZACIVSA-N 2 0 310.442 0.211 20 30 DCEDRP C=CCN1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001047583715 754410076 /nfs/dbraw/zinc/41/00/76/754410076.db2.gz GGKSFLOXAVODJQ-HOTGVXAUSA-N 2 0 309.454 0.796 20 30 DCEDRP C=C(Cl)C[N@@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098466672 762305721 /nfs/dbraw/zinc/30/57/21/762305721.db2.gz RFRWMIYSNUZIFR-UHFFFAOYSA-N 2 0 317.861 0.976 20 30 DCEDRP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049216302 755187361 /nfs/dbraw/zinc/18/73/61/755187361.db2.gz YFDQKEWSWHZFPK-ZACQAIPSSA-N 2 0 319.449 0.368 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001081979518 756891435 /nfs/dbraw/zinc/89/14/35/756891435.db2.gz BKIOTWAKJJOQCO-BRWVUGGUSA-N 2 0 319.449 0.700 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=C)C)C[C@@H]2O)CC1 ZINC001084088069 757668152 /nfs/dbraw/zinc/66/81/52/757668152.db2.gz OLYMIYVOJDCHFG-CVEARBPZSA-N 2 0 305.422 0.069 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2O)CC1 ZINC001084088068 757668475 /nfs/dbraw/zinc/66/84/75/757668475.db2.gz OLVSCRZPPAVGOW-SJORKVTESA-N 2 0 319.449 0.293 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)C[C@@H]21 ZINC001084910869 758119324 /nfs/dbraw/zinc/11/93/24/758119324.db2.gz FTIGEANSFJQXOZ-PMPSAXMXSA-N 2 0 307.438 0.816 20 30 DCEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN(C(C)C)CCO3)C[C@@H]21 ZINC001085016913 758169063 /nfs/dbraw/zinc/16/90/63/758169063.db2.gz VOUIFWSOCMBIMF-IKGGRYGDSA-N 2 0 319.449 0.652 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](C)O)CC1 ZINC001098462904 762677060 /nfs/dbraw/zinc/67/70/60/762677060.db2.gz UMHWMOCFXOYSEW-SVGFKBNWSA-N 2 0 319.449 0.434 20 30 DCEDRP C=C(C)C[NH+]1CCN([C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001052118580 759190621 /nfs/dbraw/zinc/19/06/21/759190621.db2.gz RWEFMGLDHOFIDB-QGZVFWFLSA-N 2 0 320.481 0.877 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001098393610 759299937 /nfs/dbraw/zinc/29/99/37/759299937.db2.gz HAULYSSNLJQMDZ-UHFFFAOYSA-N 2 0 321.465 0.779 20 30 DCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001086152293 759771585 /nfs/dbraw/zinc/77/15/85/759771585.db2.gz AAYGSDSLKVUAEJ-FWPNWONVSA-N 2 0 305.422 0.520 20 30 DCEDRP CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC#CCOC)C2)[NH+](C)C ZINC001148292602 767960546 /nfs/dbraw/zinc/96/05/46/767960546.db2.gz MKGRHQRHEGNCLO-HNNXBMFYSA-N 2 0 307.438 0.511 20 30 DCEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001070276656 761161454 /nfs/dbraw/zinc/16/14/54/761161454.db2.gz STOYFUYZMQZADR-ILXRZTDVSA-N 2 0 320.441 0.536 20 30 DCEDRP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@H](C)O2 ZINC001071241431 761732686 /nfs/dbraw/zinc/73/26/86/761732686.db2.gz UYWZRAXDPRITNK-RDJZCZTQSA-N 2 0 307.438 0.960 20 30 DCEDRP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001110101662 762857516 /nfs/dbraw/zinc/85/75/16/762857516.db2.gz ZCNHDRVUUVSJBS-FZKCQIBNSA-N 2 0 307.438 0.862 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001114263320 762908313 /nfs/dbraw/zinc/90/83/13/762908313.db2.gz SWHYOANBSIDEEV-VVLHAWIVSA-N 2 0 319.449 0.555 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001114291073 762923529 /nfs/dbraw/zinc/92/35/29/762923529.db2.gz RTRWHKHVBFQROB-NCOADZHNSA-N 2 0 317.433 0.024 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129436032 762942324 /nfs/dbraw/zinc/94/23/24/762942324.db2.gz LKYGXEGHMAXXHF-MRXNPFEDSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CC[NH2+]C1CC(CNC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001100686891 763724722 /nfs/dbraw/zinc/72/47/22/763724722.db2.gz XIKFDPZZNUZADA-QQFBHYJXSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001100989207 763901308 /nfs/dbraw/zinc/90/13/08/763901308.db2.gz ODIRJZRAZPUQIY-QQFBHYJXSA-N 2 0 307.438 0.462 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171895 764001618 /nfs/dbraw/zinc/00/16/18/764001618.db2.gz PBDMACJIUWGXQG-NUJGCVRESA-N 2 0 319.449 0.511 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001098477641 764083804 /nfs/dbraw/zinc/08/38/04/764083804.db2.gz CTIFIJMIJMDZBR-MRXNPFEDSA-N 2 0 321.465 0.637 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001133690663 765095269 /nfs/dbraw/zinc/09/52/69/765095269.db2.gz SHSKRBCAPCFNDK-ZIAGYGMSSA-N 2 0 312.458 0.503 20 30 DCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112159050 765468142 /nfs/dbraw/zinc/46/81/42/765468142.db2.gz NCHGMEIQQXGTHI-VXGBXAGGSA-N 2 0 305.344 0.940 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112188838 765470675 /nfs/dbraw/zinc/47/06/75/765470675.db2.gz BIOGRPGSEARMOC-VXGBXAGGSA-N 2 0 305.344 0.940 20 30 DCEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001134398472 765506144 /nfs/dbraw/zinc/50/61/44/765506144.db2.gz BJVKMIAVZYNUEA-UONOGXRCSA-N 2 0 305.426 0.564 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC001137521322 765535873 /nfs/dbraw/zinc/53/58/73/765535873.db2.gz QRMQUYJKYBSUMN-JKSUJKDBSA-N 2 0 309.454 0.988 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCCCC1 ZINC001115546238 765756238 /nfs/dbraw/zinc/75/62/38/765756238.db2.gz HUDJELQEZWRWRS-JKSUJKDBSA-N 2 0 319.449 0.892 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001135477379 765950573 /nfs/dbraw/zinc/95/05/73/765950573.db2.gz FTIHSPQDKJHXSF-OAHLLOKOSA-N 2 0 312.458 0.361 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135976210 766197760 /nfs/dbraw/zinc/19/77/60/766197760.db2.gz HWSSNVSISJADCX-KBPBESRZSA-N 2 0 312.458 0.503 20 30 DCEDRP N#C/N=C1\SCCN1Cc1ccc(N[C@H]([NH3+])CCC[NH3+])nc1 ZINC001170898849 766249396 /nfs/dbraw/zinc/24/93/96/766249396.db2.gz QDTDWXQBWURRQZ-DSVMPHHWSA-N 2 0 319.438 0.903 20 30 DCEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090542224 766305486 /nfs/dbraw/zinc/30/54/86/766305486.db2.gz BOLBLPHPCKLTEE-HOTGVXAUSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090625292 766390420 /nfs/dbraw/zinc/39/04/20/766390420.db2.gz STENJQITZAIPCK-HZPDHXFCSA-N 2 0 307.438 0.293 20 30 DCEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](O)C1 ZINC001090672937 766455461 /nfs/dbraw/zinc/45/54/61/766455461.db2.gz HJRRHSUQXMMERJ-HZPDHXFCSA-N 2 0 309.454 0.846 20 30 DCEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090731830 766528478 /nfs/dbraw/zinc/52/84/78/766528478.db2.gz WYKMWYUQUFGUCG-LSDHHAIUSA-N 2 0 307.438 0.600 20 30 DCEDRP COCC#CC[NH2+]C1CC2(CC(NC(=O)CCC[NH+](C)C)C2)C1 ZINC001121663909 767617004 /nfs/dbraw/zinc/61/70/04/767617004.db2.gz UGENJFRYZJZOCC-UHFFFAOYSA-N 2 0 321.465 0.995 20 30 DCEDRP CC[N@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CC#CCOC)C2 ZINC001122023349 767699333 /nfs/dbraw/zinc/69/93/33/767699333.db2.gz OACJPMZJGFSVGX-UHFFFAOYSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001149855136 768885958 /nfs/dbraw/zinc/88/59/58/768885958.db2.gz VRPHSMMSEQOQDU-MRXNPFEDSA-N 2 0 307.438 0.701 20 30 DCEDRP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151073220 769252876 /nfs/dbraw/zinc/25/28/76/769252876.db2.gz GRLHSFWSJNLBLF-CABCVRRESA-N 2 0 324.469 0.457 20 30 DCEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCN(CC[NH3+])N(O)N=O ZINC001172300578 769466736 /nfs/dbraw/zinc/46/67/36/769466736.db2.gz XFXRCTQYSKUGNC-GFCCVEGCSA-N 2 0 306.370 0.627 20 30 DCEDRP N#Cc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1F ZINC001235870941 769955110 /nfs/dbraw/zinc/95/51/10/769955110.db2.gz MHGBJDISYALGAE-UHFFFAOYSA-N 2 0 305.401 0.282 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C[C@H](CC)OC)CC1 ZINC001176926605 770226837 /nfs/dbraw/zinc/22/68/37/770226837.db2.gz QDZXHBIXSOXNRY-INIZCTEOSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176992579 770282788 /nfs/dbraw/zinc/28/27/88/770282788.db2.gz UUUVVLMOIIBUEY-LSDHHAIUSA-N 2 0 324.469 0.647 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179435529 771005023 /nfs/dbraw/zinc/00/50/23/771005023.db2.gz UGIOYPPYTJWIKK-KBPBESRZSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001157749202 771663062 /nfs/dbraw/zinc/66/30/62/771663062.db2.gz ZCCMQRLXZZLZHL-CVEARBPZSA-N 2 0 307.438 0.653 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158867015 771829474 /nfs/dbraw/zinc/82/94/74/771829474.db2.gz XYHCDWHJCKQHQC-DLBZAZTESA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001184962109 771847331 /nfs/dbraw/zinc/84/73/31/771847331.db2.gz OXGOAXOGZDIMDO-ZNMIVQPWSA-N 2 0 322.453 0.352 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185265637 771895081 /nfs/dbraw/zinc/89/50/81/771895081.db2.gz ROLNANWFUPEDMR-UONOGXRCSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001186235042 772018793 /nfs/dbraw/zinc/01/87/93/772018793.db2.gz OYRALWPUGAKZRR-OAHLLOKOSA-N 2 0 305.426 0.825 20 30 DCEDRP C=CC[N@@H+]1CCC[C@H]1CNc1cncc(N2CC[NH2+]CC2)n1 ZINC001160953559 772142148 /nfs/dbraw/zinc/14/21/48/772142148.db2.gz FKMRAPAFEDRTAM-AWEZNQCLSA-N 2 0 302.426 0.949 20 30 DCEDRP N#Cc1c2c(cnc1N1CC[C@@H]3[NH2+]CCO[C@H]3C1)C[NH2+]CCC2 ZINC001165269045 772713756 /nfs/dbraw/zinc/71/37/56/772713756.db2.gz BEKINHPGWQFHMO-HOTGVXAUSA-N 2 0 313.405 0.556 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001192342913 772907282 /nfs/dbraw/zinc/90/72/82/772907282.db2.gz LPKWGBABHPGPMF-JKSUJKDBSA-N 2 0 307.438 0.653 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192679859 772947591 /nfs/dbraw/zinc/94/75/91/772947591.db2.gz GOORJJGXBWNABI-QGZVFWFLSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001205344191 772988135 /nfs/dbraw/zinc/98/81/35/772988135.db2.gz CKGZOKAJHLQXER-JKSUJKDBSA-N 2 0 307.438 0.864 20 30 DCEDRP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001207454471 773211894 /nfs/dbraw/zinc/21/18/94/773211894.db2.gz YALNJBRIFBCVKM-UKRRQHHQSA-N 2 0 306.410 0.981 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001208329416 773434670 /nfs/dbraw/zinc/43/46/70/773434670.db2.gz VOKOBTKWKPKEJH-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001208413763 773455575 /nfs/dbraw/zinc/45/55/75/773455575.db2.gz ASIOVJCXZCZUFB-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001208414588 773455616 /nfs/dbraw/zinc/45/56/16/773455616.db2.gz TVHUUVQAISMZHT-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330394 773699243 /nfs/dbraw/zinc/69/92/43/773699243.db2.gz XGKNRYVGHCYLHW-HUUCEWRRSA-N 2 0 307.438 0.721 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210674337 773728689 /nfs/dbraw/zinc/72/86/89/773728689.db2.gz SRCFUCPPBHJYOO-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cncn2C)C1 ZINC001197776382 773798264 /nfs/dbraw/zinc/79/82/64/773798264.db2.gz UWMGLQZGVOHCFP-HZPDHXFCSA-N 2 0 320.437 0.870 20 30 DCEDRP C=CCNC(=O)[C@H](C)N1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001198097778 773853512 /nfs/dbraw/zinc/85/35/12/773853512.db2.gz HGSQXQMJXHEIIK-GJZGRUSLSA-N 2 0 322.453 0.163 20 30 DCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216757867 774134069 /nfs/dbraw/zinc/13/40/69/774134069.db2.gz OSCODRJDQLSJAR-BZUAXINKSA-N 2 0 307.438 0.415 20 30 DCEDRP N#C[C@H]1C[NH2+]C[C@H]1Oc1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC001218199121 774215504 /nfs/dbraw/zinc/21/55/04/774215504.db2.gz AKXWFDHNTANFQD-DZGCQCFKSA-N 2 0 300.362 0.222 20 30 DCEDRP C[N+](C)(C)C[C@@H](CC#N)Oc1ccc(C[C@H]([NH3+])C(N)=O)cc1 ZINC001218291795 774220107 /nfs/dbraw/zinc/22/01/07/774220107.db2.gz QAGPPQMWRMXTLB-CABCVRRESA-O 2 0 305.402 0.409 20 30 DCEDRP N#Cc1c(NC(=O)[C@H]2C[NH2+]CC[C@@H]2O)sc2c1CC[NH2+]C2 ZINC001218552464 774245555 /nfs/dbraw/zinc/24/55/55/774245555.db2.gz GNFQMLPQGBAYDT-QWRGUYRKSA-N 2 0 306.391 0.174 20 30 DCEDRP N#Cc1c2c(sc1NC(=O)[C@@H]1C[NH2+]CCC1=O)C[NH2+]CC2 ZINC001218552433 774245569 /nfs/dbraw/zinc/24/55/69/774245569.db2.gz GGWVZJVFYSKGIH-SNVBAGLBSA-N 2 0 304.375 0.383 20 30 DCEDRP N#Cc1c(NC(=O)[C@@H]2C[NH2+]CC[C@@H]2O)sc2c1CC[NH2+]C2 ZINC001218552463 774246245 /nfs/dbraw/zinc/24/62/45/774246245.db2.gz GNFQMLPQGBAYDT-MNOVXSKESA-N 2 0 306.391 0.174 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCCO1 ZINC001200794393 774409500 /nfs/dbraw/zinc/40/95/00/774409500.db2.gz BYPHLRSDVZTXOY-INIZCTEOSA-N 2 0 319.449 0.703 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CCCO1 ZINC001200976412 774433432 /nfs/dbraw/zinc/43/34/32/774433432.db2.gz SRIFECZJFRCEES-INIZCTEOSA-N 2 0 312.373 0.788 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1 ZINC001201263345 774479954 /nfs/dbraw/zinc/47/99/54/774479954.db2.gz YZDSQHQTQLGLPP-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)CCCO1 ZINC001201391102 774505342 /nfs/dbraw/zinc/50/53/42/774505342.db2.gz XIEKZYWXZHNBMG-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[NH2+]C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001202771527 775045972 /nfs/dbraw/zinc/04/59/72/775045972.db2.gz GKKWIGAUAIGXBO-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224346903 775562429 /nfs/dbraw/zinc/56/24/29/775562429.db2.gz RLQJDJBWZKXLTP-AWEZNQCLSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001111411771 775849482 /nfs/dbraw/zinc/84/94/82/775849482.db2.gz VOEMHHZRRICBED-FPCVCCKLSA-N 2 0 307.438 0.862 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001228342320 776073051 /nfs/dbraw/zinc/07/30/51/776073051.db2.gz XIIFMJQRBUCOTD-IAGOWNOFSA-N 2 0 321.465 0.995 20 30 DCEDRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#CCOC)[NH+](C)C ZINC001228661288 776110659 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951516493 /nfs/dbraw/zinc/51/64/93/951516493.db2.gz JEMHMJNDWMTDGB-GOEBONIOSA-N 2 0 307.438 0.415 20 30 DCEDRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC#CCOC)[C@@H](C)C1 ZINC001281687374 951599942 /nfs/dbraw/zinc/59/99/42/951599942.db2.gz XOWFEDFQCFVJTN-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP CCN1CC[NH+](CCCCNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001332517378 951677849 /nfs/dbraw/zinc/67/78/49/951677849.db2.gz PUOZYHCGSNQTCK-HNNXBMFYSA-N 2 0 309.458 0.541 20 30 DCEDRP C=C[C@](C)(O)C[NH+]1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001274614870 951739273 /nfs/dbraw/zinc/73/92/73/951739273.db2.gz NDPRHJBFUFNXGF-ZBFHGGJFSA-N 2 0 309.454 0.703 20 30 DCEDRP C#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001332665465 951754863 /nfs/dbraw/zinc/75/48/63/951754863.db2.gz SPSVTHSDDOLMOV-CVEARBPZSA-N 2 0 309.454 0.634 20 30 DCEDRP C#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001332665466 951754960 /nfs/dbraw/zinc/75/49/60/951754960.db2.gz SPSVTHSDDOLMOV-HOTGVXAUSA-N 2 0 309.454 0.634 20 30 DCEDRP CC#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001333222075 951963031 /nfs/dbraw/zinc/96/30/31/951963031.db2.gz DKJURTSZNZLURC-INIZCTEOSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001333222076 951963190 /nfs/dbraw/zinc/96/31/90/951963190.db2.gz DKJURTSZNZLURC-MRXNPFEDSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C[C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001275180664 951989657 /nfs/dbraw/zinc/98/96/57/951989657.db2.gz YXPPHGKCNOKGDC-KBPBESRZSA-N 2 0 322.453 0.352 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001280793459 953040207 /nfs/dbraw/zinc/04/02/07/953040207.db2.gz KUZRCPRFIVLJIH-CABCVRRESA-N 2 0 324.469 0.552 20 30 DCEDRP C#CC[NH2+]CC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC001341889709 953256860 /nfs/dbraw/zinc/25/68/60/953256860.db2.gz TXCCIADBIAXEQA-AWEZNQCLSA-N 2 0 300.406 0.946 20 30 DCEDRP C=CC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001281816590 953376167 /nfs/dbraw/zinc/37/61/67/953376167.db2.gz IBECUOSDHFRYHQ-GJZGRUSLSA-N 2 0 309.454 0.846 20 30 DCEDRP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC#CCOC)[NH+](C)C ZINC001281965241 953434136 /nfs/dbraw/zinc/43/41/36/953434136.db2.gz PPXSDEXYDNJLRA-CVEARBPZSA-N 2 0 309.454 0.899 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001316622124 953684196 /nfs/dbraw/zinc/68/41/96/953684196.db2.gz LDSDEKDLYPNFAA-GASCZTMLSA-N 2 0 305.422 0.216 20 30 DCEDRP C[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C[NH+]1CCN(C)CC1 ZINC001346492061 953900555 /nfs/dbraw/zinc/90/05/55/953900555.db2.gz FPTZWQIOSQRFNK-LSDHHAIUSA-N 2 0 309.458 0.397 20 30 DCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001350405249 955086089 /nfs/dbraw/zinc/08/60/89/955086089.db2.gz MQKKTLBKWPRFHE-HUUCEWRRSA-N 2 0 308.426 0.767 20 30 DCEDRP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001284492769 955126795 /nfs/dbraw/zinc/12/67/95/955126795.db2.gz MJPMLVUTNMCCCA-JKSUJKDBSA-N 2 0 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1000495095 /nfs/dbraw/zinc/49/50/95/1000495095.db2.gz QOBSOAPPBPDFFT-AWEZNQCLSA-N 2 0 322.384 0.216 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001507528673 1016445142 /nfs/dbraw/zinc/44/51/42/1016445142.db2.gz JCPJFULVGAHRBM-SJORKVTESA-N 2 0 317.433 0.722 20 30 DCEDRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1ccccc1C#N ZINC001445267184 1011597566 /nfs/dbraw/zinc/59/75/66/1011597566.db2.gz LRYLPQWDQVADAA-MRXNPFEDSA-N 2 0 318.421 0.465 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001506882800 1017637935 /nfs/dbraw/zinc/63/79/35/1017637935.db2.gz GSKOAKMQCBBGCJ-DJIMGWMZSA-N 2 0 319.449 0.462 20 30 DCEDRP C=CCNC(=O)C[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001479770961 1017730790 /nfs/dbraw/zinc/73/07/90/1017730790.db2.gz KTVUNQMUORGZEQ-ZIAGYGMSSA-N 2 0 310.442 0.067 20 30 DCEDRP COCC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001479894840 1017940073 /nfs/dbraw/zinc/94/00/73/1017940073.db2.gz 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C=C(C)CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001501365208 1019098749 /nfs/dbraw/zinc/09/87/49/1019098749.db2.gz XIZOIGWCNGWXTH-RDJZCZTQSA-N 2 0 309.454 0.847 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001493253611 1019256519 /nfs/dbraw/zinc/25/65/19/1019256519.db2.gz CZEZNHUAABOAMB-UONOGXRCSA-N 2 0 310.442 0.067 20 30 DCEDRP COCC#CC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001493726194 1019663022 /nfs/dbraw/zinc/66/30/22/1019663022.db2.gz QZHPPXRREVOAEZ-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP CC#CC[N@H+](C)CCCN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001502246255 1019807228 /nfs/dbraw/zinc/80/72/28/1019807228.db2.gz QDGHZOBQIANMBX-UHFFFAOYSA-N 2 0 319.453 0.862 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001494172247 1020039382 /nfs/dbraw/zinc/03/93/82/1020039382.db2.gz NRVPJQHQOGXYIN-MRXNPFEDSA-N 2 0 319.449 0.512 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000417545642 397373608 /nfs/dbraw/zinc/37/36/08/397373608.db2.gz YGSAWQBBFSQVMW-UHFFFAOYSA-N 2 0 309.458 0.231 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C[NH3+])CCCC)CC1 ZINC000419731916 416407109 /nfs/dbraw/zinc/40/71/09/416407109.db2.gz RUJDXWGJDBRNJX-CQSZACIVSA-N 2 0 310.442 0.387 20 30 DCEDRP C[C@@H]1C[C@H](CO)C[NH+](CC#CC[N@@H+]2C[C@@H](C)C[C@H](CO)C2)C1 ZINC000420953875 416419734 /nfs/dbraw/zinc/41/97/34/416419734.db2.gz YYCXJPSAWJJUEV-MHORFTMASA-N 2 0 308.466 0.890 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000491709816 416618595 /nfs/dbraw/zinc/61/85/95/416618595.db2.gz XINAWWKCQVLFPM-CVEARBPZSA-N 2 0 306.454 0.973 20 30 DCEDRP C#CCNC(=O)CC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000491812420 416632425 /nfs/dbraw/zinc/63/24/25/416632425.db2.gz FGXVUNUBFHZOFL-INIZCTEOSA-N 2 0 306.454 0.228 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000562800412 416870289 /nfs/dbraw/zinc/87/02/89/416870289.db2.gz QEWWTMWHWXKGBU-HNNXBMFYSA-N 2 0 309.458 0.311 20 30 DCEDRP CC(C)[NH+]=C(NCC(=O)N(C)C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262291685 277320585 /nfs/dbraw/zinc/32/05/85/277320585.db2.gz LLJZFVSIYPRUGH-HNNXBMFYSA-N 2 0 323.485 0.989 20 30 DCEDRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC#Cc2cccc(F)c2)CC1 ZINC000564868304 331829045 /nfs/dbraw/zinc/82/90/45/331829045.db2.gz DSUGAQDGFFBWPG-QGZVFWFLSA-N 2 0 305.397 0.375 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000491475140 333104391 /nfs/dbraw/zinc/10/43/91/333104391.db2.gz UBGIKXLZBGTXOU-MRXNPFEDSA-N 2 0 307.438 0.295 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cn2c(n1)SCC2 ZINC000274346761 334060279 /nfs/dbraw/zinc/06/02/79/334060279.db2.gz QXWBWLJYAWDHJG-CYBMUJFWSA-N 2 0 322.482 0.920 20 30 DCEDRP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N(C)C[C@@H]1CCOC1 ZINC000261638685 337607054 /nfs/dbraw/zinc/60/70/54/337607054.db2.gz KNFDDONXPVMZGQ-AWEZNQCLSA-N 2 0 312.458 0.641 20 30 DCEDRP C#CCNC(=O)CC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000491154086 339851241 /nfs/dbraw/zinc/85/12/41/339851241.db2.gz GSWZJEQJLSWICN-IRXDYDNUSA-N 2 0 320.481 0.616 20 30 DCEDRP C#CCNC(=O)CC[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000491383004 339860087 /nfs/dbraw/zinc/86/00/87/339860087.db2.gz KHSVWWZGCFIRBX-UHFFFAOYSA-N 2 0 315.421 0.063 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173953715 340378551 /nfs/dbraw/zinc/37/85/51/340378551.db2.gz XKDRHYAILWIETD-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001567419959 1160358683 /nfs/dbraw/zinc/35/86/83/1160358683.db2.gz YNVIXPGHHQXONO-CQSZACIVSA-N 2 0 310.442 0.067 20 30 DCEDRP C[NH+]=C(NCCN1CCC[N@H+](C)CC1)N[C@H]1CCN(C2CC2)C1 ZINC000262736292 526356790 /nfs/dbraw/zinc/35/67/90/526356790.db2.gz CPIQUOXAFPPVRG-HNNXBMFYSA-N 2 0 322.501 0.026 20 30 DCEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000261730105 526371833 /nfs/dbraw/zinc/37/18/33/526371833.db2.gz LKNDXXFSROPRTQ-JKSUJKDBSA-N 2 0 323.485 0.168 20 30 DCEDRP CCC[N@H+](CC)CCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000266993644 527963837 /nfs/dbraw/zinc/96/38/37/527963837.db2.gz WGLHNLLPFJUVQU-UHFFFAOYSA-N 2 0 319.457 0.645 20 30 DCEDRP COCCC1(CNC(=[NH2+])NCCCN2CCOCC2)CCC1 ZINC000156944600 657583782 /nfs/dbraw/zinc/58/37/82/657583782.db2.gz NDMBRNIJGWUKLM-UHFFFAOYSA-N 2 0 312.458 0.820 20 30 DCEDRP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001023499751 657934841 /nfs/dbraw/zinc/93/48/41/657934841.db2.gz GIJKMXXEOWXXBG-CTMQZQKCSA-N 2 0 317.433 0.311 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](CCOC)C2)CC1 ZINC001023762540 658217721 /nfs/dbraw/zinc/21/77/21/658217721.db2.gz ZEQIXEXDICAQTF-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CCOC)C2)CC1 ZINC001023762539 658218126 /nfs/dbraw/zinc/21/81/26/658218126.db2.gz ZEQIXEXDICAQTF-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC001023762330 658218270 /nfs/dbraw/zinc/21/82/70/658218270.db2.gz WQTMMXHDCZMGHN-MRXNPFEDSA-N 2 0 321.465 0.542 20 30 DCEDRP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000972674773 658226500 /nfs/dbraw/zinc/22/65/00/658226500.db2.gz SLGBUYCHFGFZGX-KRWDZBQOSA-N 2 0 307.438 0.962 20 30 DCEDRP C#CCN1CCOC2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000949472447 658290842 /nfs/dbraw/zinc/29/08/42/658290842.db2.gz FYFJILFAHRSQES-INIZCTEOSA-N 2 0 319.449 0.655 20 30 DCEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCSC(C)(C)C1 ZINC000261744040 658301349 /nfs/dbraw/zinc/30/13/49/658301349.db2.gz BSAVNQSJRSEBMU-CYBMUJFWSA-N 2 0 311.499 0.389 20 30 DCEDRP C#CCCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC000972437415 658768156 /nfs/dbraw/zinc/76/81/56/658768156.db2.gz KBNBIPROOHMQJQ-WMZOPIPTSA-N 2 0 319.449 0.797 20 30 DCEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000999759100 665683698 /nfs/dbraw/zinc/68/36/98/665683698.db2.gz AFXWHUFGNZMQAX-KRIMKBQASA-N 2 0 305.422 0.616 20 30 DCEDRP C[NH+]=C(NCCN1CCC[N@H+](C)CC1)N1CC[C@]2(CCOC2)C1 ZINC000262023247 661965152 /nfs/dbraw/zinc/96/51/52/661965152.db2.gz ZGETVGHRBQTPQD-KRWDZBQOSA-N 2 0 323.485 0.312 20 30 DCEDRP C[NH+]=C(NCCNC(=O)C1CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262437996 662385231 /nfs/dbraw/zinc/38/52/31/662385231.db2.gz GXHIKAJLYUYQKD-HNNXBMFYSA-N 2 0 321.469 0.648 20 30 DCEDRP C#CCC[N@H+]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000989672839 662971136 /nfs/dbraw/zinc/97/11/36/662971136.db2.gz AQPLGSCXLPWRGP-INIZCTEOSA-N 2 0 307.438 0.512 20 30 DCEDRP C=CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001000712432 665920478 /nfs/dbraw/zinc/92/04/78/665920478.db2.gz BBBWUACCYUNPDM-HZPDHXFCSA-N 2 0 305.422 0.784 20 30 DCEDRP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001000714801 665920716 /nfs/dbraw/zinc/92/07/16/665920716.db2.gz NDNSZWCUEYSTSY-IRXDYDNUSA-N 2 0 317.433 0.621 20 30 DCEDRP CC#CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001000716696 665920739 /nfs/dbraw/zinc/92/07/39/665920739.db2.gz YQXKPYKWVOXUNJ-DLBZAZTESA-N 2 0 317.433 0.621 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000900674999 663270229 /nfs/dbraw/zinc/27/02/29/663270229.db2.gz NRRMMSMGQKQHLM-OAHLLOKOSA-N 2 0 308.470 0.779 20 30 DCEDRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C1 ZINC000902358504 663410667 /nfs/dbraw/zinc/41/06/67/663410667.db2.gz CSIOIGUDSQABJV-VCHHOEMESA-N 2 0 306.410 0.881 20 30 DCEDRP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991358279 664122115 /nfs/dbraw/zinc/12/21/15/664122115.db2.gz IODPUFQXLRFLQK-KCYZZUKISA-N 2 0 305.422 0.452 20 30 DCEDRP CC#CC[NH+]1CCC(NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001002843863 666232276 /nfs/dbraw/zinc/23/22/76/666232276.db2.gz APQCHQUWIIUCLE-UHFFFAOYSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]C[C@H](C)O)C(C)(C)C2)CC1 ZINC000996674826 666855301 /nfs/dbraw/zinc/85/53/01/666855301.db2.gz WZYGQUIKMUEYJD-HOCLYGCPSA-N 2 0 321.465 0.539 20 30 DCEDRP C[NH+](C)[C@@]1(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CCSC1 ZINC000884191740 667493988 /nfs/dbraw/zinc/49/39/88/667493988.db2.gz LTJDHGLKUTYYGH-UNRBTCAZSA-N 2 0 322.478 0.679 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1C[N@@H+]3CCC[C@H]3CO1)C2 ZINC000884208348 667499385 /nfs/dbraw/zinc/49/93/85/667499385.db2.gz XQENAHQXACRPJK-CLPSQLOGSA-N 2 0 318.421 0.105 20 30 DCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[NH+](C3CCC3)CC1)C2 ZINC000884221656 667502491 /nfs/dbraw/zinc/50/24/91/667502491.db2.gz XOZDPUBOXPXXMH-UUCFBXCCSA-N 2 0 302.422 0.822 20 30 DCEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000923329521 667505891 /nfs/dbraw/zinc/50/58/91/667505891.db2.gz VHUJODLMEIJSDX-PMPSAXMXSA-N 2 0 309.454 0.894 20 30 DCEDRP C[C@@H]1C[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[N@@H+]1C1CC1 ZINC000884233316 667506125 /nfs/dbraw/zinc/50/61/25/667506125.db2.gz NZCIRSYQRDXSAB-GQEYFMCXSA-N 2 0 302.422 0.867 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)C2 ZINC000884432822 667543866 /nfs/dbraw/zinc/54/38/66/667543866.db2.gz QOXSHAZPHVOZKZ-XFHVWQCUSA-N 2 0 324.428 0.998 20 30 DCEDRP C#CC[N@@H+]1CCC[C@H](Nc2cc(N3CCOCC3)ncn2)C1 ZINC000884612850 667575682 /nfs/dbraw/zinc/57/56/82/667575682.db2.gz VYHORQZZLQGWTC-AWEZNQCLSA-N 2 0 301.394 0.823 20 30 DCEDRP C[NH+](C)CCOCCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876889976 668529307 /nfs/dbraw/zinc/52/93/07/668529307.db2.gz SWAXQOBBXOWPCP-INIZCTEOSA-N 2 0 316.405 0.439 20 30 DCEDRP [NH3+]C[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[C@H]1C(F)(F)F ZINC000877019480 668552912 /nfs/dbraw/zinc/55/29/12/668552912.db2.gz YMVICVLRPLORDZ-CHWSQXEVSA-N 2 0 317.355 0.975 20 30 DCEDRP C=CC[C@]1(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCC[NH2+]1 ZINC000877329098 668603001 /nfs/dbraw/zinc/60/30/01/668603001.db2.gz QUPLEKNGSIWSCG-WMLDXEAASA-N 2 0 307.438 0.960 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000771655436 668747460 /nfs/dbraw/zinc/74/74/60/668747460.db2.gz YMACOQBUODIIPZ-MRXNPFEDSA-N 2 0 307.438 0.295 20 30 DCEDRP C#C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H]1CCCO1 ZINC000776226789 668873373 /nfs/dbraw/zinc/87/33/73/668873373.db2.gz USCCICBVWSQHHR-LSDHHAIUSA-N 2 0 310.442 0.302 20 30 DCEDRP C#CCN1CCC[C@H](NC(=O)Nc2ccnn2CC[NH+](C)C)C1 ZINC000931567242 669223165 /nfs/dbraw/zinc/22/31/65/669223165.db2.gz PNLOPOMHUGXOKE-AWEZNQCLSA-N 2 0 318.425 0.664 20 30 DCEDRP C[NH+](C)CCN(Cc1ccccn1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852885711 671185602 /nfs/dbraw/zinc/18/56/02/671185602.db2.gz SKIGSBHHZKSIAA-UHFFFAOYSA-N 2 0 314.433 0.975 20 30 DCEDRP CCOCCCNC(=[NH2+])NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000303788805 685207074 /nfs/dbraw/zinc/20/70/74/685207074.db2.gz USNITOIVAXKJTP-HNNXBMFYSA-N 2 0 313.490 0.589 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCO)[C@@H](CC)C2)CC1 ZINC001037986048 693978873 /nfs/dbraw/zinc/97/88/73/693978873.db2.gz ZBBQZBXYTLJQPI-DOTOQJQBSA-N 2 0 321.465 0.541 20 30 DCEDRP C=C(C)C[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC000958170939 687402966 /nfs/dbraw/zinc/40/29/66/687402966.db2.gz CLVSJNPGJBVYQL-HZPDHXFCSA-N 2 0 321.465 0.847 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958224181 687455880 /nfs/dbraw/zinc/45/58/80/687455880.db2.gz TXKKTMNSIHXAKJ-HOCLYGCPSA-N 2 0 314.389 0.933 20 30 DCEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)c2cccc3nccn32)[C@H](O)C1 ZINC000958257994 687486183 /nfs/dbraw/zinc/48/61/83/687486183.db2.gz MFNYJFWYMDFDCC-TZMCWYRMSA-N 2 0 300.362 0.543 20 30 DCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000960264715 688339043 /nfs/dbraw/zinc/33/90/43/688339043.db2.gz IGZRDOYXEOZJEX-TWMKSMIVSA-N 2 0 317.433 0.309 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](C[C@H](C)O)C2)CC1 ZINC001009624975 691076797 /nfs/dbraw/zinc/07/67/97/691076797.db2.gz CBBZCRMFLGBGBU-GOEBONIOSA-N 2 0 307.438 0.293 20 30 DCEDRP COCC#CC[NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001570664264 1162577884 /nfs/dbraw/zinc/57/78/84/1162577884.db2.gz FFLZEPUYCLIYFS-UHFFFAOYSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001571148467 1162676697 /nfs/dbraw/zinc/67/66/97/1162676697.db2.gz QLXDIYYHAYDYSG-QAETUUGQSA-N 2 0 321.465 0.851 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CCCO)C2)CC1 ZINC001571197446 1162679271 /nfs/dbraw/zinc/67/92/71/1162679271.db2.gz ACXCRUWYYCRHBF-KOMQPUFPSA-N 2 0 307.438 0.198 20 30 DCEDRP CC#CC[NH2+][C@H](CO)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001571436341 1162754299 /nfs/dbraw/zinc/75/42/99/1162754299.db2.gz YAWQVFZBWBOYSD-INIZCTEOSA-N 2 0 317.433 0.494 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC001571563405 1162813137 /nfs/dbraw/zinc/81/31/37/1162813137.db2.gz JITWNDQLGUWGSH-JKSUJKDBSA-N 2 0 321.465 0.805 20 30 DCEDRP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001571603194 1162852685 /nfs/dbraw/zinc/85/26/85/1162852685.db2.gz WCHHTWOEAQBIGQ-DLBZAZTESA-N 2 0 323.481 0.881 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001691145853 1157594239 /nfs/dbraw/zinc/59/42/39/1157594239.db2.gz IWXVCPCMJHNYCY-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001691386536 1157659178 /nfs/dbraw/zinc/65/91/78/1157659178.db2.gz XPYHTFKMWSHZNM-HZPDHXFCSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CCOCC[NH2+]C(C)C)CC1 ZINC001571679288 1162895322 /nfs/dbraw/zinc/89/53/22/1162895322.db2.gz UQALOSYLCXKLDJ-UHFFFAOYSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC[NH+](CCO)CC1 ZINC001754637167 1157813221 /nfs/dbraw/zinc/81/32/21/1157813221.db2.gz AJKHRSBZIUVTSX-KRWDZBQOSA-N 2 0 321.465 0.778 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001755008262 1157905190 /nfs/dbraw/zinc/90/51/90/1157905190.db2.gz MUHDLJDSJYELFA-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP CC#CC[NH2+][C@@H](CNC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001752492225 1158014178 /nfs/dbraw/zinc/01/41/78/1158014178.db2.gz YJKCJNANVSMZQW-INIZCTEOSA-N 2 0 307.438 0.605 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001755618382 1158206072 /nfs/dbraw/zinc/20/60/72/1158206072.db2.gz LBIIBXPKODFZQI-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001691527947 1158213404 /nfs/dbraw/zinc/21/34/04/1158213404.db2.gz JTQUTHSXYVIMPI-BRWVUGGUSA-N 2 0 321.465 0.635 20 30 DCEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001688553661 1158644108 /nfs/dbraw/zinc/64/41/08/1158644108.db2.gz ASQDMHBAIHGHIU-KBPBESRZSA-N 2 0 305.426 0.564 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001752891174 1158668778 /nfs/dbraw/zinc/66/87/78/1158668778.db2.gz FVVBSHPNOFVSMV-ZDUSSCGKSA-N 2 0 310.442 0.257 20 30 DCEDRP C[NH+](C)CCN1CCO[C@H]2CN(Cc3cc(C#N)ccn3)C[C@@H]21 ZINC001276687716 1159110889 /nfs/dbraw/zinc/11/08/89/1159110889.db2.gz GISYIWPEIYEXOM-IRXDYDNUSA-N 2 0 315.421 0.400 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001565878943 1159918567 /nfs/dbraw/zinc/91/85/67/1159918567.db2.gz UDICOHPEXKPLMB-RBSFLKMASA-N 2 0 322.453 0.257 20 30 DCEDRP CC[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CC[N@@H+]1CC#CCOC ZINC001566025219 1159945015 /nfs/dbraw/zinc/94/50/15/1159945015.db2.gz IIZDXYZYTKBTJK-JKSUJKDBSA-N 2 0 318.421 0.582 20 30 DCEDRP CC#CCN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001566640006 1160107136 /nfs/dbraw/zinc/10/71/36/1160107136.db2.gz ODYMNEUGZHMREL-IAGOWNOFSA-N 2 0 320.481 0.474 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001567494716 1160395157 /nfs/dbraw/zinc/39/51/57/1160395157.db2.gz MEGFQCNXUZZUFV-GJZGRUSLSA-N 2 0 322.453 0.045 20 30 DCEDRP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001567738612 1160469522 /nfs/dbraw/zinc/46/95/22/1160469522.db2.gz HBBRGWMHPXFBSP-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001568073502 1160573486 /nfs/dbraw/zinc/57/34/86/1160573486.db2.gz YNMLYNRJWSPUJY-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2ocnc2C)CC1 ZINC001569099213 1160941796 /nfs/dbraw/zinc/94/17/96/1160941796.db2.gz UXEPCWJZYARMQJ-ZDUSSCGKSA-N 2 0 318.421 0.923 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001569270576 1161000522 /nfs/dbraw/zinc/00/05/22/1161000522.db2.gz ZXUFXVBEGUXENH-OAHLLOKOSA-N 2 0 322.453 0.048 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001570290570 1161546624 /nfs/dbraw/zinc/54/66/24/1161546624.db2.gz AIEBKTRJSWLBFA-WBVHZDCISA-N 2 0 309.454 0.683 20 30 DCEDRP C#CC[C@]1(C(=O)NC2CC[NH+](C3CCOCC3)CC2)CCC[NH2+]1 ZINC001574517379 1163730609 /nfs/dbraw/zinc/73/06/09/1163730609.db2.gz NJIHSANTZNVVAB-GOSISDBHSA-N 2 0 319.449 0.892 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC001580043150 1165482878 /nfs/dbraw/zinc/48/28/78/1165482878.db2.gz JEPDXXWBAKTTSO-QJNCVLDKSA-N 2 0 302.422 0.869 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001580044005 1165484168 /nfs/dbraw/zinc/48/41/68/1165484168.db2.gz VEKFEZUBJVZVET-RBSFLKMASA-N 2 0 305.426 0.662 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001646794157 1172535937 /nfs/dbraw/zinc/53/59/37/1172535937.db2.gz BUBABZMXICYNQI-YGRLFVJLSA-N 2 0 309.801 0.453 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001671246722 1173262082 /nfs/dbraw/zinc/26/20/82/1173262082.db2.gz WRTCGDAETHZNPY-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1Cc3ccccc3C[NH2+]1)C2 ZINC001649976573 1173354042 /nfs/dbraw/zinc/35/40/42/1173354042.db2.gz IRHXDSRUVIXPJT-ISXWCOSWSA-N 2 0 324.428 0.956 20 30 DCEDRP C#CCNC(=O)CC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001660591548 1174018091 /nfs/dbraw/zinc/01/80/91/1174018091.db2.gz DFFFKTLKZISHHN-UHFFFAOYSA-N 2 0 307.438 0.439 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001661193254 1174105201 /nfs/dbraw/zinc/10/52/01/1174105201.db2.gz UNCJTXRUJKHQQP-KRWDZBQOSA-N 2 0 321.465 0.997 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001661318059 1174115860 /nfs/dbraw/zinc/11/58/60/1174115860.db2.gz VNWGJDXLUPDAAE-KGLIPLIRSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CCC[NH2+][C@H](C)CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001662935154 1174253264 /nfs/dbraw/zinc/25/32/64/1174253264.db2.gz PUEZTCSTUBXXIY-OAHLLOKOSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CCNC(=O)CN1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001665642300 1174544272 /nfs/dbraw/zinc/54/42/72/1174544272.db2.gz QOYUFEOQFJWDLS-HOCLYGCPSA-N 2 0 324.469 0.408 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001667463355 1174684411 /nfs/dbraw/zinc/68/44/11/1174684411.db2.gz FXRGKHHKNJVCSJ-OAHLLOKOSA-N 2 0 309.454 0.851 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CC#CCOC)C1 ZINC001667695533 1174702366 /nfs/dbraw/zinc/70/23/66/1174702366.db2.gz XXXRZUCSBJJEPF-IAGOWNOFSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCOC)CC1 ZINC001667769732 1174709530 /nfs/dbraw/zinc/70/95/30/1174709530.db2.gz IJRKLQZFQBNEKB-DLBZAZTESA-N 2 0 321.465 0.853 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cn(C)nc1C ZINC001669317216 1174918979 /nfs/dbraw/zinc/91/89/79/1174918979.db2.gz PQZKFUNUQJBQJO-CJNGLKHVSA-N 2 0 317.437 0.420 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001669681798 1174943640 /nfs/dbraw/zinc/94/36/40/1174943640.db2.gz NWEHYJWVXKYXII-LSDHHAIUSA-N 2 0 324.469 0.646 20 30 DCEDRP C=CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001672018520 1175062579 /nfs/dbraw/zinc/06/25/79/1175062579.db2.gz GVEVVJGIGCXMHE-WBVHZDCISA-N 2 0 309.454 0.847 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001676680535 1175475698 /nfs/dbraw/zinc/47/56/98/1175475698.db2.gz NBOOROLEFCDTHS-GDBMZVCRSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001677100226 1175527265 /nfs/dbraw/zinc/52/72/65/1175527265.db2.gz XDPGWLPFRYVERB-OAHLLOKOSA-N 2 0 309.454 0.541 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001685771944 1176041021 /nfs/dbraw/zinc/04/10/21/1176041021.db2.gz AIUKAEGYVHSEIB-MRXNPFEDSA-N 2 0 306.454 0.925 20 30 DCEDRP CC#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[N@@H+](C)CCC)n1 ZINC001691914181 1177382603 /nfs/dbraw/zinc/38/26/03/1177382603.db2.gz JGBYRTFRZJMRKQ-UHFFFAOYSA-N 2 0 319.409 0.253 20 30 DCEDRP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001691989803 1177400087 /nfs/dbraw/zinc/40/00/87/1177400087.db2.gz OBAJAYFVHQQWKL-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001699047782 1177797019 /nfs/dbraw/zinc/79/70/19/1177797019.db2.gz ONRNJWRGOBHUNO-GOEBONIOSA-N 2 0 309.454 0.894 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001699131741 1177881792 /nfs/dbraw/zinc/88/17/92/1177881792.db2.gz QSGMNKYJJLWGFJ-KGLIPLIRSA-N 2 0 324.469 0.503 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001699943757 1178391685 /nfs/dbraw/zinc/39/16/85/1178391685.db2.gz IMWHXLHGSUAVLB-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001700132883 1178490769 /nfs/dbraw/zinc/49/07/69/1178490769.db2.gz JSWIHAKDFYGUJZ-HUUCEWRRSA-N 2 0 307.438 0.605 20 30 DCEDRP COCC#CC[N@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001700695558 1178708565 /nfs/dbraw/zinc/70/85/65/1178708565.db2.gz LHNOOCHJEZQMGA-UHFFFAOYSA-N 2 0 309.454 0.901 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001707075624 1180411104 /nfs/dbraw/zinc/41/11/04/1180411104.db2.gz ICGVVKLGLABSKL-TUVASFSCSA-N 2 0 322.453 0.113 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713219383 1180726777 /nfs/dbraw/zinc/72/67/77/1180726777.db2.gz PCWSRUYATREPIM-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001713245716 1180734419 /nfs/dbraw/zinc/73/44/19/1180734419.db2.gz GSBGQHUPMAXNIF-MRXNPFEDSA-N 2 0 301.434 0.793 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001713379262 1180790843 /nfs/dbraw/zinc/79/08/43/1180790843.db2.gz PNMPYXUCLGCUGA-JKSUJKDBSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCOCC)CC1 ZINC001713520330 1180891280 /nfs/dbraw/zinc/89/12/80/1180891280.db2.gz SGMZQEYQXDPZIQ-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)C2([NH+](C)C)CCC2)C1=O ZINC001713600789 1180956408 /nfs/dbraw/zinc/95/64/08/1180956408.db2.gz ZEQCEGQPQMCGLG-CQSZACIVSA-N 2 0 322.453 0.306 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]C[C@@H]2CCCOC2)CC1 ZINC001713666978 1181009166 /nfs/dbraw/zinc/00/91/66/1181009166.db2.gz KYUVVGRZWQYAJL-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCC[NH+]1CCN(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001713810696 1181085540 /nfs/dbraw/zinc/08/55/40/1181085540.db2.gz ILLOJAPIDMVECW-UHFFFAOYSA-N 2 0 322.497 0.721 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001714094670 1181240111 /nfs/dbraw/zinc/24/01/11/1181240111.db2.gz QEZQFIFIQKQLJN-HOTGVXAUSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001714279651 1181304279 /nfs/dbraw/zinc/30/42/79/1181304279.db2.gz XSGFGLFBPRGUNL-CABCVRRESA-N 2 0 322.453 0.095 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001714604685 1181434917 /nfs/dbraw/zinc/43/49/17/1181434917.db2.gz CZPBYQXWRMZPHZ-GOEBONIOSA-N 2 0 307.438 0.415 20 30 DCEDRP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001714908262 1181596941 /nfs/dbraw/zinc/59/69/41/1181596941.db2.gz MCQBGHBXRQPIDE-HNNXBMFYSA-N 2 0 322.453 0.165 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001715597565 1181885347 /nfs/dbraw/zinc/88/53/47/1181885347.db2.gz JAPNHEUWQDPVEO-DLBZAZTESA-N 2 0 321.465 0.874 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001716465996 1182401051 /nfs/dbraw/zinc/40/10/51/1182401051.db2.gz RMLOIELMQBARNW-JKSUJKDBSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCOCC1 ZINC001716905685 1182563537 /nfs/dbraw/zinc/56/35/37/1182563537.db2.gz QDZAQYGUDSXUPE-ZIAGYGMSSA-N 2 0 316.405 0.792 20 30 DCEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001717124293 1182684382 /nfs/dbraw/zinc/68/43/82/1182684382.db2.gz BYRCSFYDDBUFEF-WKILWMFISA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001717750989 1182978265 /nfs/dbraw/zinc/97/82/65/1182978265.db2.gz UDEYRUPSKARYTA-UONOGXRCSA-N 2 0 322.453 0.209 20 30 DCEDRP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001724423175 1184440021 /nfs/dbraw/zinc/44/00/21/1184440021.db2.gz WZVZUMSTERFWMM-MRXNPFEDSA-N 2 0 306.410 0.482 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001724925032 1184622979 /nfs/dbraw/zinc/62/29/79/1184622979.db2.gz DKYZNUKUKSHKFJ-RBSFLKMASA-N 2 0 322.453 0.352 20 30 DCEDRP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001725102366 1184684404 /nfs/dbraw/zinc/68/44/04/1184684404.db2.gz XJXWLGHJGHCABO-LSDHHAIUSA-N 2 0 309.454 0.851 20 30 DCEDRP CCCC[C@H](C[NH2+]CC#CCOC)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001725233953 1184731013 /nfs/dbraw/zinc/73/10/13/1184731013.db2.gz QTNVRGSUTVUVEM-HZPDHXFCSA-N 2 0 309.454 0.995 20 30 DCEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001725271019 1184746072 /nfs/dbraw/zinc/74/60/72/1184746072.db2.gz XWVZZPDFCKRNAR-GJZGRUSLSA-N 2 0 309.454 0.967 20 30 DCEDRP C=CCNC(=O)C[N@@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001725427318 1184818445 /nfs/dbraw/zinc/81/84/45/1184818445.db2.gz NDJOSHXDXMHESC-UHFFFAOYSA-N 2 0 322.453 0.307 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001725498874 1184847941 /nfs/dbraw/zinc/84/79/41/1184847941.db2.gz VSNAEMASDWYMDR-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001725498872 1184848591 /nfs/dbraw/zinc/84/85/91/1184848591.db2.gz VSNAEMASDWYMDR-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001731601835 1185407177 /nfs/dbraw/zinc/40/71/77/1185407177.db2.gz QJSWPKKGNONDIX-AWEZNQCLSA-N 2 0 322.453 0.259 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001732419351 1185809252 /nfs/dbraw/zinc/80/92/52/1185809252.db2.gz LRJLSOVWFUUKSI-CABCVRRESA-N 2 0 324.469 0.598 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CC[C@@H](C)NC(=O)C[NH+]2CCCC2)C1=O ZINC001732755340 1185950443 /nfs/dbraw/zinc/95/04/43/1185950443.db2.gz XSRQXFQUEFALKN-HUUCEWRRSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CC[C@H](C)NC(=O)C[NH+]2CCCC2)C1=O ZINC001732755339 1185950681 /nfs/dbraw/zinc/95/06/81/1185950681.db2.gz XSRQXFQUEFALKN-GJZGRUSLSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001733352649 1186238077 /nfs/dbraw/zinc/23/80/77/1186238077.db2.gz ZISDKRYSTNPLMP-GJZGRUSLSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+]([C@@H](C)COC)CC1 ZINC001733372723 1186244509 /nfs/dbraw/zinc/24/45/09/1186244509.db2.gz UDYNUTSORZMCJR-HNNXBMFYSA-N 2 0 309.454 0.899 20 30 DCEDRP N#CCNC1CC[NH+](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001733578528 1186340590 /nfs/dbraw/zinc/34/05/90/1186340590.db2.gz GJDVPAQETVRUAX-INIZCTEOSA-N 2 0 319.453 0.022 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001734172546 1186568104 /nfs/dbraw/zinc/56/81/04/1186568104.db2.gz CZCJQWBJJGKWEX-LUKYLMHMSA-N 2 0 319.449 0.272 20 30 DCEDRP C#CC[N@H+](C)CCOCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001734276503 1186600847 /nfs/dbraw/zinc/60/08/47/1186600847.db2.gz DAGSYHNNTIXMIJ-UHFFFAOYSA-N 2 0 307.438 0.560 20 30 DCEDRP C#CC[NH2+][C@H](CCNC(=O)COC1CC[NH+](C)CC1)C(C)C ZINC001734290090 1186606848 /nfs/dbraw/zinc/60/68/48/1186606848.db2.gz ZCTIIRMXHBTTLB-MRXNPFEDSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001734414699 1186646481 /nfs/dbraw/zinc/64/64/81/1186646481.db2.gz FTXZXDSVLJCRIM-HUUCEWRRSA-N 2 0 307.438 0.700 20 30 DCEDRP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001734541426 1186684847 /nfs/dbraw/zinc/68/48/47/1186684847.db2.gz NKOHGYQQPBMHGI-HNNXBMFYSA-N 2 0 309.454 0.635 20 30 DCEDRP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001734547447 1186687975 /nfs/dbraw/zinc/68/79/75/1186687975.db2.gz UASWPZSFCKVMTO-HZPDHXFCSA-N 2 0 309.454 0.635 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001753828899 1188660123 /nfs/dbraw/zinc/66/01/23/1188660123.db2.gz GZSZFNZOPSSXLB-DLBZAZTESA-N 2 0 321.465 0.708 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CCOCC)CC1 ZINC001754622386 1188892668 /nfs/dbraw/zinc/89/26/68/1188892668.db2.gz PCSJQDIRKUKAET-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)CC[N@@H+](C)CCC)CC2)C1 ZINC001754664872 1188899443 /nfs/dbraw/zinc/89/94/43/1188899443.db2.gz JGPJTZMCLIHRGE-QGZVFWFLSA-N 2 0 320.481 0.570 20 30 DCEDRP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001754942119 1188977522 /nfs/dbraw/zinc/97/75/22/1188977522.db2.gz GSHFOZCFNZTGRT-IAGOWNOFSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001755086597 1189017804 /nfs/dbraw/zinc/01/78/04/1189017804.db2.gz LKKDZIQNONAXCW-KRWDZBQOSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001755088317 1189018970 /nfs/dbraw/zinc/01/89/70/1189018970.db2.gz RNWLGNQRMUROKH-AEFFLSMTSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCCOC)[C@@H](C)C2)CC1 ZINC001755121192 1189029850 /nfs/dbraw/zinc/02/98/50/1189029850.db2.gz FRYMNOFTCQBROD-RDJZCZTQSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[N@H+](C)CCOCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001755544049 1189143253 /nfs/dbraw/zinc/14/32/53/1189143253.db2.gz IEMXEAIIZIVCNN-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC([C@@H]3CC[NH2+]C3)CC1)C2 ZINC001771873727 1190538180 /nfs/dbraw/zinc/53/81/80/1190538180.db2.gz UCAIGKBNSVEZFK-JBCIKUTRSA-N 2 0 316.449 0.974 20 30 DCEDRP CC1(C)CC[N@H+](CCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC001772298786 1190657175 /nfs/dbraw/zinc/65/71/75/1190657175.db2.gz VJGXDVLSSSBJEG-UUCFBXCCSA-N 2 0 304.438 0.974 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](CCO)[C@@H]3C2)CC1 ZINC001042367455 751603395 /nfs/dbraw/zinc/60/33/95/751603395.db2.gz HSFFPDTWCJJJLX-DOTOQJQBSA-N 2 0 319.449 0.247 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CCOC)[C@H](C)C2)CC1 ZINC001107033813 751777591 /nfs/dbraw/zinc/77/75/91/751777591.db2.gz BMMVKTSKNAYESX-NVXWUHKLSA-N 2 0 321.465 0.662 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001209453546 746999428 /nfs/dbraw/zinc/99/94/28/746999428.db2.gz AHIXUFYRXYXBQJ-CABCVRRESA-N 2 0 322.453 0.306 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001167608246 747426137 /nfs/dbraw/zinc/42/61/37/747426137.db2.gz CKKCBHGTAKPMDF-INIZCTEOSA-N 2 0 309.454 0.997 20 30 DCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001083463151 749841744 /nfs/dbraw/zinc/84/17/44/749841744.db2.gz SUIIYSVNQTUYOK-CABCVRRESA-N 2 0 309.454 0.988 20 30 DCEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757122 749978132 /nfs/dbraw/zinc/97/81/32/749978132.db2.gz JUVWEDRODHILCH-LQCZDEPNSA-N 2 0 305.422 0.615 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H](C)O)[C@@H]2C)CC1 ZINC001089059141 750782196 /nfs/dbraw/zinc/78/21/96/750782196.db2.gz ATEAYHUMPCMTTM-LZWOXQAQSA-N 2 0 307.438 0.291 20 30 DCEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC2(CCOCC2)C1 ZINC001099590741 752540917 /nfs/dbraw/zinc/54/09/17/752540917.db2.gz IKTIUDPTHPZPTP-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC2(CCOCC2)C1 ZINC001089967458 753155442 /nfs/dbraw/zinc/15/54/42/753155442.db2.gz DOEMJVVACBTVLQ-CVEARBPZSA-N 2 0 319.449 0.559 20 30 DCEDRP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001045444254 753196423 /nfs/dbraw/zinc/19/64/23/753196423.db2.gz FVPOGSGAIWDWQT-CVEARBPZSA-N 2 0 319.449 0.844 20 30 DCEDRP C=CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001046011014 753413556 /nfs/dbraw/zinc/41/35/56/753413556.db2.gz YPIOUWUXXPKUGO-HOTGVXAUSA-N 2 0 306.454 0.485 20 30 DCEDRP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC001046064021 753457732 /nfs/dbraw/zinc/45/77/32/753457732.db2.gz CLHRKETVKXWEEO-IAGOWNOFSA-N 2 0 318.465 0.322 20 30 DCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001083831539 753956519 /nfs/dbraw/zinc/95/65/19/753956519.db2.gz QDXRNGKPJFTPQU-XHSDSOJGSA-N 2 0 309.454 0.988 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001098466460 762273068 /nfs/dbraw/zinc/27/30/68/762273068.db2.gz GCLNMVGGTIJMLQ-UHFFFAOYSA-N 2 0 321.465 0.637 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001047596710 754422340 /nfs/dbraw/zinc/42/23/40/754422340.db2.gz YAWJJEIGLYVOHL-JYJNAYRXSA-N 2 0 309.454 0.798 20 30 DCEDRP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049216301 755187213 /nfs/dbraw/zinc/18/72/13/755187213.db2.gz YFDQKEWSWHZFPK-YESZJQIVSA-N 2 0 319.449 0.368 20 30 DCEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001097564036 755680386 /nfs/dbraw/zinc/68/03/86/755680386.db2.gz XMCDKDUBMDDJDJ-UAEIHBMGSA-N 2 0 317.433 0.757 20 30 DCEDRP C#CC[N@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001052783904 755806552 /nfs/dbraw/zinc/80/65/52/755806552.db2.gz LGKKVRFWEDDZTB-INIZCTEOSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2C)CC1 ZINC001080992260 756416006 /nfs/dbraw/zinc/41/60/06/756416006.db2.gz AZSBFSVTVLUJMU-GDBMZVCRSA-N 2 0 307.438 0.151 20 30 DCEDRP C#CC[NH2+][C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC001054654015 756600408 /nfs/dbraw/zinc/60/04/08/756600408.db2.gz GBUPNJLSRWMDNO-ZFWWWQNUSA-N 2 0 303.410 0.128 20 30 DCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081672972 756751747 /nfs/dbraw/zinc/75/17/47/756751747.db2.gz QYRCEPHCJYPQJY-BZUAXINKSA-N 2 0 307.438 0.720 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090392448 757355714 /nfs/dbraw/zinc/35/57/14/757355714.db2.gz SORKAECRWLZTBF-CABCVRRESA-N 2 0 307.438 0.742 20 30 DCEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC001050525242 757795165 /nfs/dbraw/zinc/79/51/65/757795165.db2.gz DDRDDCPUPKUXHR-HZPDHXFCSA-N 2 0 319.449 0.960 20 30 DCEDRP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001052042803 759137253 /nfs/dbraw/zinc/13/72/53/759137253.db2.gz GTOXMWKPXKSFGE-IAGOWNOFSA-N 2 0 320.481 0.568 20 30 DCEDRP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001052042802 759137814 /nfs/dbraw/zinc/13/78/14/759137814.db2.gz GTOXMWKPXKSFGE-DLBZAZTESA-N 2 0 320.481 0.568 20 30 DCEDRP C#CCC[N@@H+](CCO)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001098391585 759213266 /nfs/dbraw/zinc/21/32/66/759213266.db2.gz GAAAILHIDULWJT-UHFFFAOYSA-N 2 0 321.465 0.779 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001098392671 759244363 /nfs/dbraw/zinc/24/43/63/759244363.db2.gz WEWYXOXTDDJEEQ-UHFFFAOYSA-N 2 0 321.465 0.779 20 30 DCEDRP C=CC[N@@H+](CCO)C1CCN(C(=O)CCn2ccnc2)CC1 ZINC001098445126 760269736 /nfs/dbraw/zinc/26/97/36/760269736.db2.gz KZIDSAJIMWDINK-UHFFFAOYSA-N 2 0 306.410 0.745 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](C)C)C2 ZINC001108749858 761032611 /nfs/dbraw/zinc/03/26/11/761032611.db2.gz MYVXOWQIKFREDH-ULQDDVLXSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001070268491 761158695 /nfs/dbraw/zinc/15/86/95/761158695.db2.gz ILTBBOANVUXFGY-QLFBSQMISA-N 2 0 320.441 0.392 20 30 DCEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC001090435819 761671406 /nfs/dbraw/zinc/67/14/06/761671406.db2.gz KQEPIEASQULOHT-HUUCEWRRSA-N 2 0 300.362 0.685 20 30 DCEDRP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@H](C)O2 ZINC001071241429 761733081 /nfs/dbraw/zinc/73/30/81/761733081.db2.gz UYWZRAXDPRITNK-DOTOQJQBSA-N 2 0 307.438 0.960 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001099268691 762849984 /nfs/dbraw/zinc/84/99/84/762849984.db2.gz KJHYJEUYFBQXSP-IJLUTSLNSA-N 2 0 305.344 0.939 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1=O ZINC001129891420 763034673 /nfs/dbraw/zinc/03/46/73/763034673.db2.gz LKZDHVOUSBBHBW-UPJWGTAASA-N 2 0 317.393 0.006 20 30 DCEDRP C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001098471424 763040247 /nfs/dbraw/zinc/04/02/47/763040247.db2.gz DOAYRKBWMIXLAB-QGZVFWFLSA-N 2 0 323.481 0.881 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100115990 763326926 /nfs/dbraw/zinc/32/69/26/763326926.db2.gz JFSNDSDFXKZLRC-SJORKVTESA-N 2 0 321.465 0.827 20 30 DCEDRP COCC#CC[NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001130622770 763404946 /nfs/dbraw/zinc/40/49/46/763404946.db2.gz ZWVVPCUGTKRJMP-UHFFFAOYSA-N 2 0 309.454 0.995 20 30 DCEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131061644 763622977 /nfs/dbraw/zinc/62/29/77/763622977.db2.gz ILIPRCWNYVROHS-HUUCEWRRSA-N 2 0 319.453 0.832 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001101037163 763930726 /nfs/dbraw/zinc/93/07/26/763930726.db2.gz BLXXLYPHPFZMNR-UHFFFAOYSA-N 2 0 310.442 0.113 20 30 DCEDRP C=CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351054 764065626 /nfs/dbraw/zinc/06/56/26/764065626.db2.gz RCXLCVRTECOWEG-PBHICJAKSA-N 2 0 322.453 0.021 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101477541 764108373 /nfs/dbraw/zinc/10/83/73/764108373.db2.gz ZHIFRWBUPAXGCQ-AEFFLSMTSA-N 2 0 321.465 0.757 20 30 DCEDRP C=C(Br)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132992839 764780951 /nfs/dbraw/zinc/78/09/51/764780951.db2.gz GQYJLTHYEGKFEW-UHFFFAOYSA-N 2 0 304.232 0.943 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[C@H]1C ZINC001133199325 764866234 /nfs/dbraw/zinc/86/62/34/764866234.db2.gz DJENSFVILFMYCX-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103719243 765111459 /nfs/dbraw/zinc/11/14/59/765111459.db2.gz WIWOEIPWGTUBKP-BRWVUGGUSA-N 2 0 321.465 0.662 20 30 DCEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001134392136 765511367 /nfs/dbraw/zinc/51/13/67/765511367.db2.gz NJHZDFZMBUOUIB-CABCVRRESA-N 2 0 319.453 0.955 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001115119171 765596154 /nfs/dbraw/zinc/59/61/54/765596154.db2.gz SHHRETKRPHRNFF-LJIGWXMPSA-N 2 0 305.422 0.024 20 30 DCEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001115245184 765660419 /nfs/dbraw/zinc/66/04/19/765660419.db2.gz MVEBDANSBDJWLV-NCOADZHNSA-N 2 0 321.465 0.967 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773648 765666639 /nfs/dbraw/zinc/66/66/39/765666639.db2.gz PVLWOINRIGVCTG-UONOGXRCSA-N 2 0 324.469 0.339 20 30 DCEDRP C#CCNC(=O)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCCC1 ZINC001115708262 765801454 /nfs/dbraw/zinc/80/14/54/765801454.db2.gz XDQJTJNDNFIZRV-UHFFFAOYSA-N 2 0 322.453 0.096 20 30 DCEDRP COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135923272 766173377 /nfs/dbraw/zinc/17/33/77/766173377.db2.gz JKMPHPUZUSHPCX-HUUCEWRRSA-N 2 0 313.442 0.087 20 30 DCEDRP C=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC001090691728 766480258 /nfs/dbraw/zinc/48/02/58/766480258.db2.gz ICKVVIQPDMAZQR-JKSUJKDBSA-N 2 0 309.454 0.844 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC=C)C[C@@H]2O)CC1 ZINC001090829684 766647396 /nfs/dbraw/zinc/64/73/96/766647396.db2.gz DOEOTSOFKYRYMP-IRXDYDNUSA-N 2 0 319.449 0.459 20 30 DCEDRP C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H]2CC[N@H+](C)C2)c1C#N ZINC001119515292 766707878 /nfs/dbraw/zinc/70/78/78/766707878.db2.gz BPKIKQDXEYFJTA-LLVKDONJSA-N 2 0 304.398 0.714 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171225955 767049946 /nfs/dbraw/zinc/04/99/46/767049946.db2.gz BWHMDRLQBOAGRB-UONOGXRCSA-N 2 0 310.442 0.115 20 30 DCEDRP C[N@H+]1CC=C(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC001120583117 767085955 /nfs/dbraw/zinc/08/59/55/767085955.db2.gz NVNJUFALDZFFSQ-UHFFFAOYSA-N 2 0 320.418 0.578 20 30 DCEDRP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CC#CC[NH+](C)C)cc1 ZINC001120584171 767086234 /nfs/dbraw/zinc/08/62/34/767086234.db2.gz YVOZSVCWSRMJKU-INIZCTEOSA-N 2 0 319.405 0.539 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146711371 767509573 /nfs/dbraw/zinc/50/95/73/767509573.db2.gz RBWRBZMEQBDRFH-UHFFFAOYSA-N 2 0 310.442 0.235 20 30 DCEDRP CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CC#CCOC)C2)[NH+](C)C ZINC001147773753 767837206 /nfs/dbraw/zinc/83/72/06/767837206.db2.gz MKGRHQRHEGNCLO-OAHLLOKOSA-N 2 0 307.438 0.511 20 30 DCEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001092911617 768415630 /nfs/dbraw/zinc/41/56/30/768415630.db2.gz VOUQVOJENQOOIX-ZACQAIPSSA-N 2 0 321.465 0.803 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)C[N@@H+](C)CCC ZINC001171770011 769371716 /nfs/dbraw/zinc/37/17/16/769371716.db2.gz JOYJOZDASVAAQB-UHFFFAOYSA-N 2 0 324.469 0.625 20 30 DCEDRP C=CC[N@H+]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001099938552 769426495 /nfs/dbraw/zinc/42/64/95/769426495.db2.gz XNROIFHQONNZDD-GJZGRUSLSA-N 2 0 309.454 0.988 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2CC)C1=O ZINC001152457405 769563530 /nfs/dbraw/zinc/56/35/30/769563530.db2.gz DEYGLUAZOXOZSA-CABCVRRESA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001152457944 769565632 /nfs/dbraw/zinc/56/56/32/769565632.db2.gz JFDHQQFNQXWYGM-KGLIPLIRSA-N 2 0 310.442 0.257 20 30 DCEDRP C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@H+](CCCC[NH3+])C2 ZINC001235453823 769847630 /nfs/dbraw/zinc/84/76/30/769847630.db2.gz MAGLFDLPBXKRRK-QGZVFWFLSA-N 2 0 308.470 0.908 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001175048947 769855884 /nfs/dbraw/zinc/85/58/84/769855884.db2.gz MQAUJBDJKZLHBG-GJZGRUSLSA-N 2 0 324.469 0.341 20 30 DCEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001175664431 769940180 /nfs/dbraw/zinc/94/01/80/769940180.db2.gz WHDCNGFLXHYQKK-OAHLLOKOSA-N 2 0 319.453 0.956 20 30 DCEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001175938926 769986497 /nfs/dbraw/zinc/98/64/97/769986497.db2.gz JEWFQCVFRVKMTH-HNNXBMFYSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176565493 770127129 /nfs/dbraw/zinc/12/71/29/770127129.db2.gz VYEXSOHNNBCDDW-CABCVRRESA-N 2 0 324.469 0.505 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2cnc(C)o2)CC1 ZINC001176925843 770225016 /nfs/dbraw/zinc/22/50/16/770225016.db2.gz CKHCCXJDUIHNLZ-UHFFFAOYSA-N 2 0 318.421 0.924 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001176926865 770227274 /nfs/dbraw/zinc/22/72/74/770227274.db2.gz YEDFZRJEVPSCQF-WBVHZDCISA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176992632 770282664 /nfs/dbraw/zinc/28/26/64/770282664.db2.gz WABXFFQGCXSPBU-HUUCEWRRSA-N 2 0 322.453 0.095 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001178716753 770849069 /nfs/dbraw/zinc/84/90/69/770849069.db2.gz WHJMEWMRPISZGH-XIRDDKMYSA-N 2 0 319.449 0.557 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]C[C@H](C)OC)[C@@H]2C)CC1 ZINC001180203938 771074210 /nfs/dbraw/zinc/07/42/10/771074210.db2.gz CTDPVXBWKRUEJV-ZOBUZTSGSA-N 2 0 321.465 0.946 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001183576435 771670078 /nfs/dbraw/zinc/67/00/78/771670078.db2.gz MQGJIYQCJZLUTD-MRXNPFEDSA-N 2 0 319.449 0.703 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001184800265 771828756 /nfs/dbraw/zinc/82/87/56/771828756.db2.gz SHAXBMXAVXLGJZ-CQSZACIVSA-N 2 0 322.453 0.354 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001185679260 771947524 /nfs/dbraw/zinc/94/75/24/771947524.db2.gz BCLDZPDEESKTHJ-SJORKVTESA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001159907559 771974884 /nfs/dbraw/zinc/97/48/84/771974884.db2.gz ADKZLARBVDQJIB-OAHLLOKOSA-N 2 0 322.453 0.095 20 30 DCEDRP C#CC[NH2+][C@H]1CCCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001186146529 772012784 /nfs/dbraw/zinc/01/27/84/772012784.db2.gz LGPJURHPIXUBHR-WMZOPIPTSA-N 2 0 321.465 0.947 20 30 DCEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)N2C[C@@H]([NH3+])CC(F)(F)C2)c1 ZINC001160967186 772144232 /nfs/dbraw/zinc/14/42/32/772144232.db2.gz KIBDJEIUUZFYFD-STQMWFEESA-N 2 0 308.332 0.623 20 30 DCEDRP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001160997938 772147007 /nfs/dbraw/zinc/14/70/07/772147007.db2.gz XIOVZJXEJDOAJC-KRWDZBQOSA-N 2 0 319.449 0.867 20 30 DCEDRP CC#CC[NH+]1CCC(CNC(=O)CC[NH+](C)C)(COC)CC1 ZINC001162457909 772376562 /nfs/dbraw/zinc/37/65/62/772376562.db2.gz BBNKAWBIHRRRTO-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189018793 772403619 /nfs/dbraw/zinc/40/36/19/772403619.db2.gz VKDWLSHXFVQDEW-DLBZAZTESA-N 2 0 319.449 0.511 20 30 DCEDRP COCC#CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203791724 772924648 /nfs/dbraw/zinc/92/46/48/772924648.db2.gz KIESFRJZRKPNIP-HZPDHXFCSA-N 2 0 321.465 0.993 20 30 DCEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001205719279 773013117 /nfs/dbraw/zinc/01/31/17/773013117.db2.gz HJPYUZWXNCIEKN-PQUAAJSLSA-N 2 0 319.449 0.864 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193469496 773067965 /nfs/dbraw/zinc/06/79/65/773067965.db2.gz RISBTDZUYGUSED-HNNXBMFYSA-N 2 0 305.422 0.265 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC#CCOC)C1 ZINC001193601169 773096554 /nfs/dbraw/zinc/09/65/54/773096554.db2.gz UWJLONMUOWNTHR-INIZCTEOSA-N 2 0 309.454 0.901 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208454324 773467282 /nfs/dbraw/zinc/46/72/82/773467282.db2.gz VAEOMCLKFBKRLS-CQSZACIVSA-N 2 0 324.469 0.600 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001209641303 773628132 /nfs/dbraw/zinc/62/81/32/773628132.db2.gz IJJSNXNYKGYSFR-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001209716020 773638867 /nfs/dbraw/zinc/63/88/67/773638867.db2.gz OOLYUFAXMMQYLR-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001152324299 773722437 /nfs/dbraw/zinc/72/24/37/773722437.db2.gz OVYBNBBARVZBBO-JKSUJKDBSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCC[C@H]2CCOC2)CC1 ZINC001152330272 773730279 /nfs/dbraw/zinc/73/02/79/773730279.db2.gz KTCMNUIAHBKSCZ-INIZCTEOSA-N 2 0 321.465 0.854 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@H]2C[C@]23CCOC3)CC1 ZINC001152330729 773730653 /nfs/dbraw/zinc/73/06/53/773730653.db2.gz UGXGJGOSTHTUQT-AEFFLSMTSA-N 2 0 319.449 0.464 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001210773450 773736561 /nfs/dbraw/zinc/73/65/61/773736561.db2.gz JOHSTFCICADMBI-OAHLLOKOSA-N 2 0 324.469 0.601 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847534 774018841 /nfs/dbraw/zinc/01/88/41/774018841.db2.gz INZVHCZDUUYXLK-ZIAGYGMSSA-N 2 0 322.453 0.209 20 30 DCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001215864886 774093402 /nfs/dbraw/zinc/09/34/02/774093402.db2.gz AVDGFNOPZPJQCA-GDBMZVCRSA-N 2 0 317.437 0.518 20 30 DCEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)Nc2cnn(C3C[NH2+]C3)c2)cc1 ZINC001218641978 774271427 /nfs/dbraw/zinc/27/14/27/774271427.db2.gz ZOQWJAFNXSWMAW-OAHLLOKOSA-N 2 0 310.361 0.928 20 30 DCEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218879442 774320393 /nfs/dbraw/zinc/32/03/93/774320393.db2.gz DKNOIQDFLSPROI-SJKOYZFVSA-N 2 0 314.389 0.574 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CCCO1 ZINC001200806428 774411503 /nfs/dbraw/zinc/41/15/03/774411503.db2.gz PVLZZWRUDYGEKX-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643578 774570155 /nfs/dbraw/zinc/57/01/55/774570155.db2.gz ZABIXKOARLXNTO-XHSDSOJGSA-N 2 0 307.438 0.456 20 30 DCEDRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)C1 ZINC001219645202 774571409 /nfs/dbraw/zinc/57/14/09/774571409.db2.gz JGIQWPWHGVCNOT-XEZPLFJOSA-N 2 0 300.406 0.790 20 30 DCEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)NC[C@@]2(F)CCC[NH2+]C2)c1 ZINC001219768902 774601995 /nfs/dbraw/zinc/60/19/95/774601995.db2.gz QLLLXZSNBPOONN-GOEBONIOSA-N 2 0 304.369 0.636 20 30 DCEDRP C=CCCC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219830459 774623062 /nfs/dbraw/zinc/62/30/62/774623062.db2.gz XGXJJBYKGVJLOW-XHSDSOJGSA-N 2 0 309.454 0.988 20 30 DCEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219830216 774623332 /nfs/dbraw/zinc/62/33/32/774623332.db2.gz RPKKJIIVYMUBGM-OAGGEKHMSA-N 2 0 309.454 0.988 20 30 DCEDRP CC(=O)/C=C(/C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219909989 774644690 /nfs/dbraw/zinc/64/46/90/774644690.db2.gz JWKFKTLRWNARKQ-VSERSJBDSA-N 2 0 324.425 0.043 20 30 DCEDRP C[NH2+]CCNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H](S)C[NH2+]2)c1 ZINC001220059119 774684014 /nfs/dbraw/zinc/68/40/14/774684014.db2.gz IINXTBNJZFIXLI-STQMWFEESA-N 2 0 322.434 0.235 20 30 DCEDRP N=C(NC(=O)[C@H]([NH3+])CCC[NH3+])c1ccc2cc(O)ccc2c1 ZINC001220634419 774872436 /nfs/dbraw/zinc/87/24/36/774872436.db2.gz NYQORGMCKZLMFP-CQSZACIVSA-N 2 0 300.362 0.844 20 30 DCEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)NCCO[C@H]2CC[NH2+]C2)cc1 ZINC001220937360 774957586 /nfs/dbraw/zinc/95/75/86/774957586.db2.gz PVGDLRUCWBDAKN-LSDHHAIUSA-N 2 0 302.378 0.443 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223430791 775491099 /nfs/dbraw/zinc/49/10/99/775491099.db2.gz QNWVYYVURUVUSL-CABCVRRESA-N 2 0 322.453 0.163 20 30 DCEDRP COCC#CC[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001225155307 775649978 /nfs/dbraw/zinc/64/99/78/775649978.db2.gz SPRYOYSCCWWWTP-UHFFFAOYSA-N 2 0 319.449 0.560 20 30 DCEDRP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@H]1C ZINC001114832888 776204559 /nfs/dbraw/zinc/20/45/59/776204559.db2.gz ZTSPZDVXSULAOD-AIANPOQGSA-N 2 0 307.438 0.720 20 30 DCEDRP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001278177250 945167779 /nfs/dbraw/zinc/16/77/79/945167779.db2.gz LJLUVCDAVKOURI-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001317854269 945209540 /nfs/dbraw/zinc/20/95/40/945209540.db2.gz OOKRXZFHNXCYKW-LSDHHAIUSA-N 2 0 324.469 0.409 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CC[N@@H+](C)CC)C2)C1=O ZINC001266630386 939184226 /nfs/dbraw/zinc/18/42/26/939184226.db2.gz NAHXTBIIVDMVHX-RBSFLKMASA-N 2 0 322.453 0.352 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001267148533 939359200 /nfs/dbraw/zinc/35/92/00/939359200.db2.gz LDNKHYHZSBZZCF-KBPBESRZSA-N 2 0 306.410 0.723 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC#CCOC ZINC001267154811 939361854 /nfs/dbraw/zinc/36/18/54/939361854.db2.gz LEIDXBYQMRMMRQ-CVEARBPZSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001267372322 939438686 /nfs/dbraw/zinc/43/86/86/939438686.db2.gz LSCYWAVAYKYUEK-LSDHHAIUSA-N 2 0 324.469 0.598 20 30 DCEDRP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001267657986 939615434 /nfs/dbraw/zinc/61/54/34/939615434.db2.gz JTNPYZJECCVWPE-INIZCTEOSA-N 2 0 321.465 0.758 20 30 DCEDRP C#CC[NH2+]CCN(CCO)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001279753414 939632114 /nfs/dbraw/zinc/63/21/14/939632114.db2.gz LOQDGIFMRYXLED-UHFFFAOYSA-N 2 0 309.454 0.683 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCOCC=C)C2)CC1 ZINC001267754510 939663978 /nfs/dbraw/zinc/66/39/78/939663978.db2.gz OAPKREKNDNYGJK-QGZVFWFLSA-N 2 0 319.449 0.725 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001481319777 939746212 /nfs/dbraw/zinc/74/62/12/939746212.db2.gz NKTRXCRUARSBBQ-GJZGRUSLSA-N 2 0 324.469 0.600 20 30 DCEDRP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001481781905 940134462 /nfs/dbraw/zinc/13/44/62/940134462.db2.gz JGKBQSJLGVKIPD-INIZCTEOSA-N 2 0 309.454 0.899 20 30 DCEDRP C#CCC[NH2+]C/C=C/CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001268554351 940231970 /nfs/dbraw/zinc/23/19/70/940231970.db2.gz DRKMBWQNBSJNNY-VOTSOKGWSA-N 2 0 307.438 0.630 20 30 DCEDRP COCC#CC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268583106 940266637 /nfs/dbraw/zinc/26/66/37/940266637.db2.gz STKYHOGMJXNGBI-SWJNODNISA-N 2 0 307.438 0.629 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1=O ZINC001268660997 940321598 /nfs/dbraw/zinc/32/15/98/940321598.db2.gz DTOATIIIOFPEDT-RBSFLKMASA-N 2 0 324.469 0.454 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001482339026 941005340 /nfs/dbraw/zinc/00/53/40/941005340.db2.gz MIFOKURLQWPVMZ-AWEZNQCLSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001271228308 941328492 /nfs/dbraw/zinc/32/84/92/941328492.db2.gz KVTQUZMTUHEZDK-GOSISDBHSA-N 2 0 321.465 0.829 20 30 DCEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001271954205 941490723 /nfs/dbraw/zinc/49/07/23/941490723.db2.gz RVXLWROFJKXTMK-IRXDYDNUSA-N 2 0 320.481 0.875 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)c1sccc1C[NH+](C)C ZINC001482736752 941649878 /nfs/dbraw/zinc/64/98/78/941649878.db2.gz ZVMAPGQZNOTYPY-CYBMUJFWSA-N 2 0 309.435 0.513 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001272413685 942740574 /nfs/dbraw/zinc/74/05/74/942740574.db2.gz HBXNIRDEBCGCHN-WBVHZDCISA-N 2 0 321.465 0.731 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC#CCOC)CC1 ZINC001483794175 942958614 /nfs/dbraw/zinc/95/86/14/942958614.db2.gz DTHOBVSYRSNFAR-OAHLLOKOSA-N 2 0 307.438 0.749 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)CCc2nccn2C)C1 ZINC001484439391 943394133 /nfs/dbraw/zinc/39/41/33/943394133.db2.gz BHIWPGGEMTUXKN-QGZVFWFLSA-N 2 0 318.421 0.319 20 30 DCEDRP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001484535799 943446860 /nfs/dbraw/zinc/44/68/60/943446860.db2.gz KNXBEYIXTVCNDQ-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001484564956 943454308 /nfs/dbraw/zinc/45/43/08/943454308.db2.gz GVAFWIKCFFPJSL-BZUAXINKSA-N 2 0 307.438 0.605 20 30 DCEDRP C=C(C)C[NH+]1CCN([C@H]2CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001484705160 943525162 /nfs/dbraw/zinc/52/51/62/943525162.db2.gz SRWITTXHWADPDW-INIZCTEOSA-N 2 0 308.470 0.733 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001484839512 943590087 /nfs/dbraw/zinc/59/00/87/943590087.db2.gz LCOVWWYUUMZOER-RDJZCZTQSA-N 2 0 307.438 0.436 20 30 DCEDRP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001484849857 943595606 /nfs/dbraw/zinc/59/56/06/943595606.db2.gz ZTGZTWSULDZAQR-WBVHZDCISA-N 2 0 309.454 0.847 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001491110120 943763319 /nfs/dbraw/zinc/76/33/19/943763319.db2.gz FEBVRZSFQVRVMN-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001485604314 944027610 /nfs/dbraw/zinc/02/76/10/944027610.db2.gz VESMAKAJKGWEJF-LVQVYYBASA-N 2 0 309.429 0.984 20 30 DCEDRP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001485715619 944094223 /nfs/dbraw/zinc/09/42/23/944094223.db2.gz CIRKBXOHKIKPMG-STQMWFEESA-N 2 0 303.834 0.944 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001276588591 944223606 /nfs/dbraw/zinc/22/36/06/944223606.db2.gz JYRDHGLDZOBNPP-DLBZAZTESA-N 2 0 319.449 0.462 20 30 DCEDRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC#Cc2ccccc2)C1 ZINC001486060873 944522475 /nfs/dbraw/zinc/52/24/75/944522475.db2.gz CLHPKRJOWIHVGT-DLBZAZTESA-N 2 0 315.417 0.057 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001316958041 944682602 /nfs/dbraw/zinc/68/26/02/944682602.db2.gz LJKZPPZLZPFAJN-KRWDZBQOSA-N 2 0 318.465 0.085 20 30 DCEDRP C=CCCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001486277922 944689783 /nfs/dbraw/zinc/68/97/83/944689783.db2.gz JVSXVHAAHNZCCR-CVEARBPZSA-N 2 0 309.454 0.703 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001277273033 944735071 /nfs/dbraw/zinc/73/50/71/944735071.db2.gz UNSZUKUTKGDYSH-GJZGRUSLSA-N 2 0 322.453 0.095 20 30 DCEDRP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001317039959 944754244 /nfs/dbraw/zinc/75/42/44/944754244.db2.gz NXNJNIGICXFQQF-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC#CCOC)C2)CC[N@@H+]1C ZINC001317321535 944923399 /nfs/dbraw/zinc/92/33/99/944923399.db2.gz IEPQAWVRLGGTHC-YESZJQIVSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CCC[C@@H](C)O)CC1 ZINC001319590343 945626794 /nfs/dbraw/zinc/62/67/94/945626794.db2.gz QZWYDPGPIUDBPW-HZPDHXFCSA-N 2 0 323.481 0.929 20 30 DCEDRP C#CCOC[C@@H](O)C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001251821066 945783959 /nfs/dbraw/zinc/78/39/59/945783959.db2.gz FVEMSAAPBALDLA-SFHVURJKSA-N 2 0 324.465 0.822 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001278774206 946346534 /nfs/dbraw/zinc/34/65/34/946346534.db2.gz SXILNSRZPOXFSX-CQSZACIVSA-N 2 0 300.362 0.298 20 30 DCEDRP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001278809829 946429853 /nfs/dbraw/zinc/42/98/53/946429853.db2.gz HOXJETIKHXSZKN-AEFFLSMTSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CCO1 ZINC001273323860 946631762 /nfs/dbraw/zinc/63/17/62/946631762.db2.gz RVFPBIMEYWIXPO-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001322831658 946825756 /nfs/dbraw/zinc/82/57/56/946825756.db2.gz MKJAPQHGCFVWAE-HUUCEWRRSA-N 2 0 322.453 0.163 20 30 DCEDRP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001324974544 947594965 /nfs/dbraw/zinc/59/49/65/947594965.db2.gz BCURXKWWMJEZDO-AEFFLSMTSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001325450512 947798186 /nfs/dbraw/zinc/79/81/86/947798186.db2.gz QICGVQRUMLERJU-HUUCEWRRSA-N 2 0 317.437 0.518 20 30 DCEDRP C=CCOCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001325450991 947798479 /nfs/dbraw/zinc/79/84/79/947798479.db2.gz TUBKQAFVRJQAAC-ZIAGYGMSSA-N 2 0 306.410 0.981 20 30 DCEDRP COCC#CC[NH2+]CCCCCCNC(=O)Cc1c[nH]cn1 ZINC001179690072 947888994 /nfs/dbraw/zinc/88/89/94/947888994.db2.gz ZBWUKBAQIWHGJW-UHFFFAOYSA-N 2 0 306.410 0.868 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001273465709 947905005 /nfs/dbraw/zinc/90/50/05/947905005.db2.gz LTVHZAWIEFBKJV-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH2+]C1(CC)CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001273801923 948103371 /nfs/dbraw/zinc/10/33/71/948103371.db2.gz LCZGAQHMIOBULA-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CCO1 ZINC001327077804 948388410 /nfs/dbraw/zinc/38/84/10/948388410.db2.gz BAZNQQSMCNZLCT-IRXDYDNUSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001273909821 948674403 /nfs/dbraw/zinc/67/44/03/948674403.db2.gz BIDLJWHDGSVUMG-WBVHZDCISA-N 2 0 309.454 0.847 20 30 DCEDRP COCC#CCN1CC[C@H]1CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001263814477 948756813 /nfs/dbraw/zinc/75/68/13/948756813.db2.gz FZOCQUXVQMMJNT-KRWDZBQOSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001264025517 948836880 /nfs/dbraw/zinc/83/68/80/948836880.db2.gz LZZQZLKLWNAGAP-DGCLKSJQSA-N 2 0 319.409 0.414 20 30 DCEDRP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001264439277 948977328 /nfs/dbraw/zinc/97/73/28/948977328.db2.gz ODIRJZRAZPUQIY-JYJNAYRXSA-N 2 0 307.438 0.462 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1OCC ZINC001264536497 948997627 /nfs/dbraw/zinc/99/76/27/948997627.db2.gz ZVZZCZPQZBUZBX-BZUAXINKSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2ccnc2C)C[C@H]1OCC ZINC001264538930 948998877 /nfs/dbraw/zinc/99/88/77/948998877.db2.gz PMGSHGLXWPKXIU-HUUCEWRRSA-N 2 0 304.394 0.278 20 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953479298 /nfs/dbraw/zinc/47/92/98/953479298.db2.gz ASNBUUOYYSAEMY-UHFFFAOYSA-N 2 0 321.465 0.853 20 30 DCEDRP COCC#CC[N@H+](C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001282465354 953598742 /nfs/dbraw/zinc/59/87/42/953598742.db2.gz RTQBKYRSBXIDCY-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001346453961 953893543 /nfs/dbraw/zinc/89/35/43/953893543.db2.gz VTBQPAIVFBZVSH-HZPDHXFCSA-N 2 0 300.406 0.865 20 30 DCEDRP C[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C[NH+]1CCN(C)CC1 ZINC001346492055 953901399 /nfs/dbraw/zinc/90/13/99/953901399.db2.gz FPTZWQIOSQRFNK-CABCVRRESA-N 2 0 309.458 0.397 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001283897990 954706473 /nfs/dbraw/zinc/70/64/73/954706473.db2.gz HDCLSPYKFQTHBJ-ZBFHGGJFSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001284178859 954905356 /nfs/dbraw/zinc/90/53/56/954905356.db2.gz JJHDRQKWFYNFHL-CVEARBPZSA-N 2 0 321.465 0.995 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001284417793 955075901 /nfs/dbraw/zinc/07/59/01/955075901.db2.gz WYOGDHIYTFMDRG-SJORKVTESA-N 2 0 321.465 0.826 20 30 DCEDRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2C#N)C1 ZINC001367626864 958215694 /nfs/dbraw/zinc/21/56/94/958215694.db2.gz QNWGYGNIYBFCND-HZPDHXFCSA-N 2 0 316.405 0.077 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]C[C@@H]2CCOC2)CC1 ZINC001491682051 959044824 /nfs/dbraw/zinc/04/48/24/959044824.db2.gz IGHUXNIESQPPSL-GJZGRUSLSA-N 2 0 307.438 0.462 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001369482473 965054654 /nfs/dbraw/zinc/05/46/54/965054654.db2.gz IIMDTDYBEPGKTD-IHRRRGAJSA-N 2 0 317.861 0.878 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001527667802 1015520677 /nfs/dbraw/zinc/52/06/77/1015520677.db2.gz QMCQMWSOXUXLAV-GOEBONIOSA-N 2 0 306.454 0.531 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001394744291 994096931 /nfs/dbraw/zinc/09/69/31/994096931.db2.gz UCACACUTRGFTSS-JHJVBQTASA-N 2 0 303.834 0.488 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001502571081 1015976158 /nfs/dbraw/zinc/97/61/58/1015976158.db2.gz XWHCNUYOPOIHDH-RDJZCZTQSA-N 2 0 307.438 0.437 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001507411583 1016310234 /nfs/dbraw/zinc/31/02/34/1016310234.db2.gz ROYGGGXHICCJGO-HOTGVXAUSA-N 2 0 309.454 0.853 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001507452204 1016336347 /nfs/dbraw/zinc/33/63/47/1016336347.db2.gz ITMLFNRHODMGKS-GJZGRUSLSA-N 2 0 307.438 0.415 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001505668198 1016422078 /nfs/dbraw/zinc/42/20/78/1016422078.db2.gz UZCYTSWQNZFUSY-LSDHHAIUSA-N 2 0 309.454 0.993 20 30 DCEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001507503447 1016427970 /nfs/dbraw/zinc/42/79/70/1016427970.db2.gz CBQNNZCPFFXBGV-BBRMVZONSA-N 2 0 313.417 0.241 20 30 DCEDRP C=C(Cl)CN1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001402287900 1001178707 /nfs/dbraw/zinc/17/87/07/1001178707.db2.gz KKHYWOMBGXUOMH-TZMCWYRMSA-N 2 0 301.818 0.244 20 30 DCEDRP C#CCC[N@@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)CCOC ZINC001508046289 1016622222 /nfs/dbraw/zinc/62/22/22/1016622222.db2.gz RWTJCCWIKGIEJB-UHFFFAOYSA-N 2 0 321.465 0.950 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CCOCC)C2)CC1 ZINC001508155112 1016673379 /nfs/dbraw/zinc/67/33/79/1016673379.db2.gz MJQTVIJJKJAQCT-UHFFFAOYSA-N 2 0 321.465 0.947 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001407855020 1004903208 /nfs/dbraw/zinc/90/32/08/1004903208.db2.gz DFAIOXGUUJLWLD-KBPBESRZSA-N 2 0 315.845 0.898 20 30 DCEDRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1ccccc1C#N ZINC001445267178 1011596550 /nfs/dbraw/zinc/59/65/50/1011596550.db2.gz LRYLPQWDQVADAA-INIZCTEOSA-N 2 0 318.421 0.465 20 30 DCEDRP C=C(Cl)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001424422906 1012485813 /nfs/dbraw/zinc/48/58/13/1012485813.db2.gz UFPFRPIZKJNOOJ-UKRRQHHQSA-N 2 0 315.845 0.634 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001479293964 1017482636 /nfs/dbraw/zinc/48/26/36/1017482636.db2.gz AUDSTXHJKLIYOX-UAGQMJEPSA-N 2 0 319.449 0.462 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001506854595 1017617153 /nfs/dbraw/zinc/61/71/53/1017617153.db2.gz LVDPPYILQIQFRI-ULQDDVLXSA-N 2 0 321.465 0.805 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCCNC(=O)C[NH+]2CCCC2)CC1 ZINC001479922769 1017980108 /nfs/dbraw/zinc/98/01/08/1017980108.db2.gz JPNQDIZKUNOJKV-UHFFFAOYSA-N 2 0 308.470 0.782 20 30 DCEDRP COCC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001497578859 1018244165 /nfs/dbraw/zinc/24/41/65/1018244165.db2.gz KUIJFZSNYXIAGR-AWFCHZOYSA-N 2 0 307.438 0.771 20 30 DCEDRP COCC#CC[NH+]1CCC(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001495541156 1018565317 /nfs/dbraw/zinc/56/53/17/1018565317.db2.gz UQCJLDIOFQPRTR-UHFFFAOYSA-N 2 0 321.465 0.950 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001480547830 1018645599 /nfs/dbraw/zinc/64/55/99/1018645599.db2.gz DPBDEDBOMODKDL-UONOGXRCSA-N 2 0 324.469 0.503 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001480547831 1018646011 /nfs/dbraw/zinc/64/60/11/1018646011.db2.gz DPBDEDBOMODKDL-ZIAGYGMSSA-N 2 0 324.469 0.503 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001495728670 1018672841 /nfs/dbraw/zinc/67/28/41/1018672841.db2.gz CODXBTJMCOEAMX-JYJNAYRXSA-N 2 0 309.454 0.708 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001498132209 1018677202 /nfs/dbraw/zinc/67/72/02/1018677202.db2.gz KCFSOSUIFXIPPF-JKSUJKDBSA-N 2 0 309.454 0.993 20 30 DCEDRP C=C(C)C[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001480607559 1018703152 /nfs/dbraw/zinc/70/31/52/1018703152.db2.gz BGLMCTDWPQEMOD-HNNXBMFYSA-N 2 0 324.469 0.459 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001480659771 1018750147 /nfs/dbraw/zinc/75/01/47/1018750147.db2.gz VMDMHIXIAAUSKC-CQSZACIVSA-N 2 0 322.453 0.069 20 30 DCEDRP C=C(C)CC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001501365209 1019100490 /nfs/dbraw/zinc/10/04/90/1019100490.db2.gz XIZOIGWCNGWXTH-WBVHZDCISA-N 2 0 309.454 0.847 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+][C@@H](CC)C(N)=O)CC1 ZINC001496238791 1019186409 /nfs/dbraw/zinc/18/64/09/1019186409.db2.gz MXCIWHUMRJYBFG-ZFWWWQNUSA-N 2 0 322.453 0.032 20 30 DCEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001502052772 1019661641 /nfs/dbraw/zinc/66/16/41/1019661641.db2.gz CBSOGLZMGMGFOO-CVEARBPZSA-N 2 0 307.438 0.721 20 30 DCEDRP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001661895399 1174168399 /nfs/dbraw/zinc/16/83/99/1174168399.db2.gz DZMWDXAOUMQZRN-HOTGVXAUSA-N 2 0 307.438 0.559 20 30 DCEDRP C[N@@H+]1CC[C@@](O)(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000262317939 529800299 /nfs/dbraw/zinc/80/02/99/529800299.db2.gz RAGKXLPNLSSTMI-CZUORRHYSA-N 2 0 304.394 0.481 20 30 DCEDRP [NH2+]=C(NCc1cccc(CNC(=[NH2+])NC2CC2)c1)NC1CC1 ZINC000274194071 238291745 /nfs/dbraw/zinc/29/17/45/238291745.db2.gz LJMLRYXLENWXMA-UHFFFAOYSA-N 2 0 300.410 0.820 20 30 DCEDRP COCCNC(=[NH2+])NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000264269577 533340288 /nfs/dbraw/zinc/34/02/88/533340288.db2.gz LHKBOTJGHBQMLB-UHFFFAOYSA-N 2 0 308.426 0.720 20 30 DCEDRP CCNC(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)=[NH+]CC ZINC000066245385 396004133 /nfs/dbraw/zinc/00/41/33/396004133.db2.gz RHHTUSNNVSKAMY-MRXNPFEDSA-N 2 0 304.438 0.981 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000279067382 396150926 /nfs/dbraw/zinc/15/09/26/396150926.db2.gz TUFWQYLNAQBVEY-GFCCVEGCSA-N 2 0 303.410 0.867 20 30 DCEDRP N#Cc1ccc(CC[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000595893672 396677914 /nfs/dbraw/zinc/67/79/14/396677914.db2.gz RTLIMJPVNWNBJP-INIZCTEOSA-N 2 0 300.406 0.888 20 30 DCEDRP N#Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)o1 ZINC000600769477 396941026 /nfs/dbraw/zinc/94/10/26/396941026.db2.gz VVIANADHTMOXMD-CYBMUJFWSA-N 2 0 302.378 0.795 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[N@@H+](CC)CC2)CC1 ZINC000343735164 415701103 /nfs/dbraw/zinc/70/11/03/415701103.db2.gz FWQGSZWSBIIYRG-UHFFFAOYSA-N 2 0 322.453 0.307 20 30 DCEDRP O=C(NCC[NH+]1CCC1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000328647726 416125423 /nfs/dbraw/zinc/12/54/23/416125423.db2.gz ACIVQSYOWUXXJH-HUUCEWRRSA-N 2 0 310.442 0.574 20 30 DCEDRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000329393480 416167457 /nfs/dbraw/zinc/16/74/57/416167457.db2.gz WEWZSISTJBREFE-INIZCTEOSA-N 2 0 323.485 0.610 20 30 DCEDRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000329774540 416190665 /nfs/dbraw/zinc/19/06/65/416190665.db2.gz MJFLWQVEOLMVRC-ILXRZTDVSA-N 2 0 311.474 0.465 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000186952430 416257978 /nfs/dbraw/zinc/25/79/78/416257978.db2.gz YGXJEGCNSCQMLH-HNNXBMFYSA-N 2 0 321.465 0.635 20 30 DCEDRP C#CCN1CCN(C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)CC1 ZINC000490761014 416575871 /nfs/dbraw/zinc/57/58/71/416575871.db2.gz QRQOSIKDVARZKA-UHFFFAOYSA-N 2 0 306.454 0.037 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642795909 417104538 /nfs/dbraw/zinc/10/45/38/417104538.db2.gz CJCUQPWVEDBRBT-HNNXBMFYSA-N 2 0 322.453 0.401 20 30 DCEDRP C=CC[C@@]1(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CCC[NH2+]1 ZINC000638496244 417472988 /nfs/dbraw/zinc/47/29/88/417472988.db2.gz REWOWGSMBCKYLJ-BBRMVZONSA-N 2 0 308.426 0.141 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000490698619 332857345 /nfs/dbraw/zinc/85/73/45/332857345.db2.gz NLJPMSUQQGCEGG-OAHLLOKOSA-N 2 0 309.454 0.947 20 30 DCEDRP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N(C)C[C@H]1CCOC1 ZINC000261638690 337607032 /nfs/dbraw/zinc/60/70/32/337607032.db2.gz KNFDDONXPVMZGQ-CQSZACIVSA-N 2 0 312.458 0.641 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000430711503 338111979 /nfs/dbraw/zinc/11/19/79/338111979.db2.gz XAHVNCDSRAVDMX-UHFFFAOYSA-N 2 0 318.425 0.583 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433126922 338182508 /nfs/dbraw/zinc/18/25/08/338182508.db2.gz QIYLHOYIBXOYRO-UHFFFAOYSA-N 3 0 308.470 0.956 20 30 DCEDRP C#CCNC(=O)CC[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000491626167 339869249 /nfs/dbraw/zinc/86/92/49/339869249.db2.gz IFUCRPUGZQKELG-UHFFFAOYSA-N 2 0 303.406 0.856 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001566965966 1160196429 /nfs/dbraw/zinc/19/64/29/1160196429.db2.gz PHDPIAXKLGUQRJ-CVEARBPZSA-N 2 0 309.454 0.805 20 30 DCEDRP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001569950668 1161343495 /nfs/dbraw/zinc/34/34/95/1161343495.db2.gz QKCQWFXJSIOESR-HZPDHXFCSA-N 2 0 309.454 0.990 20 30 DCEDRP N#CCNC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182984077 534672866 /nfs/dbraw/zinc/67/28/66/534672866.db2.gz XJGWFPMXBZIQGT-UHFFFAOYSA-N 2 0 308.426 0.451 20 30 DCEDRP C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261671266 526377790 /nfs/dbraw/zinc/37/77/90/526377790.db2.gz BZXDBPTWSAEOPD-HUUCEWRRSA-N 2 0 320.441 0.463 20 30 DCEDRP C=C(C)CNC(=[NH2+])NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000263046046 526575757 /nfs/dbraw/zinc/57/57/57/526575757.db2.gz CXYSTMGXNPEACQ-UHFFFAOYSA-N 2 0 309.458 0.263 20 30 DCEDRP CC[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261692884 528813452 /nfs/dbraw/zinc/81/34/52/528813452.db2.gz FGWWEPDCPPJEAR-BPLDGKMQSA-N 2 0 310.442 0.440 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@H]([C@H](C)[NH2+]CC)C2)CC1 ZINC000979461956 660752690 /nfs/dbraw/zinc/75/26/90/660752690.db2.gz SYUMYYBDWJISPL-HOCLYGCPSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028036763 661092141 /nfs/dbraw/zinc/09/21/41/661092141.db2.gz GNCIOVAIUCRSSM-GYMHETDLSA-N 2 0 305.422 0.616 20 30 DCEDRP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000981646172 661189506 /nfs/dbraw/zinc/18/95/06/661189506.db2.gz IFNVARLTSOSVEB-UPTPFMHGSA-N 2 0 319.449 0.960 20 30 DCEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC000981688883 661195435 /nfs/dbraw/zinc/19/54/35/661195435.db2.gz GVVPHNGHDMYRRK-OAHLLOKOSA-N 2 0 305.422 0.265 20 30 DCEDRP CC#CCN1CCO[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC000972553047 657766276 /nfs/dbraw/zinc/76/62/76/657766276.db2.gz XVCYOAZPPISLDA-WMZOPIPTSA-N 2 0 319.449 0.797 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC000969594988 658012505 /nfs/dbraw/zinc/01/25/05/658012505.db2.gz FGVKZOBQKFJXMY-RBSFLKMASA-N 2 0 320.437 0.058 20 30 DCEDRP C#CCN1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000969834316 658191120 /nfs/dbraw/zinc/19/11/20/658191120.db2.gz XJJHCTSUBQZBGG-PBHICJAKSA-N 2 0 319.449 0.700 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)C[N@H+](CC)CCO3)CC1 ZINC000972686638 658243031 /nfs/dbraw/zinc/24/30/31/658243031.db2.gz AYPYKVDEOTYQJL-GOSISDBHSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C2(N3CCOCC3)CCCC2)C1 ZINC001022795106 658566528 /nfs/dbraw/zinc/56/65/28/658566528.db2.gz LBDQGVGVNZMPMH-GASCZTMLSA-N 2 0 305.422 0.501 20 30 DCEDRP C#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000972374622 658634515 /nfs/dbraw/zinc/63/45/15/658634515.db2.gz QYBFUJPOYPCXCN-FUHWJXTLSA-N 2 0 319.449 0.796 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001022097427 658859258 /nfs/dbraw/zinc/85/92/58/658859258.db2.gz XGOUNUKOJWSTPQ-TWMKSMIVSA-N 2 0 319.449 0.603 20 30 DCEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022122204 658879136 /nfs/dbraw/zinc/87/91/36/658879136.db2.gz RAIVTHTYOWBEEX-RFQIPJPRSA-N 2 0 313.829 0.839 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CCO)C[C@]2(C)C1 ZINC000982298894 661344929 /nfs/dbraw/zinc/34/49/29/661344929.db2.gz PRYXFRFJZKMCPS-RYQLBKOJSA-N 2 0 319.449 0.247 20 30 DCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001028592882 661662761 /nfs/dbraw/zinc/66/27/61/661662761.db2.gz UUELVYVSHFJKBS-NVXWUHKLSA-N 2 0 319.449 0.701 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698837 661765072 /nfs/dbraw/zinc/76/50/72/661765072.db2.gz QPXKFRMFTBHTNI-VUGNNNGISA-N 2 0 317.433 0.311 20 30 DCEDRP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028699332 661766592 /nfs/dbraw/zinc/76/65/92/661766592.db2.gz XTHJCCFCBMQZGP-BOLLXYOYSA-N 2 0 305.422 0.474 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001029004327 661929953 /nfs/dbraw/zinc/92/99/53/661929953.db2.gz VOLGQFUTBLWXBI-HNNXBMFYSA-N 2 0 307.438 0.152 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H](C)O)CC1 ZINC001029596302 662423125 /nfs/dbraw/zinc/42/31/25/662423125.db2.gz JDRGBCRDIWVAOI-OIISXLGYSA-N 2 0 319.449 0.388 20 30 DCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@@H]1C ZINC000986302186 662581386 /nfs/dbraw/zinc/58/13/86/662581386.db2.gz YMUIDPCZOMSLBP-ZIAGYGMSSA-N 2 0 303.410 0.271 20 30 DCEDRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCC#CC[NH+](C)C)cn1 ZINC000913523648 664334960 /nfs/dbraw/zinc/33/49/60/664334960.db2.gz HKPFTNIYPKKGBB-HOTGVXAUSA-N 2 0 317.437 0.137 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C[NH+](C)C)OCC)CC1 ZINC000917141709 665119080 /nfs/dbraw/zinc/11/90/80/665119080.db2.gz HVFMRENEFQYIPP-HNNXBMFYSA-N 2 0 312.458 0.903 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]C[C@H](C)O)C(C)(C)C2)CC1 ZINC000996674825 666855469 /nfs/dbraw/zinc/85/54/69/666855469.db2.gz WZYGQUIKMUEYJD-GOEBONIOSA-N 2 0 321.465 0.539 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000884642477 667581193 /nfs/dbraw/zinc/58/11/93/667581193.db2.gz KFGGIKAHIPQACB-LSDHHAIUSA-N 2 0 320.437 0.106 20 30 DCEDRP C#CCN(C(=O)c1cnn(CC[NH+](C)C)c1)C1CC[NH+](C)CC1 ZINC000886574885 667778108 /nfs/dbraw/zinc/77/81/08/667778108.db2.gz XHCCTSZZLKPXPU-UHFFFAOYSA-N 2 0 317.437 0.614 20 30 DCEDRP C#CCC1([NH2+]CC(=O)NC2CC[NH+](CC)CC2)CCOCC1 ZINC000887125596 667852324 /nfs/dbraw/zinc/85/23/24/667852324.db2.gz CBMALFNZWUQDQG-UHFFFAOYSA-N 2 0 307.438 0.749 20 30 DCEDRP C=CCCCNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875310411 668298820 /nfs/dbraw/zinc/29/88/20/668298820.db2.gz PLFXTFVANVKAOW-HUUCEWRRSA-N 2 0 324.469 0.267 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@@H](C[NH+](C)C)OCC)CC1 ZINC000926849073 668435803 /nfs/dbraw/zinc/43/58/03/668435803.db2.gz GNEKNDVZUNMUQC-HNNXBMFYSA-N 2 0 310.442 0.350 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000928649005 668611612 /nfs/dbraw/zinc/61/16/12/668611612.db2.gz FKODSEHHYKUUIQ-UHFFFAOYSA-N 2 0 303.410 0.272 20 30 DCEDRP CC#CCN1CCOC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000949317587 670311563 /nfs/dbraw/zinc/31/15/63/670311563.db2.gz SYAUDWCREZERHQ-INIZCTEOSA-N 2 0 319.449 0.797 20 30 DCEDRP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000848421119 670679895 /nfs/dbraw/zinc/67/98/95/670679895.db2.gz AVZDWUKOAQJUOP-ZDUSSCGKSA-N 2 0 317.393 0.725 20 30 DCEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)C(C)C ZINC000852859219 671176902 /nfs/dbraw/zinc/17/69/02/671176902.db2.gz PJTAGUIMFRQRET-ZFWWWQNUSA-N 2 0 308.426 0.905 20 30 DCEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)C(C)C ZINC000852859217 671177037 /nfs/dbraw/zinc/17/70/37/671177037.db2.gz PJTAGUIMFRQRET-HIFRSBDPSA-N 2 0 308.426 0.905 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000852874575 671182550 /nfs/dbraw/zinc/18/25/50/671182550.db2.gz BDIMYYLOUCQYPS-UHFFFAOYSA-N 2 0 301.394 0.749 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000900505096 685449298 /nfs/dbraw/zinc/44/92/98/685449298.db2.gz STJZQNOCVOXFSJ-OAHLLOKOSA-N 2 0 322.453 0.435 20 30 DCEDRP CC[C@H](CNC(=[NH2+])NCCCN1CCOCC1)[NH+]1CCCC1 ZINC000303881104 685208010 /nfs/dbraw/zinc/20/80/10/685208010.db2.gz HKFXZYLAAGWIFB-OAHLLOKOSA-N 2 0 311.474 0.487 20 30 DCEDRP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038535017 694109437 /nfs/dbraw/zinc/10/94/37/694109437.db2.gz JTFJOZLVLUTYFY-GYMHETDLSA-N 2 0 305.422 0.616 20 30 DCEDRP C#CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214370 687445220 /nfs/dbraw/zinc/44/52/20/687445220.db2.gz GNSVWRBWFPGBQA-CABCVRRESA-N 2 0 305.422 0.047 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214158 687445261 /nfs/dbraw/zinc/44/52/61/687445261.db2.gz DUOTZGSFVHTMQR-GJZGRUSLSA-N 2 0 307.438 0.600 20 30 DCEDRP C=CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958219012 687450161 /nfs/dbraw/zinc/45/01/61/687450161.db2.gz GXRQVTXVCYGFGH-ZFWWWQNUSA-N 2 0 300.362 0.543 20 30 DCEDRP C=CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000958729879 687881932 /nfs/dbraw/zinc/88/19/32/687881932.db2.gz YZLJVMGIMVKFFU-RDJZCZTQSA-N 2 0 317.433 0.957 20 30 DCEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000959953362 688268629 /nfs/dbraw/zinc/26/86/29/688268629.db2.gz MAGKIVYLEQHIQL-NHAGDIPZSA-N 2 0 303.410 0.291 20 30 DCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000963809131 689098098 /nfs/dbraw/zinc/09/80/98/689098098.db2.gz VAZOJOSJTDPDEW-HVEGKCCWSA-N 2 0 301.434 0.978 20 30 DCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)C3CC[NH+](CC#C)CC3)C2)C1 ZINC000965933101 689586527 /nfs/dbraw/zinc/58/65/27/689586527.db2.gz NKBYNQZPMTUAMX-UHFFFAOYSA-N 2 0 313.445 0.982 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014709166 692077953 /nfs/dbraw/zinc/07/79/53/692077953.db2.gz AVTZBOTXLXGXKR-NVXWUHKLSA-N 2 0 319.449 0.844 20 30 DCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC001072913602 694683193 /nfs/dbraw/zinc/68/31/93/694683193.db2.gz CFTGRMNRKAXYDY-HNNXBMFYSA-N 2 0 305.422 0.263 20 30 DCEDRP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073861969 694793722 /nfs/dbraw/zinc/79/37/22/694793722.db2.gz KTTPHUXYPVYBIN-HNNXBMFYSA-N 2 0 307.438 0.865 20 30 DCEDRP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075798915 694977475 /nfs/dbraw/zinc/97/74/75/694977475.db2.gz SYHPFMNETVHSHD-GVDBMIGSSA-N 2 0 301.434 0.884 20 30 DCEDRP C#CC[N@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001571525686 1162797130 /nfs/dbraw/zinc/79/71/30/1162797130.db2.gz VRZUSMPDULCTDO-HOCLYGCPSA-N 2 0 307.438 0.700 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001691153624 1157599281 /nfs/dbraw/zinc/59/92/81/1157599281.db2.gz AYHSDWPVDYQBQZ-AWEZNQCLSA-N 2 0 322.453 0.069 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001754616002 1157807250 /nfs/dbraw/zinc/80/72/50/1157807250.db2.gz LJSCEZRBFSWWAR-KBPBESRZSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)Cn2ccnc2C)C1 ZINC001752335303 1157912199 /nfs/dbraw/zinc/91/21/99/1157912199.db2.gz PFOVYXQXSSDHBO-OAHLLOKOSA-N 2 0 306.410 0.975 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001755092008 1157916688 /nfs/dbraw/zinc/91/66/88/1157916688.db2.gz SOSYHPOAANMSOZ-SFHVURJKSA-N 2 0 321.465 0.829 20 30 DCEDRP C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001755443792 1158141870 /nfs/dbraw/zinc/14/18/70/1158141870.db2.gz DEFWXJLDIKZXSI-HUUCEWRRSA-N 2 0 309.454 0.803 20 30 DCEDRP C=C(C)C[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001691535317 1158316566 /nfs/dbraw/zinc/31/65/66/1158316566.db2.gz FBAUROZNVOMHMH-JKSUJKDBSA-N 2 0 309.454 0.800 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001691571110 1158341787 /nfs/dbraw/zinc/34/17/87/1158341787.db2.gz FNJABYFZZOXGLT-RRFJBIMHSA-N 2 0 322.453 0.257 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001566909562 1159851884 /nfs/dbraw/zinc/85/18/84/1159851884.db2.gz ZYDALUFKCDBSGM-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001566724384 1160137865 /nfs/dbraw/zinc/13/78/65/1160137865.db2.gz HQLVFRBVSWCMCE-GOEBONIOSA-N 2 0 307.438 0.462 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001566793682 1160154678 /nfs/dbraw/zinc/15/46/78/1160154678.db2.gz XHSMTNQEWZARIZ-FDYHWXHSSA-N 2 0 317.393 0.052 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001566890458 1160178122 /nfs/dbraw/zinc/17/81/22/1160178122.db2.gz RRFPJILZMWLISF-CABCVRRESA-N 2 0 322.453 0.211 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001566905291 1160181050 /nfs/dbraw/zinc/18/10/50/1160181050.db2.gz OVYCKPTZFOJESN-IRXDYDNUSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001567399698 1160348674 /nfs/dbraw/zinc/34/86/74/1160348674.db2.gz CILLKBCCLMRYBF-IAGOWNOFSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567402693 1160350531 /nfs/dbraw/zinc/35/05/31/1160350531.db2.gz GRSLUTMNRUEOJN-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001567498315 1160396787 /nfs/dbraw/zinc/39/67/87/1160396787.db2.gz DGNFPCIEEOMXDT-QLFBSQMISA-N 2 0 324.469 0.455 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC2CCOCC2)CC1 ZINC001569098793 1160940979 /nfs/dbraw/zinc/94/09/79/1160940979.db2.gz FUPMWKRMSSGWJZ-HNNXBMFYSA-N 2 0 321.465 0.853 20 30 DCEDRP C=CCCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001569749238 1161222638 /nfs/dbraw/zinc/22/26/38/1161222638.db2.gz RFLMGDRPOSGUDS-SJLPKXTDSA-N 2 0 321.465 0.847 20 30 DCEDRP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001569752956 1161223937 /nfs/dbraw/zinc/22/39/37/1161223937.db2.gz RLPKUFQFJHOFPB-NVXWUHKLSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001569765823 1161234214 /nfs/dbraw/zinc/23/42/14/1161234214.db2.gz RSUAAGNAWLADRD-RDJZCZTQSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001570290585 1161545144 /nfs/dbraw/zinc/54/51/44/1161545144.db2.gz ALMCWJPLWFDTOW-GOSISDBHSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CCN(C(=O)c1[nH]nc2c1C[NH2+]CC2)C1CC[NH+](C)CC1 ZINC001574603865 1163734162 /nfs/dbraw/zinc/73/41/62/1163734162.db2.gz GVANBJDOHSPBSG-UHFFFAOYSA-N 2 0 301.394 0.225 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)c2cn(C3C[NH2+]C3)nn2)CC1 ZINC001574836157 1163767317 /nfs/dbraw/zinc/76/73/17/1163767317.db2.gz JPDCUOQPYQGBIL-UHFFFAOYSA-N 2 0 304.398 0.193 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]1[NH+]1CCC(O)CC1 ZINC001574852358 1163771655 /nfs/dbraw/zinc/77/16/55/1163771655.db2.gz RQHJBUPPKDEGDM-IHRRRGAJSA-N 2 0 315.845 0.950 20 30 DCEDRP C=CC1(CC(=O)NCC2([NH+]3CCCC3)CCOCC2)C[NH2+]C1 ZINC001574879383 1163782066 /nfs/dbraw/zinc/78/20/66/1163782066.db2.gz BIPCVEPJEQSUQK-UHFFFAOYSA-N 2 0 307.438 0.913 20 30 DCEDRP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]([NH3+])Cc1ccccn1 ZINC001578416311 1165006999 /nfs/dbraw/zinc/00/69/99/1165006999.db2.gz OEYHEOWHNJIWPW-OAHLLOKOSA-N 2 0 303.410 0.645 20 30 DCEDRP COC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC001579081615 1165203186 /nfs/dbraw/zinc/20/31/86/1165203186.db2.gz CPAYUAIUUTVQLH-HNNXBMFYSA-N 2 0 304.394 0.422 20 30 DCEDRP C#CCN(C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)C1CC[NH+](C)CC1 ZINC001646421648 1172374679 /nfs/dbraw/zinc/37/46/79/1172374679.db2.gz OLBRBACJLYCWJU-HZPDHXFCSA-N 2 0 307.438 0.388 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001671246721 1173261910 /nfs/dbraw/zinc/26/19/10/1173261910.db2.gz WRTCGDAETHZNPY-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001656784478 1173885512 /nfs/dbraw/zinc/88/55/12/1173885512.db2.gz RPKKWIXASNADJS-KRWDZBQOSA-N 2 0 321.465 0.781 20 30 DCEDRP CC#CC[N@H+](C)CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001660145459 1173950548 /nfs/dbraw/zinc/95/05/48/1173950548.db2.gz DLXDEZOVNCEPJY-UHFFFAOYSA-N 2 0 305.426 0.520 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001662268749 1174194008 /nfs/dbraw/zinc/19/40/08/1174194008.db2.gz OQQRBXOABFVEMK-CYBMUJFWSA-N 2 0 308.426 0.011 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CC[C@H]2CCOC2)CC1 ZINC001662424905 1174208863 /nfs/dbraw/zinc/20/88/63/1174208863.db2.gz OWJSCYULKYQJSK-CVEARBPZSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[N@@H+](CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC001664558068 1174440451 /nfs/dbraw/zinc/44/04/51/1174440451.db2.gz YCXGBTJDXVQUBP-INIZCTEOSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001664853190 1174466873 /nfs/dbraw/zinc/46/68/73/1174466873.db2.gz GXVVXCCRZCBBLZ-CVEARBPZSA-N 2 0 307.438 0.368 20 30 DCEDRP COCC#CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001664869286 1174467616 /nfs/dbraw/zinc/46/76/16/1174467616.db2.gz VMNCBGUXVLMEQN-KRWDZBQOSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCOCC)C2)CC1 ZINC001665597177 1174533663 /nfs/dbraw/zinc/53/36/63/1174533663.db2.gz RBCLGTRSHPLKKI-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001667701580 1174703347 /nfs/dbraw/zinc/70/33/47/1174703347.db2.gz NJIPOLSHTBCODR-DLBZAZTESA-N 2 0 321.465 0.899 20 30 DCEDRP C#CCN(C(=O)CCC[NH+](C)C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001671491479 1175014479 /nfs/dbraw/zinc/01/44/79/1175014479.db2.gz CCRHPVMTELQTDJ-OAHLLOKOSA-N 2 0 309.454 0.635 20 30 DCEDRP C#CC[NH2+]C1CCN(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001672464752 1175110434 /nfs/dbraw/zinc/11/04/34/1175110434.db2.gz XBISATAGKXOROW-UHFFFAOYSA-N 2 0 306.454 0.132 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001676272862 1175434132 /nfs/dbraw/zinc/43/41/32/1175434132.db2.gz DWHGGPXESPAMIR-JKSUJKDBSA-N 2 0 307.438 0.415 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC1(C)C ZINC001677043723 1175514413 /nfs/dbraw/zinc/51/44/13/1175514413.db2.gz UMBJIMOOVPWEOH-CQSZACIVSA-N 2 0 324.469 0.455 20 30 DCEDRP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001677157121 1175539746 /nfs/dbraw/zinc/53/97/46/1175539746.db2.gz RTSIOKQFEAZXBZ-HZPDHXFCSA-N 2 0 309.454 0.634 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCCO)C(C)(C)C)CC1 ZINC001677306069 1175553563 /nfs/dbraw/zinc/55/35/63/1175553563.db2.gz ANBJLLYBDBQEKO-INIZCTEOSA-N 2 0 323.481 0.835 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1OCC ZINC001689072794 1176689387 /nfs/dbraw/zinc/68/93/87/1176689387.db2.gz RCRQQHKJTCZXKW-IAGOWNOFSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001690436326 1177242520 /nfs/dbraw/zinc/24/25/20/1177242520.db2.gz MDBQYEGABFPKSL-INIZCTEOSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001690634270 1177289191 /nfs/dbraw/zinc/28/91/91/1177289191.db2.gz UVXXTDYGZXOMFK-AWEZNQCLSA-N 2 0 310.442 0.115 20 30 DCEDRP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001692234357 1177455298 /nfs/dbraw/zinc/45/52/98/1177455298.db2.gz URWQTWHVROBEBI-INIZCTEOSA-N 2 0 321.465 0.779 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C[C@H]2CCCN2C(=O)CC[NH+](C)C)C1=O ZINC001698732528 1177622632 /nfs/dbraw/zinc/62/26/32/1177622632.db2.gz UUEHHPUNLBQKHS-CABCVRRESA-N 2 0 322.453 0.306 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001699011494 1177769839 /nfs/dbraw/zinc/76/98/39/1177769839.db2.gz AJVGTCQMEJOWMO-IAGOWNOFSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CC[C@H]2CCOC2)CC1 ZINC001699388706 1178114106 /nfs/dbraw/zinc/11/41/06/1178114106.db2.gz WCQWAEIVHBCESJ-CVEARBPZSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001699781594 1178285937 /nfs/dbraw/zinc/28/59/37/1178285937.db2.gz YCYQMCUREVUJFJ-GDBMZVCRSA-N 2 0 307.438 0.388 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001699807708 1178292894 /nfs/dbraw/zinc/29/28/94/1178292894.db2.gz GXLMHKVAMXAZKA-KRWDZBQOSA-N 2 0 320.481 0.570 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001699943759 1178392002 /nfs/dbraw/zinc/39/20/02/1178392002.db2.gz IMWHXLHGSUAVLB-JKSUJKDBSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([C@H](C)[NH2+]CCOC)C2)CC1 ZINC001699956758 1178396656 /nfs/dbraw/zinc/39/66/56/1178396656.db2.gz RHCPIUCOODMJAM-DOTOQJQBSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001700308048 1178575028 /nfs/dbraw/zinc/57/50/28/1178575028.db2.gz LXHROZHJHGYWET-IYBDPMFKSA-N 2 0 321.465 0.826 20 30 DCEDRP COCC#CC[NH2+]CC1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001700381050 1178604147 /nfs/dbraw/zinc/60/41/47/1178604147.db2.gz LZLSPRSEARLGRP-QQFBHYJXSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001700945741 1178824191 /nfs/dbraw/zinc/82/41/91/1178824191.db2.gz ASJQEGMXRIILHF-MRXNPFEDSA-N 2 0 317.433 0.446 20 30 DCEDRP C#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001700963396 1178839687 /nfs/dbraw/zinc/83/96/87/1178839687.db2.gz CBVWZJVZADZXDD-CVEARBPZSA-N 2 0 309.454 0.491 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001707023699 1180400672 /nfs/dbraw/zinc/40/06/72/1180400672.db2.gz UMVQFWNHZGRJMI-QLFBSQMISA-N 2 0 322.453 0.067 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](CC)C[C@@H](C)O)CC1 ZINC001707469628 1180528754 /nfs/dbraw/zinc/52/87/54/1180528754.db2.gz GEQXBKRRZADVPI-OAHLLOKOSA-N 2 0 309.454 0.541 20 30 DCEDRP C#CC[NH2+][C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)C1CC1 ZINC001713108526 1180684526 /nfs/dbraw/zinc/68/45/26/1180684526.db2.gz MJDJFQKVAQAGNY-OAHLLOKOSA-N 2 0 303.410 0.176 20 30 DCEDRP COCC#CC[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001713771633 1181055705 /nfs/dbraw/zinc/05/57/05/1181055705.db2.gz NTDRKLXYTXQYAO-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP CC#CC[NH2+][C@@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001713884142 1181128945 /nfs/dbraw/zinc/12/89/45/1181128945.db2.gz QXKGYJKTFCXGAU-ZBFHGGJFSA-N 2 0 307.438 0.462 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001714093747 1181240749 /nfs/dbraw/zinc/24/07/49/1181240749.db2.gz QHPWEQASENQTFS-HNNXBMFYSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001714142331 1181260442 /nfs/dbraw/zinc/26/04/42/1181260442.db2.gz RVYRZZGWFJMRDB-LSDHHAIUSA-N 2 0 322.453 0.211 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001714391302 1181348096 /nfs/dbraw/zinc/34/80/96/1181348096.db2.gz PVMVHTATKCCSCS-GOEBONIOSA-N 2 0 307.438 0.320 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001714796368 1181552221 /nfs/dbraw/zinc/55/22/21/1181552221.db2.gz FXRVGOUYTHTEIU-AWEZNQCLSA-N 2 0 310.442 0.211 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CCN2CC[NH+](CC)CC2)CC1 ZINC001714890787 1181589081 /nfs/dbraw/zinc/58/90/81/1181589081.db2.gz IQUQCDKKFGYONK-UHFFFAOYSA-N 2 0 320.481 0.428 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001714908346 1181595962 /nfs/dbraw/zinc/59/59/62/1181595962.db2.gz NBCYYNDXIVDFQV-INIZCTEOSA-N 2 0 309.454 0.757 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@](C)(C[NH2+]CCCO)C2CC2)CC1 ZINC001715128176 1181696317 /nfs/dbraw/zinc/69/63/17/1181696317.db2.gz WCHODCTWYNHWET-SFHVURJKSA-N 2 0 321.465 0.589 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2CC[NH2+]CCO)CC1 ZINC001715452598 1181817152 /nfs/dbraw/zinc/81/71/52/1181817152.db2.gz FGQWJWZDSDOGNP-KRWDZBQOSA-N 2 0 321.465 0.685 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001715953200 1182116702 /nfs/dbraw/zinc/11/67/02/1182116702.db2.gz QSPIJZLGMSCPTO-CQSZACIVSA-N 2 0 324.469 0.503 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1=O ZINC001716399706 1182375523 /nfs/dbraw/zinc/37/55/23/1182375523.db2.gz DTOATIIIOFPEDT-KFWWJZLASA-N 2 0 324.469 0.454 20 30 DCEDRP CC#CC[N@H+](C)C[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001716498031 1182413699 /nfs/dbraw/zinc/41/36/99/1182413699.db2.gz MBBXAVDOIHUSNX-CQSZACIVSA-N 2 0 305.426 0.518 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+][C@H](CC)C(N)=O)CC1 ZINC001716586072 1182456506 /nfs/dbraw/zinc/45/65/06/1182456506.db2.gz NDOAUHJNWZHIFR-OAHLLOKOSA-N 2 0 322.453 0.034 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCC[C@H](C)O)CC1 ZINC001716670479 1182488299 /nfs/dbraw/zinc/48/82/99/1182488299.db2.gz FRGPGZZSUCMWGU-RDJZCZTQSA-N 2 0 321.465 0.683 20 30 DCEDRP C=CC[NH+]1CC[C@H](N2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001716830937 1182537606 /nfs/dbraw/zinc/53/76/06/1182537606.db2.gz AHCIIJAKSRPFMX-INIZCTEOSA-N 2 0 308.470 0.733 20 30 DCEDRP C#CC[NH2+]C1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001717015737 1182624070 /nfs/dbraw/zinc/62/40/70/1182624070.db2.gz QOZITDQZGTVOTK-KRWDZBQOSA-N 2 0 320.481 0.664 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001717186174 1182718197 /nfs/dbraw/zinc/71/81/97/1182718197.db2.gz KAARYIZAGZUTPP-MRXNPFEDSA-N 2 0 307.438 0.703 20 30 DCEDRP CC#CC[NH+]1CCC2(CC1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001717345492 1182793113 /nfs/dbraw/zinc/79/31/13/1182793113.db2.gz GNAYHQBMZFDQDM-UHFFFAOYSA-N 2 0 307.438 0.655 20 30 DCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)CCCC[NH+](C)C)CC1 ZINC001717354165 1182797408 /nfs/dbraw/zinc/79/74/08/1182797408.db2.gz QVMHNKNMSKOFQF-UHFFFAOYSA-N 2 0 309.454 0.685 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+][C@@H](C)COC)C2)CC1 ZINC001717651988 1182938505 /nfs/dbraw/zinc/93/85/05/1182938505.db2.gz AJOWTQXCEVCEIW-ZOBUZTSGSA-N 2 0 321.465 0.851 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]C[C@@H]2CCOC2)CC1 ZINC001717755913 1182979486 /nfs/dbraw/zinc/97/94/86/1182979486.db2.gz AHNKOPPJONBHEV-CVEARBPZSA-N 2 0 321.465 0.805 20 30 DCEDRP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001717938829 1183077488 /nfs/dbraw/zinc/07/74/88/1183077488.db2.gz TWRUXAKIVGXVPR-JKSUJKDBSA-N 2 0 309.454 0.634 20 30 DCEDRP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001717942527 1183081907 /nfs/dbraw/zinc/08/19/07/1183081907.db2.gz UKYRVLRPZZFSTA-OAHLLOKOSA-N 2 0 307.438 0.389 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001723301712 1184282835 /nfs/dbraw/zinc/28/28/35/1184282835.db2.gz REWAKCXFVLKILH-BMFZPTHFSA-N 2 0 307.438 0.461 20 30 DCEDRP C#CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC[NH+](CCO)CC1 ZINC001724065363 1184375201 /nfs/dbraw/zinc/37/52/01/1184375201.db2.gz TUDNCJDPFJOZIT-HZPDHXFCSA-N 2 0 321.465 0.778 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001724981434 1184643534 /nfs/dbraw/zinc/64/35/34/1184643534.db2.gz MCAWIWYOVOBBNR-INIZCTEOSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001731702083 1185449778 /nfs/dbraw/zinc/44/97/78/1185449778.db2.gz KFAZQUMGPQXIBB-HUUCEWRRSA-N 2 0 322.453 0.093 20 30 DCEDRP CC#CC[NH2+][C@H](C)CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001731729903 1185461035 /nfs/dbraw/zinc/46/10/35/1185461035.db2.gz OXHGNRIJZXMFMZ-OAHLLOKOSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001731849880 1185528169 /nfs/dbraw/zinc/52/81/69/1185528169.db2.gz USZNNADMOUKNDT-OAHLLOKOSA-N 2 0 307.438 0.416 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001731859674 1185535100 /nfs/dbraw/zinc/53/51/00/1185535100.db2.gz FKHRXVQXDMVOTM-HUUCEWRRSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001731946858 1185599292 /nfs/dbraw/zinc/59/92/92/1185599292.db2.gz OPIBWDSZHHFTEJ-LSDHHAIUSA-N 2 0 322.453 0.354 20 30 DCEDRP COCC#CCN1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001732128340 1185688672 /nfs/dbraw/zinc/68/86/72/1185688672.db2.gz FFNZYESGCGFPMG-IAGOWNOFSA-N 2 0 319.449 0.701 20 30 DCEDRP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001732444935 1185819797 /nfs/dbraw/zinc/81/97/97/1185819797.db2.gz NFVJCTLCTWXTGI-CQSZACIVSA-N 2 0 305.426 0.518 20 30 DCEDRP COCC#CC[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001732719913 1185934795 /nfs/dbraw/zinc/93/47/95/1185934795.db2.gz KWGAYJNUBDTGKP-HNNXBMFYSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001733044148 1186116087 /nfs/dbraw/zinc/11/60/87/1186116087.db2.gz VOGUBSPEFNZEKF-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](C[C@@H](C)OC)CC1 ZINC001733372560 1186244987 /nfs/dbraw/zinc/24/49/87/1186244987.db2.gz RFOZXPZWONGDHB-OAHLLOKOSA-N 2 0 309.454 0.899 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001733406090 1186260337 /nfs/dbraw/zinc/26/03/37/1186260337.db2.gz LSBWYMYGNZQNGL-KRWDZBQOSA-N 2 0 307.438 0.701 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)CC[N@@H+](C)CCC)CCOCC1 ZINC001733473365 1186281710 /nfs/dbraw/zinc/28/17/10/1186281710.db2.gz ZZNPEKCGLVYFHU-UHFFFAOYSA-N 2 0 309.454 0.997 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001733483400 1186291834 /nfs/dbraw/zinc/29/18/34/1186291834.db2.gz RXBJLNWFFXBERT-HOCLYGCPSA-N 2 0 315.433 0.795 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001733483399 1186292635 /nfs/dbraw/zinc/29/26/35/1186292635.db2.gz RXBJLNWFFXBERT-GOEBONIOSA-N 2 0 315.433 0.795 20 30 DCEDRP C=CCC[N@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001733488092 1186296343 /nfs/dbraw/zinc/29/63/43/1186296343.db2.gz KQMKRZIZRIDBKA-INIZCTEOSA-N 2 0 307.438 0.744 20 30 DCEDRP C=CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001733493269 1186302504 /nfs/dbraw/zinc/30/25/04/1186302504.db2.gz RCACRFOUYFINBR-NVXWUHKLSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001733614798 1186368195 /nfs/dbraw/zinc/36/81/95/1186368195.db2.gz BYVSXIXOPYEEBK-MRXNPFEDSA-N 2 0 321.465 0.685 20 30 DCEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCO1 ZINC001733729440 1186416656 /nfs/dbraw/zinc/41/66/56/1186416656.db2.gz GNLSVGQPHPIFOT-CABCVRRESA-N 2 0 311.426 0.100 20 30 DCEDRP C#CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)C[N@@H+](C)C(C)C)CC2 ZINC001734201435 1186577571 /nfs/dbraw/zinc/57/75/71/1186577571.db2.gz KHILGGYHCVKJNW-MRXNPFEDSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H]([NH2+]C[C@H](C)O)C(C)C)CC1 ZINC001734290708 1186606884 /nfs/dbraw/zinc/60/68/84/1186606884.db2.gz OFWZUBQTOMUFPA-DOTOQJQBSA-N 2 0 323.481 0.833 20 30 DCEDRP C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001734429292 1186651052 /nfs/dbraw/zinc/65/10/52/1186651052.db2.gz WPSZHPVHOMIOMV-HUUCEWRRSA-N 2 0 307.438 0.700 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001734528316 1186677897 /nfs/dbraw/zinc/67/78/97/1186677897.db2.gz WGTXMHMCOWJXSA-JKSUJKDBSA-N 2 0 309.454 0.682 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@@H](C)CNC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001752878446 1188454716 /nfs/dbraw/zinc/45/47/16/1188454716.db2.gz AQWPYHOXPMQNRD-KBPBESRZSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](CCO)C(C)C)CC1 ZINC001753295117 1188559239 /nfs/dbraw/zinc/55/92/39/1188559239.db2.gz DNNFLVCKQHVFSN-UHFFFAOYSA-N 2 0 309.454 0.541 20 30 DCEDRP CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC#CCOC ZINC001753476728 1188606615 /nfs/dbraw/zinc/60/66/15/1188606615.db2.gz GXGNNFMTYDXSMW-HNNXBMFYSA-N 2 0 307.438 0.749 20 30 DCEDRP C#CCNC(=O)C[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001753794465 1188656047 /nfs/dbraw/zinc/65/60/47/1188656047.db2.gz CLZNYRWKXPHCFN-OAHLLOKOSA-N 2 0 322.453 0.048 20 30 DCEDRP C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001753917883 1188681595 /nfs/dbraw/zinc/68/15/95/1188681595.db2.gz PKZREMVXJQGCJQ-AWEZNQCLSA-N 2 0 302.378 0.899 20 30 DCEDRP C#CCC[NH2+]CCN(CC)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001754051435 1188722503 /nfs/dbraw/zinc/72/25/03/1188722503.db2.gz KNIBFWCSAWYEQD-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001754254782 1188800675 /nfs/dbraw/zinc/80/06/75/1188800675.db2.gz ODXKMLHJEMVPOI-CABCVRRESA-N 2 0 322.453 0.095 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC#CC)C2CC2)CC1 ZINC001754461860 1188857935 /nfs/dbraw/zinc/85/79/35/1188857935.db2.gz WGCNUDRBSFKDSB-QGZVFWFLSA-N 2 0 301.434 0.839 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001754599839 1188887026 /nfs/dbraw/zinc/88/70/26/1188887026.db2.gz VMAPOIYLCOQVKV-HZPDHXFCSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001754619948 1188891960 /nfs/dbraw/zinc/89/19/60/1188891960.db2.gz JUNUFOBJQWXBQS-WMZOPIPTSA-N 2 0 319.449 0.703 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001755045281 1189004667 /nfs/dbraw/zinc/00/46/67/1189004667.db2.gz PJAAWTSPRWKWPD-GJZGRUSLSA-N 2 0 324.469 0.409 20 30 DCEDRP C=CCCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001755148089 1189035868 /nfs/dbraw/zinc/03/58/68/1189035868.db2.gz KEIFKYDIWUDAKN-HNNXBMFYSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001755199915 1189053655 /nfs/dbraw/zinc/05/36/55/1189053655.db2.gz AYXFRHQBYMAOCT-IAGOWNOFSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001755252553 1189065115 /nfs/dbraw/zinc/06/51/15/1189065115.db2.gz JHEBJNLTEADTQC-OLZOCXBDSA-N 2 0 310.442 0.113 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC#CCOC ZINC001755328047 1189082338 /nfs/dbraw/zinc/08/23/38/1189082338.db2.gz NQAHMWIRQLJOLA-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001755378767 1189096441 /nfs/dbraw/zinc/09/64/41/1189096441.db2.gz PPSGHQASHVGNBX-OAHLLOKOSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)C[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001755699319 1189188269 /nfs/dbraw/zinc/18/82/69/1189188269.db2.gz AZNAQGWQZCQKNN-PBHICJAKSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CCC[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)CCOC ZINC001755839435 1189232719 /nfs/dbraw/zinc/23/27/19/1189232719.db2.gz OROYLGWHRUGCMS-UHFFFAOYSA-N 2 0 307.438 0.703 20 30 DCEDRP C=C(Br)C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127474525 751412172 /nfs/dbraw/zinc/41/21/72/751412172.db2.gz NEMYWNQZVJQEGO-LBPRGKRZSA-N 2 0 316.243 0.943 20 30 DCEDRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+]CC#CCOC)CC1 ZINC001167480330 747275648 /nfs/dbraw/zinc/27/56/48/747275648.db2.gz AELHHVIFVAKMLJ-UHFFFAOYSA-N 2 0 309.454 0.854 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001167610233 747428054 /nfs/dbraw/zinc/42/80/54/747428054.db2.gz REEQIZCTXFBEBY-OAHLLOKOSA-N 2 0 322.453 0.096 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104621837 747804987 /nfs/dbraw/zinc/80/49/87/747804987.db2.gz MHOQHQHHSSDWOV-HUUCEWRRSA-N 2 0 324.469 0.315 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168022680 749046669 /nfs/dbraw/zinc/04/66/69/749046669.db2.gz PYYRACYMWFNAAY-CABCVRRESA-N 2 0 322.453 0.401 20 30 DCEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001168178095 749582029 /nfs/dbraw/zinc/58/20/29/749582029.db2.gz PSYUNIGXLKUOGH-INIZCTEOSA-N 2 0 321.465 0.854 20 30 DCEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083518817 750088060 /nfs/dbraw/zinc/08/80/60/750088060.db2.gz RQLYFEHLCGZNTK-XHSDSOJGSA-N 2 0 309.454 0.702 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001106808709 751290401 /nfs/dbraw/zinc/29/04/01/751290401.db2.gz UULCKMPRMRKXEI-HUUCEWRRSA-N 2 0 307.438 0.415 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001106811252 751291680 /nfs/dbraw/zinc/29/16/80/751291680.db2.gz YDTSJRAMBVXSGZ-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](C[C@@H]3CCOC3)C2)CC1 ZINC001044335279 752696259 /nfs/dbraw/zinc/69/62/59/752696259.db2.gz GKQAIDBWMHFIQQ-HNNXBMFYSA-N 2 0 319.449 0.511 20 30 DCEDRP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001045505846 753221021 /nfs/dbraw/zinc/22/10/21/753221021.db2.gz DNTVQQGWGAPBEI-SWKXRBFHSA-N 2 0 317.433 0.454 20 30 DCEDRP C=CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046081841 753471022 /nfs/dbraw/zinc/47/10/22/753471022.db2.gz KOGVNDFXZFBCKB-CVEARBPZSA-N 2 0 306.454 0.343 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+]([C@H](C)COC)C2)CC1 ZINC001046849059 753978004 /nfs/dbraw/zinc/97/80/04/753978004.db2.gz AHWJBKFRVZWERV-QAPCUYQASA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001047407512 754254973 /nfs/dbraw/zinc/25/49/73/754254973.db2.gz IUVSDPUCQKLIGT-ULQDDVLXSA-N 2 0 321.465 0.491 20 30 DCEDRP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001047439804 754284283 /nfs/dbraw/zinc/28/42/83/754284283.db2.gz SEEFDGSNHBPZLO-IKGGRYGDSA-N 2 0 321.465 0.634 20 30 DCEDRP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001047553566 754386743 /nfs/dbraw/zinc/38/67/43/754386743.db2.gz LSXFZDTZMNVOFD-ULQDDVLXSA-N 2 0 321.465 0.776 20 30 DCEDRP C=CCN1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052342 754502549 /nfs/dbraw/zinc/50/25/49/754502549.db2.gz CGVWBJWJKOLLHH-CABCVRRESA-N 2 0 318.425 0.290 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCCO)C2)CC1 ZINC001072095599 762352238 /nfs/dbraw/zinc/35/22/38/762352238.db2.gz LGPHEGWCHZHLCU-DOTOQJQBSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)COC)C[C@H]2C)CC1 ZINC001080997905 756417365 /nfs/dbraw/zinc/41/73/65/756417365.db2.gz OMSKGCVQXALTCU-HLLBOEOZSA-N 2 0 321.465 0.803 20 30 DCEDRP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@H]2C1 ZINC001083176401 757551713 /nfs/dbraw/zinc/55/17/13/757551713.db2.gz QQWMFHNFWSGHKR-LUKYLMHMSA-N 2 0 319.449 0.652 20 30 DCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC001050525941 757797019 /nfs/dbraw/zinc/79/70/19/757797019.db2.gz ORBHEMUWBXJCSK-HZPDHXFCSA-N 2 0 317.433 0.407 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084745128 758008785 /nfs/dbraw/zinc/00/87/85/758008785.db2.gz JSBYDFDEDRKQHD-NVXWUHKLSA-N 2 0 319.449 0.653 20 30 DCEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001090400749 758242329 /nfs/dbraw/zinc/24/23/29/758242329.db2.gz YCDOPGRLLBOOKW-HOTGVXAUSA-N 2 0 312.373 0.523 20 30 DCEDRP C=CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001051995373 759098019 /nfs/dbraw/zinc/09/80/19/759098019.db2.gz CJYMNXWJADLLBX-IRXDYDNUSA-N 2 0 320.481 0.875 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731772 759247070 /nfs/dbraw/zinc/24/70/70/759247070.db2.gz KFLHJRXJCUOJRR-NDUQDZPOSA-N 2 0 319.449 0.958 20 30 DCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001086152294 759771348 /nfs/dbraw/zinc/77/13/48/759771348.db2.gz AAYGSDSLKVUAEJ-LQCZDEPNSA-N 2 0 305.422 0.520 20 30 DCEDRP N#Cc1cc(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)ccc1F ZINC001147971230 767888995 /nfs/dbraw/zinc/88/89/95/767888995.db2.gz WYHSPADQWFGMBN-UHFFFAOYSA-N 2 0 316.380 0.999 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100124445 760437769 /nfs/dbraw/zinc/43/77/69/760437769.db2.gz IDTDMWYTOINXKR-HOTGVXAUSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CCOCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001148292888 767960585 /nfs/dbraw/zinc/96/05/85/767960585.db2.gz YXTWZAVXJPIAAT-HOTGVXAUSA-N 2 0 321.465 0.921 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001115298658 760678459 /nfs/dbraw/zinc/67/84/59/760678459.db2.gz VGJHDWIYSHEQTG-VQFNDLOPSA-N 2 0 319.449 0.559 20 30 DCEDRP C=CCOCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001148754521 768035899 /nfs/dbraw/zinc/03/58/99/768035899.db2.gz BCAGBISONRAGAA-UHFFFAOYSA-N 2 0 307.438 0.819 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCCN[C@H](C)c1nnc(CC)[nH]1 ZINC001129770460 763007411 /nfs/dbraw/zinc/00/74/11/763007411.db2.gz GKZMBTHGXSADHP-OLZOCXBDSA-N 2 0 318.425 0.232 20 30 DCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130669208 763425993 /nfs/dbraw/zinc/42/59/93/763425993.db2.gz ABKOONPOCHBUNX-GOEBONIOSA-N 2 0 317.437 0.279 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130698775 763443131 /nfs/dbraw/zinc/44/31/31/763443131.db2.gz SSTRVHINXKLNHR-GOEBONIOSA-N 2 0 317.437 0.279 20 30 DCEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001100522780 763632336 /nfs/dbraw/zinc/63/23/36/763632336.db2.gz GKXNRWRXHRWCJY-KUNBBXKYSA-N 2 0 317.433 0.357 20 30 DCEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519264 763842726 /nfs/dbraw/zinc/84/27/26/763842726.db2.gz BVECTRALDZDOCU-HCEZTOJASA-N 2 0 307.438 0.910 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001101037752 763932279 /nfs/dbraw/zinc/93/22/79/763932279.db2.gz VUBZERSCFDQQTF-WLYUNCDWSA-N 2 0 324.469 0.502 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102292448 764581440 /nfs/dbraw/zinc/58/14/40/764581440.db2.gz NOPIOUXNSGTDHD-HZPDHXFCSA-N 2 0 309.454 0.662 20 30 DCEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102581073 764712198 /nfs/dbraw/zinc/71/21/98/764712198.db2.gz YGEGLYRKHYXLAA-IXDOHACOSA-N 2 0 321.465 0.662 20 30 DCEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001134392138 765511723 /nfs/dbraw/zinc/51/17/23/765511723.db2.gz NJHZDFZMBUOUIB-HUUCEWRRSA-N 2 0 319.453 0.955 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC001137521318 765535651 /nfs/dbraw/zinc/53/56/51/765535651.db2.gz QRMQUYJKYBSUMN-HOTGVXAUSA-N 2 0 309.454 0.988 20 30 DCEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001134736662 765650631 /nfs/dbraw/zinc/65/06/31/765650631.db2.gz HXXCLVZLXKJPDH-LSDHHAIUSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001135474204 765939520 /nfs/dbraw/zinc/93/95/20/765939520.db2.gz JTVFXGVNKZBVHN-HUUCEWRRSA-N 2 0 324.469 0.197 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939115 766178506 /nfs/dbraw/zinc/17/85/06/766178506.db2.gz UNPDMRZYBGGVTE-GJZGRUSLSA-N 2 0 307.438 0.605 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC001090691974 766482097 /nfs/dbraw/zinc/48/20/97/766482097.db2.gz JEEJENAEHZHIEZ-DLBZAZTESA-N 2 0 321.465 0.682 20 30 DCEDRP C[NH+](C)CCOCC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001171205611 767004662 /nfs/dbraw/zinc/00/46/62/767004662.db2.gz UWEPALSJDCLKLJ-UHFFFAOYSA-N 2 0 318.421 0.732 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001147724893 767831868 /nfs/dbraw/zinc/83/18/68/767831868.db2.gz MUIWOVIVIMFSSA-UHFFFAOYSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149848676 768883409 /nfs/dbraw/zinc/88/34/09/768883409.db2.gz NEVYMTAOWQUXAW-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001150417951 769090642 /nfs/dbraw/zinc/09/06/42/769090642.db2.gz VBPZMPJKRDBFEH-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151361269 769320998 /nfs/dbraw/zinc/32/09/98/769320998.db2.gz CDGLUOBKXJNKGU-HNNXBMFYSA-N 2 0 322.453 0.096 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@H]2CCCCO2)CC1 ZINC001152330459 769529038 /nfs/dbraw/zinc/52/90/38/769529038.db2.gz NQFNHGSHCGRZHT-MRXNPFEDSA-N 2 0 307.438 0.607 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2snnc2C)CC1 ZINC001152330765 769529896 /nfs/dbraw/zinc/52/98/96/769529896.db2.gz UPPVQURFEDYKRV-UHFFFAOYSA-N 2 0 321.450 0.398 20 30 DCEDRP N#Cc1cccc(CCCN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235870141 769953484 /nfs/dbraw/zinc/95/34/84/769953484.db2.gz OAQMIAUXDQWXAT-UHFFFAOYSA-N 2 0 315.465 0.575 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176884377 770209304 /nfs/dbraw/zinc/20/93/04/770209304.db2.gz FAMDHYKJQQFAOL-HNNXBMFYSA-N 2 0 324.469 0.649 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001179337794 770996861 /nfs/dbraw/zinc/99/68/61/770996861.db2.gz XXTYYYBHBMLIBM-JYJNAYRXSA-N 2 0 307.438 0.700 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158202264 771740200 /nfs/dbraw/zinc/74/02/00/771740200.db2.gz KCYLFGUQBTTWTN-HIFRSBDPSA-N 2 0 322.453 0.115 20 30 DCEDRP C#CC[NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001158282461 771752235 /nfs/dbraw/zinc/75/22/35/771752235.db2.gz RVRGLFQKAWLHHO-CVEARBPZSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)Cn2cnc3c2CCCC3)C1 ZINC001184331146 771776655 /nfs/dbraw/zinc/77/66/55/771776655.db2.gz IYMZEJVJJFUDFD-CQSZACIVSA-N 2 0 300.406 0.976 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001184807163 771823851 /nfs/dbraw/zinc/82/38/51/771823851.db2.gz WYACMFJXZTZGSI-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001159356175 771900647 /nfs/dbraw/zinc/90/06/47/771900647.db2.gz UQYZOFKZFIDNFD-HUUCEWRRSA-N 2 0 324.469 0.647 20 30 DCEDRP C#C[C@](C)([NH3+])C(=O)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001159480669 771916465 /nfs/dbraw/zinc/91/64/65/771916465.db2.gz AWAPPTQDTLAWGW-BPQIPLTHSA-N 2 0 319.449 0.544 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001185715876 771948638 /nfs/dbraw/zinc/94/86/38/771948638.db2.gz KUTCZGDXUNUMEA-MJBXVCDLSA-N 2 0 310.442 0.208 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001160274945 772017825 /nfs/dbraw/zinc/01/78/25/772017825.db2.gz XTDQADWHTYGOPB-CABCVRRESA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)C[NH+](CC)CC)C2)C1=O ZINC001186489223 772045769 /nfs/dbraw/zinc/04/57/69/772045769.db2.gz XZEGLFQABAOFTN-CABCVRRESA-N 2 0 322.453 0.306 20 30 DCEDRP C=CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161536514 772240965 /nfs/dbraw/zinc/24/09/65/772240965.db2.gz FILOEDANUWXAKQ-KGLIPLIRSA-N 2 0 324.425 0.217 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001161649625 772259726 /nfs/dbraw/zinc/25/97/26/772259726.db2.gz PITVRSYRSHMBHG-MRXNPFEDSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]C[C@@H](CC)OC)C2)CC1 ZINC001188090284 772264540 /nfs/dbraw/zinc/26/45/40/772264540.db2.gz FBPAHMCUJSBWAL-IAGOWNOFSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001166814633 772863372 /nfs/dbraw/zinc/86/33/72/772863372.db2.gz MJPOMRNDICUIEU-HNNXBMFYSA-N 2 0 307.438 0.605 20 30 DCEDRP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)COCC[NH+](C)C)C12CCC2 ZINC001203615185 772916089 /nfs/dbraw/zinc/91/60/89/772916089.db2.gz NVTCQIVBIGNOSA-HUUCEWRRSA-N 2 0 307.438 0.605 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]C[C@H](C)OC)CC2)CC1 ZINC001203869731 772927885 /nfs/dbraw/zinc/92/78/85/772927885.db2.gz OFRVOUUWPZWSJY-HNNXBMFYSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001204799005 772962556 /nfs/dbraw/zinc/96/25/56/772962556.db2.gz QHSHMWKWQSVWIV-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001205345594 772988129 /nfs/dbraw/zinc/98/81/29/772988129.db2.gz RYNICBLRCSFSRD-HOTGVXAUSA-N 2 0 305.422 0.311 20 30 DCEDRP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193500261 773069537 /nfs/dbraw/zinc/06/95/37/773069537.db2.gz REHXVKKZRDOHRZ-HNNXBMFYSA-N 2 0 307.438 0.818 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001206927811 773136686 /nfs/dbraw/zinc/13/66/86/773136686.db2.gz RIUQNALWVIBLHK-OAHLLOKOSA-N 2 0 322.453 0.069 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001208423741 773457806 /nfs/dbraw/zinc/45/78/06/773457806.db2.gz OJWIQFZFJNSMFP-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208447964 773464644 /nfs/dbraw/zinc/46/46/44/773464644.db2.gz RVTQYLKMCWODSK-CQSZACIVSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001196184741 773554193 /nfs/dbraw/zinc/55/41/93/773554193.db2.gz HMBMRSKNWJNOAU-HUUCEWRRSA-N 2 0 309.454 0.846 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209447412 773605901 /nfs/dbraw/zinc/60/59/01/773605901.db2.gz ZZEFMQKHXVAPAO-KBPBESRZSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210782896 773736260 /nfs/dbraw/zinc/73/62/60/773736260.db2.gz PQCSQUJWABHBTL-AWEZNQCLSA-N 2 0 310.442 0.211 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211089967 773768798 /nfs/dbraw/zinc/76/87/98/773768798.db2.gz DIPJAHFSYNMLAZ-HUUCEWRRSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCOCC[NH2+]C1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC001199942929 774226713 /nfs/dbraw/zinc/22/67/13/774226713.db2.gz BJLNCPMVPSSCIR-OAHLLOKOSA-N 2 0 311.426 0.100 20 30 DCEDRP N#Cc1c(NC(=O)[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)sc2c1CC[NH2+]C2 ZINC001218555305 774245578 /nfs/dbraw/zinc/24/55/78/774245578.db2.gz ZQZHHPOVJOQGNU-DMDPSCGWSA-N 2 0 318.402 0.581 20 30 DCEDRP C#CCC[NH2+]C1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001200629346 774380465 /nfs/dbraw/zinc/38/04/65/774380465.db2.gz YSJVYGTUTVXMSG-UHFFFAOYSA-N 2 0 317.437 0.662 20 30 DCEDRP CNC(=O)c1cc(C#N)cc(C)c1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219162050 774395440 /nfs/dbraw/zinc/39/54/40/774395440.db2.gz TWDPSAZGFSRZCT-ZDUSSCGKSA-N 2 0 317.393 0.621 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CCCO1 ZINC001200894382 774419260 /nfs/dbraw/zinc/41/92/60/774419260.db2.gz LDSFZMVXSNKHHQ-INIZCTEOSA-N 2 0 312.373 0.788 20 30 DCEDRP N#Cc1ccc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c(C#N)c1 ZINC001219393498 774476130 /nfs/dbraw/zinc/47/61/30/774476130.db2.gz NNOZVYVYMIFXQI-CQSZACIVSA-N 2 0 312.377 0.119 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCCO1 ZINC001201343671 774496746 /nfs/dbraw/zinc/49/67/46/774496746.db2.gz KCTCZFVQFZFXKM-HZPDHXFCSA-N 2 0 309.454 0.803 20 30 DCEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078569 774689814 /nfs/dbraw/zinc/68/98/14/774689814.db2.gz VIFIEENVVSKMKU-CABCVRRESA-N 2 0 309.454 0.988 20 30 DCEDRP N#CC1(NC(=O)CNCC[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001220646371 774875458 /nfs/dbraw/zinc/87/54/58/774875458.db2.gz VAECOUAWEPNUNW-UHFFFAOYSA-N 2 0 315.421 0.209 20 30 DCEDRP C#CCCN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091082 774993252 /nfs/dbraw/zinc/99/32/52/774993252.db2.gz AYFIXQFINHUDLY-PMPSAXMXSA-N 2 0 307.438 0.291 20 30 DCEDRP COCC#CC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001223466184 775492688 /nfs/dbraw/zinc/49/26/88/775492688.db2.gz OFPLFIAENNFGHA-QGZVFWFLSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001226608456 775845040 /nfs/dbraw/zinc/84/50/40/775845040.db2.gz IIJRAEUWSADTCM-HIFRSBDPSA-N 2 0 322.453 0.352 20 30 DCEDRP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111407904 775845723 /nfs/dbraw/zinc/84/57/23/775845723.db2.gz ZCNHDRVUUVSJBS-FPCVCCKLSA-N 2 0 307.438 0.862 20 30 DCEDRP COCC#CC[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001227816214 776010460 /nfs/dbraw/zinc/01/04/60/776010460.db2.gz BZXPAKPQZCIHFE-MRXNPFEDSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317655270 945148606 /nfs/dbraw/zinc/14/86/06/945148606.db2.gz PAEAVNQSQSRHAB-KBPBESRZSA-N 2 0 310.442 0.067 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001272993992 945176787 /nfs/dbraw/zinc/17/67/87/945176787.db2.gz TXUCGRUCHNRWKI-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCN1CC[NH+](CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001266272292 939038830 /nfs/dbraw/zinc/03/88/30/939038830.db2.gz ZAAQVNPHTQNXSX-MRXNPFEDSA-N 2 0 310.486 0.883 20 30 DCEDRP C=CCNC(=O)[C@H](C)N(CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001266413286 939110710 /nfs/dbraw/zinc/11/07/10/939110710.db2.gz LMPWLNNWUSOGEW-AWEZNQCLSA-N 2 0 324.469 0.457 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH2+]CCO)C2)CC1 ZINC001266823941 939246035 /nfs/dbraw/zinc/24/60/35/939246035.db2.gz XNMMFMARMIEUEI-HNNXBMFYSA-N 2 0 307.438 0.152 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)C2CC[NH+](C)CC2)C1=O ZINC001267422590 939453433 /nfs/dbraw/zinc/45/34/33/939453433.db2.gz NJUHHEPCQGXVPP-OAHLLOKOSA-N 2 0 322.453 0.163 20 30 DCEDRP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267657717 939615799 /nfs/dbraw/zinc/61/57/99/939615799.db2.gz CTBZDTBLMDLYQR-LSDHHAIUSA-N 2 0 324.469 0.409 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2cnc(C)o2)CC1 ZINC001481319503 939746245 /nfs/dbraw/zinc/74/62/45/939746245.db2.gz GVXJBOADXJPGDQ-UHFFFAOYSA-N 2 0 318.421 0.876 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001278405489 945284063 /nfs/dbraw/zinc/28/40/63/945284063.db2.gz WSAMTZGUCYNKRE-ZBFHGGJFSA-N 2 0 317.437 0.661 20 30 DCEDRP COCC#CCN1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001268215577 939993909 /nfs/dbraw/zinc/99/39/09/939993909.db2.gz PPUZYIZDUMERNO-ULQDDVLXSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268450676 940127301 /nfs/dbraw/zinc/12/73/01/940127301.db2.gz PTBKGVPVKCUZJV-HNNXBMFYSA-N 2 0 322.453 0.069 20 30 DCEDRP CCN(CC[NH2+]CC#CCOC)C(=O)C12CCC[NH+](CCC1)C2 ZINC001268458497 940147291 /nfs/dbraw/zinc/14/72/91/940147291.db2.gz NITFRZRHRROXLM-UHFFFAOYSA-N 2 0 321.465 0.950 20 30 DCEDRP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001482026632 940209968 /nfs/dbraw/zinc/20/99/68/940209968.db2.gz YOWSERNDWAIZGH-BRWVUGGUSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1=O ZINC001268660996 940321804 /nfs/dbraw/zinc/32/18/04/940321804.db2.gz DTOATIIIOFPEDT-QLFBSQMISA-N 2 0 324.469 0.454 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+][C@@H](CC)C(N)=O)CC1 ZINC001269514699 940722927 /nfs/dbraw/zinc/72/29/27/940722927.db2.gz AJFGMVAOLHTNRZ-GJZGRUSLSA-N 2 0 322.453 0.080 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]Cc2cnon2)CC1 ZINC001270604491 940934276 /nfs/dbraw/zinc/93/42/76/940934276.db2.gz QLTDVFHMJXPAQF-CYBMUJFWSA-N 2 0 319.409 0.257 20 30 DCEDRP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001271154110 941293261 /nfs/dbraw/zinc/29/32/61/941293261.db2.gz YKXQGEAPROPFFZ-DOTOQJQBSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001482476358 941307397 /nfs/dbraw/zinc/30/73/97/941307397.db2.gz RYUXDBKDXLJODM-LSDHHAIUSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001482476356 941307693 /nfs/dbraw/zinc/30/76/93/941307693.db2.gz RYUXDBKDXLJODM-GJZGRUSLSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCCC[NH+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001271209168 941322925 /nfs/dbraw/zinc/32/29/25/941322925.db2.gz MDWLIZWWWCPICA-RDJZCZTQSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CCC[N@H+]1CC[C@](O)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001271228309 941329267 /nfs/dbraw/zinc/32/92/67/941329267.db2.gz KVTQUZMTUHEZDK-SFHVURJKSA-N 2 0 321.465 0.829 20 30 DCEDRP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001271964834 941493834 /nfs/dbraw/zinc/49/38/34/941493834.db2.gz GGPCXFGUGSKDQE-WMLDXEAASA-N 2 0 318.421 0.575 20 30 DCEDRP C=C(C)C[N@H+]1CCC[C@@](CO)(NC(=O)CCc2nccn2C)C1 ZINC001271973841 941496786 /nfs/dbraw/zinc/49/67/86/941496786.db2.gz NJQDSAAEOUTXBQ-QGZVFWFLSA-N 2 0 320.437 0.872 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001272034317 941537540 /nfs/dbraw/zinc/53/75/40/941537540.db2.gz NUTICHVGLCNYBF-GJZGRUSLSA-N 2 0 322.453 0.306 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483259767 942215357 /nfs/dbraw/zinc/21/53/57/942215357.db2.gz NPKNXPSTMISHDY-XQLPTFJDSA-N 2 0 324.469 0.502 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CC[C@]2(CC[NH+](CC#CCOC)C2)C1 ZINC001483848459 942975317 /nfs/dbraw/zinc/97/53/17/942975317.db2.gz UQVXLYJLQBSRNH-SFHVURJKSA-N 2 0 321.465 0.902 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001483933672 943034927 /nfs/dbraw/zinc/03/49/27/943034927.db2.gz FILKFRRHFHUAIW-HOCLYGCPSA-N 2 0 324.469 0.455 20 30 DCEDRP C#CCN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](CC#C)CC1 ZINC001483987006 943071843 /nfs/dbraw/zinc/07/18/43/943071843.db2.gz ZKCFFJBGSSCXLK-UHFFFAOYSA-N 2 0 301.434 0.888 20 30 DCEDRP C#CCC[NH2+]C1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001484423772 943369934 /nfs/dbraw/zinc/36/99/34/943369934.db2.gz UESLDHSFPARLFO-OAHLLOKOSA-N 2 0 306.454 0.132 20 30 DCEDRP C=CC[NH+]1CCC[C@](CO)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001484437241 943382300 /nfs/dbraw/zinc/38/23/00/943382300.db2.gz DWYFKNSUWAVOPW-RDJZCZTQSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001484548297 943447719 /nfs/dbraw/zinc/44/77/19/943447719.db2.gz BLMRYSBYIWRWSC-CVEARBPZSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CCNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC001484725928 943535383 /nfs/dbraw/zinc/53/53/83/943535383.db2.gz GYVRUFLUMZRQQK-HNNXBMFYSA-N 2 0 322.453 0.048 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)CC[N@@H+](C)CC)CCO2 ZINC001485008377 943652612 /nfs/dbraw/zinc/65/26/12/943652612.db2.gz WQXFSYZNCYFXST-UHFFFAOYSA-N 2 0 307.438 0.655 20 30 DCEDRP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001491022905 943715005 /nfs/dbraw/zinc/71/50/05/943715005.db2.gz ISWMSHFXOBMJLC-ZNMIVQPWSA-N 2 0 313.417 0.553 20 30 DCEDRP COCC#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485304189 943829872 /nfs/dbraw/zinc/82/98/72/943829872.db2.gz UJUXEMLCOYVZPA-GDBMZVCRSA-N 2 0 307.438 0.415 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485304190 943831101 /nfs/dbraw/zinc/83/11/01/943831101.db2.gz UJUXEMLCOYVZPA-GOEBONIOSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CCN1C[C@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001272887785 944300750 /nfs/dbraw/zinc/30/07/50/944300750.db2.gz KAWLTRWBLYFZSD-QGZVFWFLSA-N 2 0 305.422 0.265 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001317135898 944817520 /nfs/dbraw/zinc/81/75/20/944817520.db2.gz TZUIOTSNVIWMGL-CABCVRRESA-N 2 0 324.469 0.457 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CN(CC)CCO1 ZINC001317198278 944846515 /nfs/dbraw/zinc/84/65/15/944846515.db2.gz FAXKXRCROQWRQR-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001486476925 944912608 /nfs/dbraw/zinc/91/26/08/944912608.db2.gz TUKYJGNCDWKVKA-WLYUNCDWSA-N 2 0 322.453 0.209 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001317379952 944946749 /nfs/dbraw/zinc/94/67/49/944946749.db2.gz VNEJEGSPDQVSHI-MRXNPFEDSA-N 2 0 309.454 0.901 20 30 DCEDRP CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC#CCOC)C1)[NH+](C)C ZINC001317382728 944948119 /nfs/dbraw/zinc/94/81/19/944948119.db2.gz GWTZMCSGWDCVJQ-CVEARBPZSA-N 2 0 309.454 0.899 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+][C@@H](CC)C(N)=O)CC1 ZINC001317415311 944959410 /nfs/dbraw/zinc/95/94/10/944959410.db2.gz JNSISJACTFNAHX-HIFRSBDPSA-N 2 0 322.453 0.080 20 30 DCEDRP N#CC1(NC(=O)[C@H]2CC23C[NH+](CC2CC[NH2+]CC2)C3)CCC1 ZINC001277821722 944994845 /nfs/dbraw/zinc/99/48/45/944994845.db2.gz MORWKBQODHHVHI-CQSZACIVSA-N 2 0 302.422 0.870 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001318525529 945394643 /nfs/dbraw/zinc/39/46/43/945394643.db2.gz XQXSUMWCCHAQRZ-LSDHHAIUSA-N 2 0 322.453 0.093 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]C[C@H]2CCOC2)CC1 ZINC001319285610 945540654 /nfs/dbraw/zinc/54/06/54/945540654.db2.gz NHKBOPRYRKEVSD-HZPDHXFCSA-N 2 0 321.465 0.710 20 30 DCEDRP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001320272865 945798817 /nfs/dbraw/zinc/79/88/17/945798817.db2.gz JTBKSSDTHKUXKJ-CJNGLKHVSA-N 2 0 315.433 0.842 20 30 DCEDRP C#CCOC[C@@H](O)C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC001251896995 945812207 /nfs/dbraw/zinc/81/22/07/945812207.db2.gz RPESUKWCDIZDED-SFHVURJKSA-N 2 0 317.433 0.894 20 30 DCEDRP CCN(CC[NH2+]CC#CCOC)C(=O)C[NH+]1CCC(C)CC1 ZINC001320876575 946051594 /nfs/dbraw/zinc/05/15/94/946051594.db2.gz OIVRWMDCNXUPRC-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCOCC1 ZINC001278711083 946107304 /nfs/dbraw/zinc/10/73/04/946107304.db2.gz KGCNWOZILNYOOZ-UHFFFAOYSA-N 2 0 319.449 0.751 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+]C[C@H](C)OC)CC1 ZINC001321418184 946324034 /nfs/dbraw/zinc/32/40/34/946324034.db2.gz XTGZBMQLJXBUFI-NFAHFFEMSA-N 2 0 307.438 0.629 20 30 DCEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001278797709 946414629 /nfs/dbraw/zinc/41/46/29/946414629.db2.gz LGZJSWSUPUZTQF-IRXDYDNUSA-N 2 0 321.465 0.826 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CCO1 ZINC001273277672 946414783 /nfs/dbraw/zinc/41/47/83/946414783.db2.gz WWFNXVZRNMEZKL-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+][C@H](C)COC)CC2)CC1 ZINC001323616078 947145831 /nfs/dbraw/zinc/14/58/31/947145831.db2.gz HBSNQVYNRWBDHR-CQSZACIVSA-N 2 0 307.438 0.605 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001411059433 947286040 /nfs/dbraw/zinc/28/60/40/947286040.db2.gz MFLYZNTXDQFYQP-CHWSQXEVSA-N 2 0 303.834 0.632 20 30 DCEDRP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCOCC)CC1 ZINC001324439057 947426092 /nfs/dbraw/zinc/42/60/92/947426092.db2.gz FMKFDNJZXWALRV-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCCO)CC1 ZINC001324432434 947426212 /nfs/dbraw/zinc/42/62/12/947426212.db2.gz VHVRXRRZMCXUGB-MRXNPFEDSA-N 2 0 321.465 0.637 20 30 DCEDRP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001324777329 947528571 /nfs/dbraw/zinc/52/85/71/947528571.db2.gz UXVANACSTORNAY-QGZVFWFLSA-N 2 0 309.454 0.806 20 30 DCEDRP C=CCCC[N@H+]1CC[C@](O)(CNC(=O)CCc2c[nH]cn2)C1 ZINC001325102978 947656117 /nfs/dbraw/zinc/65/61/17/947656117.db2.gz WLWNEILOQKJECD-INIZCTEOSA-N 2 0 306.410 0.862 20 30 DCEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC001262554204 947726178 /nfs/dbraw/zinc/72/61/78/947726178.db2.gz WAMUHOXXSSXOMR-CQSZACIVSA-N 2 0 312.458 0.612 20 30 DCEDRP C=C(Cl)C[NH2+]CCN(CC)C(=O)CCN1CCOCC1 ZINC001273660088 948009805 /nfs/dbraw/zinc/00/98/05/948009805.db2.gz DMIYXGHOAKBCBP-UHFFFAOYSA-N 2 0 303.834 0.899 20 30 DCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)CCO1 ZINC001326988134 948353331 /nfs/dbraw/zinc/35/33/31/948353331.db2.gz KRTYXVNZNTVLKV-KBPBESRZSA-N 2 0 301.406 0.669 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CCO1 ZINC001327048673 948379433 /nfs/dbraw/zinc/37/94/33/948379433.db2.gz MRPLUCJEFFEFSC-INIZCTEOSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001327148940 948406949 /nfs/dbraw/zinc/40/69/49/948406949.db2.gz WORBHDDHNLLAJA-AWEZNQCLSA-N 2 0 310.442 0.211 20 30 DCEDRP CC#CC[NH2+]CC1(NC(=O)C[N@H+](C)C2CCC2)CCOCC1 ZINC001327638346 948580993 /nfs/dbraw/zinc/58/09/93/948580993.db2.gz HQKKNLURJMHNSI-UHFFFAOYSA-N 2 0 307.438 0.749 20 30 DCEDRP COCC#CC[NH2+]C1(C)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001328039708 948696047 /nfs/dbraw/zinc/69/60/47/948696047.db2.gz ULYHDAKDIMQASQ-UHFFFAOYSA-N 2 0 319.449 0.703 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001328197987 948740111 /nfs/dbraw/zinc/74/01/11/948740111.db2.gz HDXZPOJMZFSMSZ-HNNXBMFYSA-N 2 0 309.454 0.683 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001264430585 948974613 /nfs/dbraw/zinc/97/46/13/948974613.db2.gz GRGCLJIONXMRRJ-CTYIDZIISA-N 2 0 322.453 0.115 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001264473341 948985043 /nfs/dbraw/zinc/98/50/43/948985043.db2.gz GCHHOGGHLAXLDS-ARFHVFGLSA-N 2 0 307.438 0.605 20 30 DCEDRP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001264635095 949038791 /nfs/dbraw/zinc/03/87/91/949038791.db2.gz WNTRHGRTONAPHS-MRXNPFEDSA-N 2 0 309.454 0.637 20 30 DCEDRP CC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001264634145 949042976 /nfs/dbraw/zinc/04/29/76/949042976.db2.gz KHHFXVSGSMNDSD-SJORKVTESA-N 2 0 321.465 0.637 20 30 DCEDRP C=CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001488683517 949064197 /nfs/dbraw/zinc/06/41/97/949064197.db2.gz IKYGSBHREGVWLY-HNNXBMFYSA-N 2 0 307.438 0.818 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001488770617 949165450 /nfs/dbraw/zinc/16/54/50/949165450.db2.gz BXAFBMMHTVTUFJ-KFWWJZLASA-N 2 0 322.453 0.115 20 30 DCEDRP CC#CC[NH2+]CC1CC(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001328926783 949200125 /nfs/dbraw/zinc/20/01/25/949200125.db2.gz BGMIOGRFROTDAM-UHFFFAOYSA-N 2 0 317.437 0.566 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001488876586 949341525 /nfs/dbraw/zinc/34/15/25/949341525.db2.gz RDIBEPKDSLVIFF-BQFCYCMXSA-N 2 0 319.449 0.607 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001488880127 949345773 /nfs/dbraw/zinc/34/57/73/949345773.db2.gz MLQPYAHHGYRDMS-QBPKDAKJSA-N 2 0 321.465 0.993 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1OCC ZINC001489022119 949441006 /nfs/dbraw/zinc/44/10/06/949441006.db2.gz DFIDKIKHIJBGFC-BZUAXINKSA-N 2 0 307.438 0.415 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCN2CC[NH+](CCC)CC2)CC1 ZINC001265266719 949519474 /nfs/dbraw/zinc/51/94/74/949519474.db2.gz YNGMSTNHWDSRCD-UHFFFAOYSA-N 2 0 320.481 0.475 20 30 DCEDRP COCC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001265323224 949607868 /nfs/dbraw/zinc/60/78/68/949607868.db2.gz FZCLUQLYORHUCI-HOTGVXAUSA-N 2 0 319.449 0.701 20 30 DCEDRP CC#CC[NH2+][C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)C1CC1 ZINC001265374845 949638572 /nfs/dbraw/zinc/63/85/72/949638572.db2.gz VTYROUQHBAVFNG-MRXNPFEDSA-N 2 0 317.437 0.566 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001265544304 949757283 /nfs/dbraw/zinc/75/72/83/949757283.db2.gz HFWBCCNXPNQAPU-TWMKSMIVSA-N 2 0 319.449 0.890 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001265623936 949826154 /nfs/dbraw/zinc/82/61/54/949826154.db2.gz HGBJQUUQXLTLRA-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001265681507 949869981 /nfs/dbraw/zinc/86/99/81/949869981.db2.gz BILWFNBRZGGGIP-GJZGRUSLSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001265725754 949905781 /nfs/dbraw/zinc/90/57/81/949905781.db2.gz JMMAMZMMVISLPG-QMIVOQANSA-N 2 0 322.453 0.064 20 30 DCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001330640275 950565559 /nfs/dbraw/zinc/56/55/59/950565559.db2.gz DPHDRJFAWVKLTI-DCAQKATOSA-N 2 0 306.332 0.993 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001490466910 950707120 /nfs/dbraw/zinc/70/71/20/950707120.db2.gz LXFWGPAAEGVGJV-KRWDZBQOSA-N 2 0 320.481 0.616 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001490476044 950723022 /nfs/dbraw/zinc/72/30/22/950723022.db2.gz ZGWCCVXNYDEVDR-INIZCTEOSA-N 2 0 306.454 0.085 20 30 DCEDRP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001330956424 950789428 /nfs/dbraw/zinc/78/94/28/950789428.db2.gz YIOGHSGUPNHGBI-HZPDHXFCSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CC[NH+]1CCN(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001490517020 950841595 /nfs/dbraw/zinc/84/15/95/950841595.db2.gz VRUGXBDXIUVQLU-IYBDPMFKSA-N 2 0 308.470 0.779 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001331156325 950971363 /nfs/dbraw/zinc/97/13/63/950971363.db2.gz VSHPQPRMRPJCKV-OCCSQVGLSA-N 2 0 308.426 0.139 20 30 DCEDRP C#CC[NH2+][C@H](CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC001331225259 951026614 /nfs/dbraw/zinc/02/66/14/951026614.db2.gz DPZOIZHZGGECQZ-JKSUJKDBSA-N 2 0 309.454 0.708 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001280770699 951078964 /nfs/dbraw/zinc/07/89/64/951078964.db2.gz VWCHWMIOVZZGCD-INIZCTEOSA-N 2 0 319.449 0.703 20 30 DCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001281194269 951362937 /nfs/dbraw/zinc/36/29/37/951362937.db2.gz XQJGRWNHMOMQKJ-KRWDZBQOSA-N 2 0 309.454 0.992 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)C[NH+]2CCC(C)CC2)CCOCC1 ZINC001281281011 951432752 /nfs/dbraw/zinc/43/27/52/951432752.db2.gz ZJTCLESUKICCFN-UHFFFAOYSA-N 2 0 307.438 0.607 20 30 DCEDRP C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001274134196 951441001 /nfs/dbraw/zinc/44/10/01/951441001.db2.gz QELYZWXILRZILG-VBROQKIQSA-N 2 0 308.426 0.035 20 30 DCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC001274197362 951477522 /nfs/dbraw/zinc/47/75/22/951477522.db2.gz GVOWNJBKOUKOQS-GOEBONIOSA-N 2 0 317.437 0.518 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC#CCOC)C(C)(C)C1 ZINC001332437877 951644487 /nfs/dbraw/zinc/64/44/87/951644487.db2.gz OAPKISXGUYQPOV-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001275502769 952205852 /nfs/dbraw/zinc/20/58/52/952205852.db2.gz NYGVCAZTJVNIJU-KGLIPLIRSA-N 2 0 324.469 0.503 20 30 DCEDRP C=CC[C@]1(C(=O)N=c2nc(C3CC[NH2+]CC3)[nH]n2C)CCC[NH2+]1 ZINC001341807431 953251006 /nfs/dbraw/zinc/25/10/06/953251006.db2.gz GKJJWIAOEXIJTA-MRXNPFEDSA-N 2 0 318.425 0.341 20 30 DCEDRP COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001345753883 953715109 /nfs/dbraw/zinc/71/51/09/953715109.db2.gz OCIFGMJLFDMVGQ-AWEZNQCLSA-N 2 0 324.425 0.399 20 30 DCEDRP C#CC[NH2+]CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OCC)cc1 ZINC001354272494 956331993 /nfs/dbraw/zinc/33/19/93/956331993.db2.gz JTTRZPRUQLRLLB-IRXDYDNUSA-N 2 0 315.417 0.870 20 30 DCEDRP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(C#N)cc1)[NH+](C)C ZINC001367625544 958209337 /nfs/dbraw/zinc/20/93/37/958209337.db2.gz SWSCPQHMUSEWBA-HZPDHXFCSA-N 2 0 318.421 0.465 20 30 DCEDRP C[NH+](C)CCCN(CCC#N)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001362077257 958699661 /nfs/dbraw/zinc/69/96/61/958699661.db2.gz JOLCXHRZIUBHLM-HUUCEWRRSA-N 2 0 310.442 0.526 20 30 DCEDRP C=C(Br)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001491675284 959117272 /nfs/dbraw/zinc/11/72/72/959117272.db2.gz ZAVJYBDXHROFCG-WDEREUQCSA-N 2 0 304.232 0.941 20 30 DCEDRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC#CCOC ZINC001316740402 960128469 /nfs/dbraw/zinc/12/84/69/960128469.db2.gz IUKULVFZYLHRCF-OWCLPIDISA-N 2 0 307.438 0.557 20 30 DCEDRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC#CC[NH+](C)C ZINC001313439956 960304942 /nfs/dbraw/zinc/30/49/42/960304942.db2.gz ZADNNBFHECJJOZ-CQSZACIVSA-N 2 0 310.442 0.038 20 30 DCEDRP CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001379428490 962901491 /nfs/dbraw/zinc/90/14/91/962901491.db2.gz AOLKIAJOASGPCC-HZPDHXFCSA-N 2 0 318.421 0.465 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)C1=O ZINC001507117809 1015999017 /nfs/dbraw/zinc/99/90/17/1015999017.db2.gz JAYJACSSQUGPFG-KBPBESRZSA-N 2 0 310.442 0.162 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001507155036 1016039094 /nfs/dbraw/zinc/03/90/94/1016039094.db2.gz PXLAEUDCDMZNCY-ZIAGYGMSSA-N 2 0 310.442 0.209 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001505412152 1016218851 /nfs/dbraw/zinc/21/88/51/1016218851.db2.gz RNWKBUHLSOUJPY-INIZCTEOSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001507321067 1016250905 /nfs/dbraw/zinc/25/09/05/1016250905.db2.gz PEDDZNCHVPOROB-HUUCEWRRSA-N 2 0 307.438 0.557 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001507452206 1016336085 /nfs/dbraw/zinc/33/60/85/1016336085.db2.gz ITMLFNRHODMGKS-LSDHHAIUSA-N 2 0 307.438 0.415 20 30 DCEDRP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001505606967 1016351098 /nfs/dbraw/zinc/35/10/98/1016351098.db2.gz YNYWSUDSGLBTCF-KGLIPLIRSA-N 2 0 305.426 0.564 20 30 DCEDRP C=C(Cl)CN1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001402287891 1001179240 /nfs/dbraw/zinc/17/92/40/1001179240.db2.gz KKHYWOMBGXUOMH-OCCSQVGLSA-N 2 0 301.818 0.244 20 30 DCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC001406246500 1003522958 /nfs/dbraw/zinc/52/29/58/1003522958.db2.gz AWJNSSYIIFTWII-JKSUJKDBSA-N 2 0 316.405 0.219 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001479319095 1017495226 /nfs/dbraw/zinc/49/52/26/1017495226.db2.gz DHKBYTLPZBELLC-ZNMIVQPWSA-N 2 0 322.453 0.209 20 30 DCEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1OCC ZINC001479547390 1017579900 /nfs/dbraw/zinc/57/99/00/1017579900.db2.gz SMHUQQBUVXSHJE-BZUAXINKSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CCO1 ZINC001506847945 1017610437 /nfs/dbraw/zinc/61/04/37/1017610437.db2.gz TXSSZNNCZJFIQS-DOTOQJQBSA-N 2 0 321.465 0.946 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1cnc[nH]1 ZINC001479738104 1017682155 /nfs/dbraw/zinc/68/21/55/1017682155.db2.gz WHBDGVNYHVGNIR-INIZCTEOSA-N 2 0 318.421 0.915 20 30 DCEDRP C=CCCC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001479928267 1017987402 /nfs/dbraw/zinc/98/74/02/1017987402.db2.gz KCEISHOBWBTKHS-INIZCTEOSA-N 2 0 308.470 0.781 20 30 DCEDRP COCC#CC[NH+]1CCC2(C[C@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001479988332 1018094178 /nfs/dbraw/zinc/09/41/78/1018094178.db2.gz OQURSIQZSSJLJT-MRXNPFEDSA-N 2 0 319.449 0.703 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001499926857 1018139129 /nfs/dbraw/zinc/13/91/29/1018139129.db2.gz UIVIUVFTMGNXQL-CABCVRRESA-N 2 0 322.453 0.211 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]C[C@H](C)OC)C2CC2)CC1 ZINC001480067228 1018178400 /nfs/dbraw/zinc/17/84/00/1018178400.db2.gz YHNINIIHATWYSX-WMLDXEAASA-N 2 0 321.465 0.851 20 30 DCEDRP COCC#CC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001495297972 1018451874 /nfs/dbraw/zinc/45/18/74/1018451874.db2.gz HJSXPISMNLUHKM-YOEHRIQHSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001480368452 1018469461 /nfs/dbraw/zinc/46/94/61/1018469461.db2.gz XEJRDEMKVLMCHE-OAHLLOKOSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CCOCC1 ZINC001500581733 1018500783 /nfs/dbraw/zinc/50/07/83/1018500783.db2.gz FXEGOHSTEAQCJQ-INIZCTEOSA-N 2 0 321.465 0.997 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001500594498 1018505998 /nfs/dbraw/zinc/50/59/98/1018505998.db2.gz RKGZSCQUCBQJDZ-HNNXBMFYSA-N 2 0 307.438 0.607 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001480671293 1018761319 /nfs/dbraw/zinc/76/13/19/1018761319.db2.gz NKAQFEMLJQMIQC-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001480733700 1018836539 /nfs/dbraw/zinc/83/65/39/1018836539.db2.gz RGTQTJPIMWKDMM-INIZCTEOSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001480770171 1018887805 /nfs/dbraw/zinc/88/78/05/1018887805.db2.gz PIAFHNRUINDWDO-KGLIPLIRSA-N 2 0 322.453 0.093 20 30 DCEDRP C#CCC[NH+]1CCC[C@](CO)(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001501359476 1019090935 /nfs/dbraw/zinc/09/09/35/1019090935.db2.gz DHKKBCHXLTWBEA-KRWDZBQOSA-N 2 0 309.454 0.685 20 30 DCEDRP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001501647649 1019354614 /nfs/dbraw/zinc/35/46/14/1019354614.db2.gz MZMGVGRFBWCXOY-INIZCTEOSA-N 2 0 307.438 0.560 20 30 DCEDRP C=CCC[NH+]1CCN(CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001494108484 1019987621 /nfs/dbraw/zinc/98/76/21/1019987621.db2.gz PUEOBMNZOQVDID-INIZCTEOSA-N 2 0 308.470 0.590 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000491264402 533103588 /nfs/dbraw/zinc/10/35/88/533103588.db2.gz GMRHEFGRDDTJOB-MRXNPFEDSA-N 2 0 322.453 0.305 20 30 DCEDRP COc1ccc(CCNC(=[NH2+])NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000267463538 533477445 /nfs/dbraw/zinc/47/74/45/533477445.db2.gz VTHINBAVDWAQGC-OAHLLOKOSA-N 2 0 319.453 0.388 20 30 DCEDRP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000329441135 396844592 /nfs/dbraw/zinc/84/45/92/396844592.db2.gz KXVVEFBGSOGSQW-HUUCEWRRSA-N 2 0 311.474 0.610 20 30 DCEDRP C[C@@H]([NH3+])CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000591361250 396909078 /nfs/dbraw/zinc/90/90/78/396909078.db2.gz OLBUIRVVFFDNSV-CYBMUJFWSA-N 2 0 303.410 0.979 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000458317216 397429365 /nfs/dbraw/zinc/42/93/65/397429365.db2.gz BIXFUMRXZWUGPL-INIZCTEOSA-N 2 0 324.469 0.783 20 30 DCEDRP CCN(CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N)C1CC1 ZINC000134090496 287015003 /nfs/dbraw/zinc/01/50/03/287015003.db2.gz DWNNUCCCRBRFGX-UHFFFAOYSA-N 2 0 304.398 0.856 20 30 DCEDRP CC[NH+]1CCC(NC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000331238753 416294139 /nfs/dbraw/zinc/29/41/39/416294139.db2.gz IKEIOAARXFEPMC-UHFFFAOYSA-N 2 0 308.430 1.255 20 30 DCEDRP C=CCNC(=O)NC(=O)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420367845 416418622 /nfs/dbraw/zinc/41/86/22/416418622.db2.gz ADWIZINNCVYZRA-ZFWWWQNUSA-N 2 0 324.425 0.217 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000419725354 416406492 /nfs/dbraw/zinc/40/64/92/416406492.db2.gz IIXPQOONTOCPEI-ZFWWWQNUSA-N 2 0 322.453 0.387 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000419727857 416406742 /nfs/dbraw/zinc/40/67/42/416406742.db2.gz LZBKXEZGRGCVIC-OAHLLOKOSA-N 2 0 322.453 0.483 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cccn2C)CC1 ZINC000490851765 416577259 /nfs/dbraw/zinc/57/72/59/416577259.db2.gz ICRNQUVRCMANDP-KRWDZBQOSA-N 2 0 314.433 0.939 20 30 DCEDRP C#CCNC(=O)CC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000491167149 416589171 /nfs/dbraw/zinc/58/91/71/416589171.db2.gz WNGOJNRBRXQKOC-UHFFFAOYSA-N 2 0 320.481 0.475 20 30 DCEDRP C=CC[C@@]1(C(=O)NCCN2CCC([NH+](C)C)CC2)CCC[NH2+]1 ZINC000662748429 417885154 /nfs/dbraw/zinc/88/51/54/417885154.db2.gz UCBHLODKYAODPH-KRWDZBQOSA-N 2 0 308.470 0.827 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659707292 418154494 /nfs/dbraw/zinc/15/44/94/418154494.db2.gz UJOHNQVFEYVXRE-UHFFFAOYSA-N 2 0 320.437 0.093 20 30 DCEDRP C=CCNC(=O)CN1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000649411354 418252090 /nfs/dbraw/zinc/25/20/90/418252090.db2.gz MPTFRFOWMAHEHZ-UHFFFAOYSA-N 2 0 308.470 0.686 20 30 DCEDRP C[C@H]1C[N@H+](CC#CC[NH+]2C[C@@H](C)[C@@](C)(CO)C2)C[C@]1(C)CO ZINC000662142647 418384298 /nfs/dbraw/zinc/38/42/98/418384298.db2.gz JHRMPSVVJIFSBL-XMTFNYHQSA-N 2 0 308.466 0.890 20 30 DCEDRP N#Cc1cccc(CS(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1 ZINC000420457918 271371178 /nfs/dbraw/zinc/37/11/78/271371178.db2.gz PANQVJSZNABSEF-UHFFFAOYSA-N 2 0 310.423 0.388 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000570028657 332704178 /nfs/dbraw/zinc/70/41/78/332704178.db2.gz FDMQSPLNMXNABO-OAHLLOKOSA-N 2 0 310.442 0.705 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173953765 340378510 /nfs/dbraw/zinc/37/85/10/340378510.db2.gz XKDRHYAILWIETD-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001566036069 1159949665 /nfs/dbraw/zinc/94/96/65/1159949665.db2.gz UCKLZCTZYNEQIX-HOTGVXAUSA-N 2 0 309.454 0.491 20 30 DCEDRP C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261972103 526381903 /nfs/dbraw/zinc/38/19/03/526381903.db2.gz NATOWGWORULOOB-MFKMUULPSA-N 2 0 319.409 0.526 20 30 DCEDRP C[NH+]=C(NCc1nnc(C)n1C)NC1CC[NH+](C(C)C)CC1 ZINC000261984915 526390867 /nfs/dbraw/zinc/39/08/67/526390867.db2.gz PUHXQBFMTGTCDL-UHFFFAOYSA-N 2 0 307.446 0.661 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363634025 527025083 /nfs/dbraw/zinc/02/50/83/527025083.db2.gz JVGOSPFGGXRIHC-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ncccc1F ZINC000269476102 529100618 /nfs/dbraw/zinc/10/06/18/529100618.db2.gz NDBOQZVIGHZFHY-LBPRGKRZSA-N 2 0 309.389 0.988 20 30 DCEDRP C#CCC[N@@H+](C)CCN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001667587740 1174692748 /nfs/dbraw/zinc/69/27/48/1174692748.db2.gz CIVUIGMADGTYAL-UHFFFAOYSA-N 2 0 309.454 0.758 20 30 DCEDRP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978559144 660561915 /nfs/dbraw/zinc/56/19/15/660561915.db2.gz PJIJURNTEPKLBD-UEIJKTBSSA-N 2 0 317.433 0.330 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCN(C)CC[N@@H+](C)CC2)CC1 ZINC000888993667 661009747 /nfs/dbraw/zinc/00/97/47/661009747.db2.gz BERASUAUGOLHBU-UHFFFAOYSA-N 2 0 306.454 0.037 20 30 DCEDRP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000981209015 661101665 /nfs/dbraw/zinc/10/16/65/661101665.db2.gz DLFLWHMJOJXPCO-HZPDHXFCSA-N 2 0 307.438 0.960 20 30 DCEDRP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000981540533 661169428 /nfs/dbraw/zinc/16/94/28/661169428.db2.gz DPOATFFRYSSVPZ-DLBZAZTESA-N 2 0 301.434 0.982 20 30 DCEDRP C#CCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000981645884 661189396 /nfs/dbraw/zinc/18/93/96/661189396.db2.gz GSABAADYNJUMRR-UPTPFMHGSA-N 2 0 317.433 0.407 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2cc(CN3CCCC3)on2)C[C@H]1C ZINC000939147984 665502701 /nfs/dbraw/zinc/50/27/01/665502701.db2.gz QKLHNTTWTMLLRQ-CZUORRHYSA-N 2 0 316.405 0.954 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC#CCO ZINC000923779167 658750157 /nfs/dbraw/zinc/75/01/57/658750157.db2.gz MPPCKDYCZDRWDV-HNNXBMFYSA-N 2 0 310.442 0.040 20 30 DCEDRP C#CCN(C(=O)NC[C@@H](C[NH+](C)C)OCC)C1CC[NH+](C)CC1 ZINC000926849313 659463655 /nfs/dbraw/zinc/46/36/55/659463655.db2.gz BJIRJAHFFXZFTM-INIZCTEOSA-N 2 0 324.469 0.692 20 30 DCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001028551877 661605410 /nfs/dbraw/zinc/60/54/10/661605410.db2.gz AKPYUPXHHXICEX-CJNGLKHVSA-N 2 0 315.421 0.861 20 30 DCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001028683679 661757676 /nfs/dbraw/zinc/75/76/76/661757676.db2.gz RILCSASXGARKMP-CQSZACIVSA-N 2 0 309.373 0.952 20 30 DCEDRP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698228 661764645 /nfs/dbraw/zinc/76/46/45/661764645.db2.gz DLHAUUHKUYBMRE-UERKLNTKSA-N 2 0 319.449 0.864 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001028859658 661854285 /nfs/dbraw/zinc/85/42/85/661854285.db2.gz FFIHHLDSOXTZDK-HNNXBMFYSA-N 2 0 317.437 0.520 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](C[C@@H](C)OC)C2)CC1 ZINC001029003004 661930181 /nfs/dbraw/zinc/93/01/81/661930181.db2.gz GMFXIHMFXIFZLO-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCNC(=O)C1CCC1 ZINC000304690412 662465991 /nfs/dbraw/zinc/46/59/91/662465991.db2.gz HCCZSUGQFYRXGI-AWEZNQCLSA-N 2 0 309.458 0.681 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000900694996 663269140 /nfs/dbraw/zinc/26/91/40/663269140.db2.gz GWYYDWQFKZZUDS-UHFFFAOYSA-N 2 0 324.469 0.411 20 30 DCEDRP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001001075328 665990152 /nfs/dbraw/zinc/99/01/52/665990152.db2.gz GWAZDIAXCUBXQD-KRWDZBQOSA-N 2 0 319.449 0.867 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC000909311479 663794235 /nfs/dbraw/zinc/79/42/35/663794235.db2.gz DJKNCXPRPZFFPA-UHFFFAOYSA-N 2 0 310.442 0.213 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000911236419 664008950 /nfs/dbraw/zinc/00/89/50/664008950.db2.gz QTACHEFJWZTUMB-GUYCJALGSA-N 2 0 320.437 0.093 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)CC1 ZINC000911235296 664012645 /nfs/dbraw/zinc/01/26/45/664012645.db2.gz BHLUOYPYDSKSCS-ZIAGYGMSSA-N 2 0 322.453 0.196 20 30 DCEDRP C=CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031727928 665352339 /nfs/dbraw/zinc/35/23/39/665352339.db2.gz ZFRRELJNSSDVFR-MRXNPFEDSA-N 2 0 307.438 0.864 20 30 DCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000941436891 665998179 /nfs/dbraw/zinc/99/81/79/665998179.db2.gz KLMUPQCGWWHUAT-KRWDZBQOSA-N 2 0 320.481 0.731 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1OCC ZINC001691323362 1157642493 /nfs/dbraw/zinc/64/24/93/1157642493.db2.gz IVBZTNYEVUFPAO-OWCLPIDISA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCN1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033085570 666496890 /nfs/dbraw/zinc/49/68/90/666496890.db2.gz USOASXFIFSVCTN-CQSZACIVSA-N 2 0 303.410 0.224 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2C)CC1 ZINC000945184228 666580449 /nfs/dbraw/zinc/58/04/49/666580449.db2.gz VVZIMNJWMDYYIP-GDBMZVCRSA-N 2 0 307.438 0.151 20 30 DCEDRP C#CC[NH2+][C@H]1CN(C(=O)C2CC[NH+](CC#C)CC2)CC1(C)C ZINC000996675429 666856852 /nfs/dbraw/zinc/85/68/52/666856852.db2.gz YOEQMVIWIFCRCW-INIZCTEOSA-N 2 0 301.434 0.791 20 30 DCEDRP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034318690 666988187 /nfs/dbraw/zinc/98/81/87/666988187.db2.gz DVUPJXKXMJTKHE-BNQMIIOLSA-N 2 0 317.433 0.454 20 30 DCEDRP C#CCN1CCC[C@H](NC(=O)CCCCN2CCOCC2)C1 ZINC000923564021 667565478 /nfs/dbraw/zinc/56/54/78/667565478.db2.gz NBAIVDRUJDJPIL-INIZCTEOSA-N 2 0 307.438 0.703 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)CC1 ZINC000869782910 667682785 /nfs/dbraw/zinc/68/27/85/667682785.db2.gz XQOLQMWOLBJASF-HNNXBMFYSA-N 2 0 307.438 0.293 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](NC(=O)C(=C)C[NH+](C)C)C1CC1 ZINC000764472337 668448694 /nfs/dbraw/zinc/44/86/94/668448694.db2.gz NOXMZENKLVGZMN-HNNXBMFYSA-N 2 0 322.453 0.233 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000877199387 668574580 /nfs/dbraw/zinc/57/45/80/668574580.db2.gz PAUUJJZHMLKXEI-GFCCVEGCSA-N 2 0 309.801 0.900 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000928661453 668614071 /nfs/dbraw/zinc/61/40/71/668614071.db2.gz WVQYFZJSDWBBNV-UHFFFAOYSA-N 2 0 307.438 0.559 20 30 DCEDRP C#C[C@@H]([NH2+]CCOCC[NH2+][C@@H](C#C)[C@H]1CCCO1)[C@H]1CCCO1 ZINC000775795086 668867729 /nfs/dbraw/zinc/86/77/29/668867729.db2.gz LOWMHYZSVHCMKQ-XMTFNYHQSA-N 2 0 320.433 0.544 20 30 DCEDRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)CC3(C#N)CCOCC3)C[C@@H]2C1 ZINC000931442137 669204943 /nfs/dbraw/zinc/20/49/43/669204943.db2.gz VUNSCLNOSBUJHY-PMPSAXMXSA-N 2 0 307.438 0.941 20 30 DCEDRP C#CCC[NH+]1CCC(NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC000933354530 669485445 /nfs/dbraw/zinc/48/54/45/669485445.db2.gz GHOLQJHLBMTQKF-UHFFFAOYSA-N 2 0 307.438 0.701 20 30 DCEDRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(OCC#N)cc2)CC1 ZINC000819010545 671085104 /nfs/dbraw/zinc/08/51/04/671085104.db2.gz CRNRGJWJSARNTL-MRXNPFEDSA-N 2 0 318.421 0.287 20 30 DCEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000819032822 671086902 /nfs/dbraw/zinc/08/69/02/671086902.db2.gz JLNSWUDNUNCDIB-PBHICJAKSA-N 2 0 302.422 0.817 20 30 DCEDRP O=C(C#CC1CC[NH2+]CC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000852865443 671178843 /nfs/dbraw/zinc/17/88/43/671178843.db2.gz COCKILGKALZWDD-UHFFFAOYSA-N 2 0 319.449 0.751 20 30 DCEDRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852872703 671181718 /nfs/dbraw/zinc/18/17/18/671181718.db2.gz KJEAQBGHDNINIS-INIZCTEOSA-N 2 0 320.481 0.379 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000827114157 671515310 /nfs/dbraw/zinc/51/53/10/671515310.db2.gz GQZMHWYQQWZQNQ-UHFFFAOYSA-N 2 0 322.453 0.448 20 30 DCEDRP Cc1cc([C@H]([NH3+])CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc(Cl)n1 ZINC000834484260 671763494 /nfs/dbraw/zinc/76/34/94/671763494.db2.gz GKBOBSUKXSPMQE-UTUOFQBUSA-N 2 0 307.785 0.661 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000834494544 671764939 /nfs/dbraw/zinc/76/49/39/671764939.db2.gz NYDJBXFCHFZYPN-XHSDSOJGSA-N 2 0 313.405 0.521 20 30 DCEDRP C#CC[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000843269472 672077937 /nfs/dbraw/zinc/07/79/37/672077937.db2.gz NOHZTBBTHHCEAK-HUUCEWRRSA-N 2 0 305.422 0.801 20 30 DCEDRP C=C(C)C[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001691524921 1158201144 /nfs/dbraw/zinc/20/11/44/1158201144.db2.gz OOAQZMQDSRMIDW-CVEARBPZSA-N 2 0 309.454 0.942 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOC1CCOCC1 ZINC000304784887 685211865 /nfs/dbraw/zinc/21/18/65/685211865.db2.gz HTHHEPDJJCQMKO-AWEZNQCLSA-N 2 0 312.458 0.961 20 30 DCEDRP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038535019 694109650 /nfs/dbraw/zinc/10/96/50/694109650.db2.gz JTFJOZLVLUTYFY-KRIMKBQASA-N 2 0 305.422 0.616 20 30 DCEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC000958214496 687445934 /nfs/dbraw/zinc/44/59/34/687445934.db2.gz IIIZJNGQDYTMHY-HUUCEWRRSA-N 2 0 307.438 0.600 20 30 DCEDRP C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958554951 687741281 /nfs/dbraw/zinc/74/12/81/687741281.db2.gz JFIIJSZAHRFVNJ-JKSUJKDBSA-N 2 0 307.438 0.149 20 30 DCEDRP C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000958581154 687769811 /nfs/dbraw/zinc/76/98/11/687769811.db2.gz MVKOECVUYFGVGL-DLBZAZTESA-N 2 0 319.449 0.151 20 30 DCEDRP C=CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000958729877 687882020 /nfs/dbraw/zinc/88/20/20/687882020.db2.gz YZLJVMGIMVKFFU-DOTOQJQBSA-N 2 0 317.433 0.957 20 30 DCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000961763487 688725400 /nfs/dbraw/zinc/72/54/00/688725400.db2.gz LLMVJACUMVUPSY-CFAJVAMVSA-N 2 0 307.413 0.879 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCCO ZINC000968894033 690416157 /nfs/dbraw/zinc/41/61/57/690416157.db2.gz YLGYORVBDQPQEE-SJORKVTESA-N 2 0 321.465 0.827 20 30 DCEDRP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073861506 694793623 /nfs/dbraw/zinc/79/36/23/694793623.db2.gz DNOCVEQVLPLVGT-HNNXBMFYSA-N 2 0 307.438 0.865 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C(C)C 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C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127082027 1158436242 /nfs/dbraw/zinc/43/62/42/1158436242.db2.gz JTOYXKVDOASROA-KBPBESRZSA-N 2 0 310.442 0.256 20 30 DCEDRP CC#CC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001566036280 1159952141 /nfs/dbraw/zinc/95/21/41/1159952141.db2.gz XPKXBDNXOOAXJU-INIZCTEOSA-N 2 0 309.454 0.637 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001566954332 1160192598 /nfs/dbraw/zinc/19/25/98/1160192598.db2.gz WXGUUMHATXEOAR-HNNXBMFYSA-N 2 0 324.469 0.600 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC#CCOC)C1 ZINC001567151931 1160258226 /nfs/dbraw/zinc/25/82/26/1160258226.db2.gz VPSIQVHDEZEOSY-MRXNPFEDSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001567369576 1160333266 /nfs/dbraw/zinc/33/32/66/1160333266.db2.gz AAOXURHALQKVGP-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP CC[N@H+](C)CCC(=O)NCC[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001567711588 1160460265 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0.902 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC=C)CCOCC2)CC1 ZINC001569735491 1161213095 /nfs/dbraw/zinc/21/30/95/1161213095.db2.gz AASIMKZBEBGIAM-UHFFFAOYSA-N 2 0 319.449 0.773 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001570357344 1161578136 /nfs/dbraw/zinc/57/81/36/1161578136.db2.gz WHVNEOHRHLEVJC-RDJZCZTQSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC001574674221 1163738563 /nfs/dbraw/zinc/73/85/63/1163738563.db2.gz WXWMPKIHPLOYHC-INIZCTEOSA-N 2 0 318.465 0.228 20 30 DCEDRP CC[NH+]1CCN(CC(C)(C)NC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001577775713 1164787778 /nfs/dbraw/zinc/78/77/78/1164787778.db2.gz NKPXGTZHXWBJDO-CQSZACIVSA-N 2 0 309.458 0.540 20 30 DCEDRP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)[C@H]([NH3+])CCCCC#N ZINC001578470892 1165027971 /nfs/dbraw/zinc/02/79/71/1165027971.db2.gz COHJXDUDTFPAST-OAHLLOKOSA-N 2 0 322.453 0.968 20 30 DCEDRP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001656784208 1173884557 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DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001662919410 1174251873 /nfs/dbraw/zinc/25/18/73/1174251873.db2.gz UOAVZKKDUCBQBG-LSDHHAIUSA-N 2 0 322.453 0.093 20 30 DCEDRP C#CCC[NH+]1CCN(CCN(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001664776815 1174458615 /nfs/dbraw/zinc/45/86/15/1174458615.db2.gz AARWTMHIWIZVLR-UHFFFAOYSA-N 2 0 320.481 0.428 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC001665964222 1174575485 /nfs/dbraw/zinc/57/54/85/1174575485.db2.gz QMCKTZMQUVXFDU-UHFFFAOYSA-N 2 0 322.453 0.403 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC#CCOC)CC1 ZINC001669750861 1174946981 /nfs/dbraw/zinc/94/69/81/1174946981.db2.gz RLJGTMVFKVUHIA-HNNXBMFYSA-N 2 0 305.422 0.076 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)CCc2cncn2C)CCOCC1 ZINC001671952186 1175047946 /nfs/dbraw/zinc/04/79/46/1175047946.db2.gz GBFPNHJNMZYUNV-UHFFFAOYSA-N 2 0 318.421 0.631 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001672247489 1175091730 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20 30 DCEDRP C=CCOCC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001677632170 1175588382 /nfs/dbraw/zinc/58/83/82/1175588382.db2.gz HGKPSNPMOIXCDA-MRXNPFEDSA-N 2 0 307.438 0.889 20 30 DCEDRP C#CCC[N@H+](C)CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001689809989 1177069922 /nfs/dbraw/zinc/06/99/22/1177069922.db2.gz MLVWWQSRIHPCJL-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CC#CCOC)C1 ZINC001690429454 1177241566 /nfs/dbraw/zinc/24/15/66/1177241566.db2.gz PPUFEGMNGOYZJW-INIZCTEOSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001691951496 1177390761 /nfs/dbraw/zinc/39/07/61/1177390761.db2.gz LXDRJNPVIUIVLH-IXDOHACOSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[N@@H+](C)CCOCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001692108374 1177417717 /nfs/dbraw/zinc/41/77/17/1177417717.db2.gz AYRNGIWEJUALNS-UHFFFAOYSA-N 2 0 309.454 0.758 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CCCO)CC2)CC1 ZINC001698714675 1177615326 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FNHWGYLACHCZIW-WBVHZDCISA-N 2 0 301.434 0.791 20 30 DCEDRP C#CCNC(=O)C[NH+](C)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001700697059 1178710472 /nfs/dbraw/zinc/71/04/72/1178710472.db2.gz ULNSFOVWBAPWDM-UHFFFAOYSA-N 2 0 322.453 0.000 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001700758677 1178732387 /nfs/dbraw/zinc/73/23/87/1178732387.db2.gz CKHHKYARZPHANL-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001700939713 1178816952 /nfs/dbraw/zinc/81/69/52/1178816952.db2.gz SSORGYHFQFGUAH-HZPDHXFCSA-N 2 0 309.454 0.988 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001700939788 1178817547 /nfs/dbraw/zinc/81/75/47/1178817547.db2.gz URBHPCFLRDJGPQ-DLBZAZTESA-N 2 0 321.465 0.826 20 30 DCEDRP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001700965620 1178845988 /nfs/dbraw/zinc/84/59/88/1178845988.db2.gz YKXJBUOUDBKPBO-IRXDYDNUSA-N 2 0 323.481 0.881 20 30 DCEDRP C#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001700966449 1178847310 /nfs/dbraw/zinc/84/73/10/1178847310.db2.gz WHQVEPNCLOWBBC-CVEARBPZSA-N 2 0 309.454 0.493 20 30 DCEDRP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001707118384 1180419072 /nfs/dbraw/zinc/41/90/72/1180419072.db2.gz JPZCXFGJHWBCDK-JKSUJKDBSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001707208813 1180433565 /nfs/dbraw/zinc/43/35/65/1180433565.db2.gz MPPXFLRQWJLNIH-HNNXBMFYSA-N 2 0 309.454 0.800 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]C[C@H](CC)OC)C2)CC1 ZINC001713151729 1180698208 /nfs/dbraw/zinc/69/82/08/1180698208.db2.gz FBPAHMCUJSBWAL-IRXDYDNUSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2)C1=O ZINC001713205848 1180719199 /nfs/dbraw/zinc/71/91/99/1180719199.db2.gz SSKOFGMPWNVABA-LJISPDSOSA-N 2 0 322.453 0.350 20 30 DCEDRP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001713401946 1180799814 /nfs/dbraw/zinc/79/98/14/1180799814.db2.gz WLTQSWPXSQGVLX-DLBZAZTESA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCC[NH+]1CCN(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001713809022 1181084593 /nfs/dbraw/zinc/08/45/93/1181084593.db2.gz KZINVPJAOPXXFU-INIZCTEOSA-N 2 0 308.470 0.781 20 30 DCEDRP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001714381046 1181342619 /nfs/dbraw/zinc/34/26/19/1181342619.db2.gz XEGILIXAXDOJAH-JKSUJKDBSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001714668394 1181468762 /nfs/dbraw/zinc/46/87/62/1181468762.db2.gz CWKJNPFLQFPVPA-UONOGXRCSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001714796370 1181552788 /nfs/dbraw/zinc/55/27/88/1181552788.db2.gz FXRVGOUYTHTEIU-CQSZACIVSA-N 2 0 310.442 0.211 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001715124716 1181696257 /nfs/dbraw/zinc/69/62/57/1181696257.db2.gz NFBXCTXXHHMRDE-SUMWQHHRSA-N 2 0 322.453 0.115 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+][C@H](C)COC)CC1 ZINC001715270631 1181744899 /nfs/dbraw/zinc/74/48/99/1181744899.db2.gz GPUHNNXFIGQDHP-HUUCEWRRSA-N 2 0 309.454 0.708 20 30 DCEDRP COCC#CC[NH2+]C/C=C/CNC(=O)C[NH+]1CCC(C)CC1 ZINC001715883525 1182073961 /nfs/dbraw/zinc/07/39/61/1182073961.db2.gz CBOSEQWTYVEMSB-ONEGZZNKSA-N 2 0 307.438 0.630 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001715947445 1182113614 /nfs/dbraw/zinc/11/36/14/1182113614.db2.gz YGCRTBDUUWVHOC-OLZOCXBDSA-N 2 0 310.442 0.113 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]C/C=C/Cl)CC1 ZINC001716113047 1182196892 /nfs/dbraw/zinc/19/68/92/1182196892.db2.gz XAGDVYSTILSVNK-BOTMBNHJSA-N 2 0 313.829 0.151 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CNCc2nocc2C)CC1 ZINC001716424527 1182384781 /nfs/dbraw/zinc/38/47/81/1182384781.db2.gz JLTOYUAPOHLGPO-CQSZACIVSA-N 2 0 318.421 0.923 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001716778786 1182522760 /nfs/dbraw/zinc/52/27/60/1182522760.db2.gz FMJRRALLQVOJLZ-HNNXBMFYSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@@H+](C(C)C)C2)CC1 ZINC001716930373 1182586654 /nfs/dbraw/zinc/58/66/54/1182586654.db2.gz RWDHVPRLURJKST-QGZVFWFLSA-N 2 0 307.438 0.293 20 30 DCEDRP C[N@@H+]1CC[C@H](C(=O)NCCCCC[NH+]2CCN(CC#N)CC2)C1 ZINC001725014352 1184655381 /nfs/dbraw/zinc/65/53/81/1184655381.db2.gz LIELSTGFUKABTF-INIZCTEOSA-N 2 0 321.469 0.366 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001725361612 1184787122 /nfs/dbraw/zinc/78/71/22/1184787122.db2.gz XZARFARPPMCNBA-KBUPBQIOSA-N 2 0 316.405 0.647 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001725754751 1184983574 /nfs/dbraw/zinc/98/35/74/1184983574.db2.gz IEHVFIPVWCNITH-GJZGRUSLSA-N 2 0 309.454 0.708 20 30 DCEDRP C#CC[NH+]1CCC(N(C)C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001731352458 1185285262 /nfs/dbraw/zinc/28/52/62/1185285262.db2.gz OJXVAOSXABVJHW-UHFFFAOYSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001731527421 1185374368 /nfs/dbraw/zinc/37/43/68/1185374368.db2.gz YYDHINWMRDRWDH-HNNXBMFYSA-N 2 0 317.437 0.520 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH2+]C[C@@H](C)O)C2)CC1 ZINC001731528516 1185375795 /nfs/dbraw/zinc/37/57/95/1185375795.db2.gz BFCBSVUMYRYBMR-CVEARBPZSA-N 2 0 321.465 0.541 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001731848688 1185528101 /nfs/dbraw/zinc/52/81/01/1185528101.db2.gz LNYINDJOYBIINS-HUUCEWRRSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)[C@H](C)COC)CC1 ZINC001733066055 1186125554 /nfs/dbraw/zinc/12/55/54/1186125554.db2.gz JWDSRPWQCUZCHF-HUUCEWRRSA-N 2 0 309.454 0.803 20 30 DCEDRP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CCCO)CC1 ZINC001733373642 1186245026 /nfs/dbraw/zinc/24/50/26/1186245026.db2.gz DDYPGYIYACJOAI-MRXNPFEDSA-N 2 0 309.454 0.635 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001733481158 1186289055 /nfs/dbraw/zinc/28/90/55/1186289055.db2.gz ZPOHJYILAXYGGS-WBVHZDCISA-N 2 0 307.438 0.457 20 30 DCEDRP CC#CC[NH2+]C1CCN(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001733583418 1186341756 /nfs/dbraw/zinc/34/17/56/1186341756.db2.gz LPFJCPSGOBHFEY-UHFFFAOYSA-N 2 0 306.454 0.276 20 30 DCEDRP C#CC[NH2+]C1CCN(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001733583105 1186342213 /nfs/dbraw/zinc/34/22/13/1186342213.db2.gz ZETIMNGNGFUIAY-UHFFFAOYSA-N 2 0 318.465 0.418 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001733818540 1186459744 /nfs/dbraw/zinc/45/97/44/1186459744.db2.gz FMEDDVYDQUXFRC-MRXNPFEDSA-N 2 0 305.422 0.191 20 30 DCEDRP COCC#CC[NH2+]CC(C)(C)CN(C)C(=O)Cc1cncn1C ZINC001734024655 1186522812 /nfs/dbraw/zinc/52/28/12/1186522812.db2.gz ZBNQQEHKCMZRDY-UHFFFAOYSA-N 2 0 320.437 0.687 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)[C@@H]1C ZINC001734411331 1186646090 /nfs/dbraw/zinc/64/60/90/1186646090.db2.gz YXFIZBHUMKOBMS-NVXWUHKLSA-N 2 0 301.434 0.934 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001752629412 1188430235 /nfs/dbraw/zinc/43/02/35/1188430235.db2.gz WZXLWXVVTRFZSO-JYJNAYRXSA-N 2 0 305.422 0.215 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+](C)CCC)C2)C1=O ZINC001752773730 1188438100 /nfs/dbraw/zinc/43/81/00/1188438100.db2.gz VZWAWEUKTFOOMF-ZNMIVQPWSA-N 2 0 322.453 0.352 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001752855322 1188450636 /nfs/dbraw/zinc/45/06/36/1188450636.db2.gz SARYUQJKUCFYEE-UHFFFAOYSA-N 2 0 324.469 0.646 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]CC#CCOC)C1 ZINC001753222840 1188540292 /nfs/dbraw/zinc/54/02/92/1188540292.db2.gz PHJQFKPZPKFHSD-MRXNPFEDSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001753341588 1188567636 /nfs/dbraw/zinc/56/76/36/1188567636.db2.gz CHUFPRJSLJQSFW-IAGOWNOFSA-N 2 0 320.481 0.426 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001753515372 1188612981 /nfs/dbraw/zinc/61/29/81/1188612981.db2.gz YYDIWEDSJDKSGQ-PBHICJAKSA-N 2 0 322.453 0.257 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC001754599838 1188887421 /nfs/dbraw/zinc/88/74/21/1188887421.db2.gz VMAPOIYLCOQVKV-HOTGVXAUSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CCOCC1 ZINC001754742432 1188915244 /nfs/dbraw/zinc/91/52/44/1188915244.db2.gz GMWRPCRKZQRVDK-UHFFFAOYSA-N 2 0 307.438 0.751 20 30 DCEDRP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001754756984 1188924043 /nfs/dbraw/zinc/92/40/43/1188924043.db2.gz ACNKHTHHDKQCAW-QGZVFWFLSA-N 2 0 309.454 0.847 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCC1 ZINC001754987215 1188987095 /nfs/dbraw/zinc/98/70/95/1188987095.db2.gz KRFIOGBCHDEMHR-AWEZNQCLSA-N 2 0 322.453 0.259 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC#CCOC ZINC001755328049 1189082142 /nfs/dbraw/zinc/08/21/42/1189082142.db2.gz NQAHMWIRQLJOLA-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001755368538 1189092667 /nfs/dbraw/zinc/09/26/67/1189092667.db2.gz SLWDEFZMOIELBF-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001755481832 1189123718 /nfs/dbraw/zinc/12/37/18/1189123718.db2.gz XQEPAZNVWMLPEU-KKUMJFAQSA-N 2 0 322.453 0.115 20 30 DCEDRP C#CCC[N@H+](C)CCOCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001755540800 1189142089 /nfs/dbraw/zinc/14/20/89/1189142089.db2.gz OUTGBXNFEPNQBJ-UHFFFAOYSA-N 2 0 321.465 0.950 20 30 DCEDRP C#CC[N@H+](C)CCOCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001755544050 1189143097 /nfs/dbraw/zinc/14/30/97/1189143097.db2.gz IEMXEAIIZIVCNN-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH2+]CCOCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001755876112 1189243415 /nfs/dbraw/zinc/24/34/15/1189243415.db2.gz ISBMOOBGMQYONC-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CCC[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127570943 751514561 /nfs/dbraw/zinc/51/45/61/751514561.db2.gz GSBQWULQUUKQSO-CVEARBPZSA-N 2 0 307.438 0.462 20 30 DCEDRP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001077570909 751621790 /nfs/dbraw/zinc/62/17/90/751621790.db2.gz FCLXRYXJIAVHMD-CAOSSQGBSA-N 2 0 309.454 0.844 20 30 DCEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104908346 747978503 /nfs/dbraw/zinc/97/85/03/747978503.db2.gz SSIWEVZUYZTCTF-HZPDHXFCSA-N 2 0 309.454 0.662 20 30 DCEDRP C=CCC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+](C)C(C)C)C2)nn1 ZINC001105377346 748710773 /nfs/dbraw/zinc/71/07/73/748710773.db2.gz YPBXDDBRCSUJBY-UHFFFAOYSA-N 2 0 320.441 0.667 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112154209 748874893 /nfs/dbraw/zinc/87/48/93/748874893.db2.gz AEPLNTAZKMBFLR-VXGBXAGGSA-N 2 0 305.344 0.940 20 30 DCEDRP C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001098723595 749303871 /nfs/dbraw/zinc/30/38/71/749303871.db2.gz YOTFKVPUPLNHMF-HNNXBMFYSA-N 2 0 318.425 0.116 20 30 DCEDRP C#CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@H]1C ZINC001088619741 749804049 /nfs/dbraw/zinc/80/40/49/749804049.db2.gz ZELRPNKIASJHKH-PVAVHDDUSA-N 2 0 319.449 0.842 20 30 DCEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083524370 750096186 /nfs/dbraw/zinc/09/61/86/750096186.db2.gz RJFQEXVCCAWNFG-XHSDSOJGSA-N 2 0 309.454 0.987 20 30 DCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC001044607721 752806626 /nfs/dbraw/zinc/80/66/26/752806626.db2.gz DZZZKVYHBBJRAZ-LSDHHAIUSA-N 2 0 317.437 0.661 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@]1(C)C[N@H+](CC(C)C)CCO1 ZINC001108004554 752899939 /nfs/dbraw/zinc/89/99/39/752899939.db2.gz XDSASCJSXAAZKX-FUHWJXTLSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001045444845 753196854 /nfs/dbraw/zinc/19/68/54/753196854.db2.gz YPGYSEDCTDWRRL-CABCVRRESA-N 2 0 305.422 0.454 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C23CCC3)CC1 ZINC001078819681 753393422 /nfs/dbraw/zinc/39/34/22/753393422.db2.gz RCOHEXQCDCRMAC-CVEARBPZSA-N 2 0 319.449 0.341 20 30 DCEDRP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001046032831 753436561 /nfs/dbraw/zinc/43/65/61/753436561.db2.gz OHDMQPXAWALONU-IXDOHACOSA-N 2 0 318.465 0.178 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001046039244 753441871 /nfs/dbraw/zinc/44/18/71/753441871.db2.gz UUHZBEVDCKEIIE-IAGOWNOFSA-N 2 0 320.481 0.568 20 30 DCEDRP C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046082548 753472099 /nfs/dbraw/zinc/47/20/99/753472099.db2.gz UFBZNGVHUTYSLW-KRWDZBQOSA-N 2 0 320.481 0.877 20 30 DCEDRP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046082234 753472346 /nfs/dbraw/zinc/47/23/46/753472346.db2.gz PFCVDFLBFLTUCF-DLBZAZTESA-N 2 0 318.465 0.180 20 30 DCEDRP CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001046696917 753881860 /nfs/dbraw/zinc/88/18/60/753881860.db2.gz XXADVPBGKBFTOY-KRWDZBQOSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001047458991 754302769 /nfs/dbraw/zinc/30/27/69/754302769.db2.gz KBMDSXIDQYBBBG-HOTGVXAUSA-N 2 0 312.373 0.475 20 30 DCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C[C@H]2C1 ZINC001048818230 754958931 /nfs/dbraw/zinc/95/89/31/754958931.db2.gz GKTQDWMEMHPGHQ-NXOAAHMSSA-N 2 0 301.434 0.884 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC001090355719 755666631 /nfs/dbraw/zinc/66/66/31/755666631.db2.gz RHXLGNFZTUYOIO-JKSUJKDBSA-N 2 0 319.449 0.437 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001052783907 755806377 /nfs/dbraw/zinc/80/63/77/755806377.db2.gz LGKKVRFWEDDZTB-MRXNPFEDSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080161277 756117905 /nfs/dbraw/zinc/11/79/05/756117905.db2.gz UUBAIYXOFKNNSW-HCBPCCMXSA-N 2 0 317.433 0.309 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@H]2C1 ZINC001083083860 757483869 /nfs/dbraw/zinc/48/38/69/757483869.db2.gz PESLXPTVPROLTJ-IXDOHACOSA-N 2 0 319.449 0.816 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC(=C)C)C[C@@H]2O)CC1 ZINC001084090139 757668977 /nfs/dbraw/zinc/66/89/77/757668977.db2.gz LRWKPVKMSYAWGX-SJORKVTESA-N 2 0 319.449 0.459 20 30 DCEDRP C=CC[N@@H+](CCO)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001098391754 759217197 /nfs/dbraw/zinc/21/71/97/759217197.db2.gz HYVOCLUCIBIJHN-UHFFFAOYSA-N 2 0 309.454 0.942 20 30 DCEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100124599 760440829 /nfs/dbraw/zinc/44/08/29/760440829.db2.gz KQXOWQOQQUHWRS-JKSUJKDBSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001148292847 767960380 /nfs/dbraw/zinc/96/03/80/767960380.db2.gz WFTDGKPURJATBM-INIZCTEOSA-N 2 0 319.449 0.512 20 30 DCEDRP C=CCOCC[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169531450 760715357 /nfs/dbraw/zinc/71/53/57/760715357.db2.gz RQOYFWHIWPTYBZ-UHFFFAOYSA-N 2 0 313.442 0.396 20 30 DCEDRP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)COCC[NH+](C)C)C2 ZINC001108800605 761055219 /nfs/dbraw/zinc/05/52/19/761055219.db2.gz IGASUOAJPWYLHP-XHSDSOJGSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H](Cn1cccn1)N(C)C ZINC001129386541 761316555 /nfs/dbraw/zinc/31/65/55/761316555.db2.gz MTQDQNUMFJLECJ-CABCVRRESA-N 2 0 307.442 0.874 20 30 DCEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902323 761601707 /nfs/dbraw/zinc/60/17/07/761601707.db2.gz BVFRZTVPWNAYRI-PVAVHDDUSA-N 2 0 319.449 0.842 20 30 DCEDRP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C1CC[NH+](C)CC1)C[C@H](C)O2 ZINC001071204031 761703146 /nfs/dbraw/zinc/70/31/46/761703146.db2.gz MCNTVRBEVFUOQS-MAUKXSAKSA-N 2 0 319.449 0.653 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@H](C)O)C2)CC1 ZINC001086882494 768083115 /nfs/dbraw/zinc/08/31/15/768083115.db2.gz SVBTZDZTNQCRNC-YQQAZPJKSA-N 2 0 321.465 0.587 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001099263601 762848972 /nfs/dbraw/zinc/84/89/72/762848972.db2.gz UUWNPLMXZMWTDM-JHJVBQTASA-N 2 0 317.355 0.939 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCCNCc1ncc(C)s1 ZINC001129770068 763007191 /nfs/dbraw/zinc/00/71/91/763007191.db2.gz AAMCBSLIDHUXEO-ZDUSSCGKSA-N 2 0 306.435 0.755 20 30 DCEDRP C=CCOCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099974815 763180295 /nfs/dbraw/zinc/18/02/95/763180295.db2.gz VZTJOVXKQLMLRI-HUUCEWRRSA-N 2 0 313.442 0.082 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001087009791 768117772 /nfs/dbraw/zinc/11/77/72/768117772.db2.gz YODLSTURSYNSGF-JKSUJKDBSA-N 2 0 317.437 0.586 20 30 DCEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100115673 763327701 /nfs/dbraw/zinc/32/77/01/763327701.db2.gz BHURPBIZSDIERS-IRXDYDNUSA-N 2 0 321.465 0.827 20 30 DCEDRP CC#CC[NH2+]C1CC(CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001100341204 763505459 /nfs/dbraw/zinc/50/54/59/763505459.db2.gz KXABWBJRGUHUGM-UHFFFAOYSA-N 2 0 317.437 0.566 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001100683851 763722875 /nfs/dbraw/zinc/72/28/75/763722875.db2.gz VECUKERSTKZRPM-RUXDESIVSA-N 2 0 310.442 0.113 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131374481 763786451 /nfs/dbraw/zinc/78/64/51/763786451.db2.gz CFPUAWRAJCZXGG-LBPRGKRZSA-N 2 0 315.377 0.344 20 30 DCEDRP C=CCC[NH+]1CCNC(=O)CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001131390351 763795526 /nfs/dbraw/zinc/79/55/26/763795526.db2.gz FSJNNUTVEAJSNM-UHFFFAOYSA-N 2 0 324.469 0.555 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578288 764709962 /nfs/dbraw/zinc/70/99/62/764709962.db2.gz USOASUGKPDXQHJ-OWCLPIDISA-N 2 0 307.438 0.272 20 30 DCEDRP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579730 764711064 /nfs/dbraw/zinc/71/10/64/764711064.db2.gz MODUBHCQXKBXHH-HUUCEWRRSA-N 2 0 322.453 0.069 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001133091962 764823306 /nfs/dbraw/zinc/82/33/06/764823306.db2.gz WVFNXPYUNLSBLG-LSDHHAIUSA-N 2 0 324.469 0.315 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001133245349 764889348 /nfs/dbraw/zinc/88/93/48/764889348.db2.gz CXPYDANJYJBUQM-JKSUJKDBSA-N 2 0 309.454 0.662 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103722601 765112784 /nfs/dbraw/zinc/11/27/84/765112784.db2.gz VPGKSCFELRWZTD-IAGOWNOFSA-N 2 0 321.465 0.806 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133819898 765150851 /nfs/dbraw/zinc/15/08/51/765150851.db2.gz QSCPNITYLONDMV-OAHLLOKOSA-N 2 0 324.469 0.601 20 30 DCEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133850094 765182340 /nfs/dbraw/zinc/18/23/40/765182340.db2.gz IXHABWJXBYNKTH-OAHLLOKOSA-N 2 0 322.453 0.235 20 30 DCEDRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001133865695 765191791 /nfs/dbraw/zinc/19/17/91/765191791.db2.gz FDKPBBNLFPDNKI-CJNGLKHVSA-N 2 0 300.406 0.962 20 30 DCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CC[NH+](C)CC1 ZINC001115038260 765559790 /nfs/dbraw/zinc/55/97/90/765559790.db2.gz KUHXLVBOAWYJGE-QLPKVWCKSA-N 2 0 305.422 0.167 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584763 765581355 /nfs/dbraw/zinc/58/13/55/765581355.db2.gz WTTKWPLHQVAPIJ-UONOGXRCSA-N 2 0 322.453 0.093 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134606773 765600114 /nfs/dbraw/zinc/60/01/14/765600114.db2.gz ASJDFUIUDTWMJH-KBPBESRZSA-N 2 0 324.469 0.646 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135308129 765876446 /nfs/dbraw/zinc/87/64/46/765876446.db2.gz OFQOZHCTUDLRGO-UONOGXRCSA-N 2 0 312.458 0.503 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938616 766177644 /nfs/dbraw/zinc/17/76/44/766177644.db2.gz MCBQRDDNADXDFU-UONOGXRCSA-N 2 0 322.453 0.257 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135976211 766197853 /nfs/dbraw/zinc/19/78/53/766197853.db2.gz HWSSNVSISJADCX-KGLIPLIRSA-N 2 0 312.458 0.503 20 30 DCEDRP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090572629 766326686 /nfs/dbraw/zinc/32/66/86/766326686.db2.gz HFGVNQIWTDCMSL-GJZGRUSLSA-N 2 0 309.454 0.846 20 30 DCEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090731828 766528540 /nfs/dbraw/zinc/52/85/40/766528540.db2.gz WYKMWYUQUFGUCG-GJZGRUSLSA-N 2 0 307.438 0.600 20 30 DCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC001091164581 766975710 /nfs/dbraw/zinc/97/57/10/766975710.db2.gz RSZYKSMUWGGYGQ-JCYILVPMSA-N 2 0 319.449 0.605 20 30 DCEDRP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881260 768896896 /nfs/dbraw/zinc/89/68/96/768896896.db2.gz JMIVTHKOKPAWIS-HOTGVXAUSA-N 2 0 309.454 0.803 20 30 DCEDRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001151049580 769245893 /nfs/dbraw/zinc/24/58/93/769245893.db2.gz SNKZGYYFCSDGCH-ZDUSSCGKSA-N 2 0 304.369 0.855 20 30 DCEDRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001151049332 769246454 /nfs/dbraw/zinc/24/64/54/769246454.db2.gz MGMBIUWWBSLDHC-AWEZNQCLSA-N 2 0 304.369 0.855 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151096755 769259765 /nfs/dbraw/zinc/25/97/65/769259765.db2.gz FKGHCRWNFHUGNI-UHFFFAOYSA-N 2 0 310.442 0.213 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H]2C[C@]23CCOC3)CC1 ZINC001152330732 769529023 /nfs/dbraw/zinc/52/90/23/769529023.db2.gz UGXGJGOSTHTUQT-WMZOPIPTSA-N 2 0 319.449 0.464 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCCOC(C)C)CC1 ZINC001152329963 769529121 /nfs/dbraw/zinc/52/91/21/769529121.db2.gz FVWHMZAEGZXGIY-UHFFFAOYSA-N 2 0 309.454 0.853 20 30 DCEDRP N#Cc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c(F)c1 ZINC001235871958 769956349 /nfs/dbraw/zinc/95/63/49/769956349.db2.gz VFCVFUKKRKSNEO-UHFFFAOYSA-N 2 0 305.401 0.282 20 30 DCEDRP N#Cc1cc(Cl)cc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235872908 769957924 /nfs/dbraw/zinc/95/79/24/769957924.db2.gz BAMVGEAZCFZXKL-UHFFFAOYSA-N 2 0 321.856 0.796 20 30 DCEDRP N#Cc1ccccc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310111 769993822 /nfs/dbraw/zinc/99/38/22/769993822.db2.gz UZSGJCROKJSBLY-UHFFFAOYSA-N 2 0 303.410 0.174 20 30 DCEDRP C=C(Br)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176072385 770011861 /nfs/dbraw/zinc/01/18/61/770011861.db2.gz RTDXAUBDUBTNIT-LLVKDONJSA-N 2 0 304.232 0.943 20 30 DCEDRP Cc1ccc(S(=O)(=O)NCCC[NH2+]CCCC[NH3+])cc1C#N ZINC001238879939 770141680 /nfs/dbraw/zinc/14/16/80/770141680.db2.gz RDBBSZPBSDSWKV-UHFFFAOYSA-N 2 0 324.450 0.864 20 30 DCEDRP N#Cc1ccc(Cl)cc1S(=O)(=O)N(CC[NH3+])CC[NH3+] ZINC001239096102 770178383 /nfs/dbraw/zinc/17/83/83/770178383.db2.gz AWUQTUYNUISHDZ-UHFFFAOYSA-N 2 0 302.787 0.120 20 30 DCEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001154836538 770311288 /nfs/dbraw/zinc/31/12/88/770311288.db2.gz CZAOXICBNLYGEF-HZPDHXFCSA-N 2 0 309.454 0.946 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001157899797 771689187 /nfs/dbraw/zinc/68/91/87/771689187.db2.gz VTALKFRMMLJQLI-CABCVRRESA-N 2 0 324.469 0.646 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001183765238 771698741 /nfs/dbraw/zinc/69/87/41/771698741.db2.gz QXDRNQHFPDEJGT-ZIAGYGMSSA-N 2 0 322.453 0.045 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1=O ZINC001158372571 771765149 /nfs/dbraw/zinc/76/51/49/771765149.db2.gz MGCPDPPGUTXCJL-RBSFLKMASA-N 2 0 322.453 0.209 20 30 DCEDRP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)COCC[NH+](C)C ZINC001158750529 771817977 /nfs/dbraw/zinc/81/79/77/771817977.db2.gz LLPWKNHLHXTECL-MRXNPFEDSA-N 2 0 309.454 0.901 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001159155325 771866971 /nfs/dbraw/zinc/86/69/71/771866971.db2.gz MRJALWBYCQJWHF-CYBMUJFWSA-N 2 0 316.421 0.064 20 30 DCEDRP CCOC(=O)CN(CC[NH3+])c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001159860598 771969077 /nfs/dbraw/zinc/96/90/77/771969077.db2.gz FXFJKSOFVDLVDW-UHFFFAOYSA-N 2 0 317.393 0.317 20 30 DCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001187443390 772187356 /nfs/dbraw/zinc/18/73/56/772187356.db2.gz QNZFDABRHNDBHH-WBVHZDCISA-N 2 0 307.438 0.865 20 30 DCEDRP C#CC[C@]1(C(=O)N2CC[C@@H](N3CCC([NH3+])CC3)C2)CCC[NH2+]1 ZINC001161378252 772213353 /nfs/dbraw/zinc/21/33/53/772213353.db2.gz LAKQESWQJRQPMT-NVXWUHKLSA-N 2 0 304.438 0.156 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001161649697 772259407 /nfs/dbraw/zinc/25/94/07/772259407.db2.gz SHQUFNNPYXREHW-HNNXBMFYSA-N 2 0 324.469 0.505 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC#CCOC)C2)CC1 ZINC001188091877 772264561 /nfs/dbraw/zinc/26/45/61/772264561.db2.gz PRRLPESFWBYXAP-QGZVFWFLSA-N 2 0 317.433 0.172 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001188138728 772270823 /nfs/dbraw/zinc/27/08/23/772270823.db2.gz APQJQEIBUZEAQY-HUUCEWRRSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)(COC)CC1 ZINC001162301132 772355396 /nfs/dbraw/zinc/35/53/96/772355396.db2.gz UJWJDGGWAURAIF-MRXNPFEDSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001163820940 772577556 /nfs/dbraw/zinc/57/75/56/772577556.db2.gz JUVUEBSRMJJKGG-AWEZNQCLSA-N 2 0 322.453 0.259 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190149271 772590157 /nfs/dbraw/zinc/59/01/57/772590157.db2.gz WDWSSEDFKCVVSL-ARFHVFGLSA-N 2 0 305.422 0.121 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166627382 772831134 /nfs/dbraw/zinc/83/11/34/772831134.db2.gz UOBSRQRHXGFVBS-KGLIPLIRSA-N 2 0 310.442 0.257 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001192353090 772909545 /nfs/dbraw/zinc/90/95/45/772909545.db2.gz ADGYYJAUCOVMNQ-HOTGVXAUSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)COCC[NH+](C)C)C12CCC2 ZINC001203615762 772915909 /nfs/dbraw/zinc/91/59/09/772915909.db2.gz QZXLWZUKCFQROE-CABCVRRESA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001192844585 772968448 /nfs/dbraw/zinc/96/84/48/772968448.db2.gz YQPGGXPGVLFEOP-BZUAXINKSA-N 2 0 309.454 0.987 20 30 DCEDRP C#CC[NH2+]CC1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001205322201 772987731 /nfs/dbraw/zinc/98/77/31/772987731.db2.gz RNZFKTXTNOQDGF-UHFFFAOYSA-N 2 0 317.437 0.520 20 30 DCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001194026700 773140846 /nfs/dbraw/zinc/14/08/46/773140846.db2.gz IYOMOPPHFXPHSG-HZPDHXFCSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)C[C@@H](C)OC)C2)CC1 ZINC001194247350 773167653 /nfs/dbraw/zinc/16/76/53/773167653.db2.gz XBNACOJAMLXRAI-WBVHZDCISA-N 2 0 321.465 0.899 20 30 DCEDRP C=CCN1CCN(C)C2(CC[NH+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001207437366 773206094 /nfs/dbraw/zinc/20/60/94/773206094.db2.gz VMWLKTVTJFDKEG-UHFFFAOYSA-N 2 0 320.481 0.781 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001208334973 773436055 /nfs/dbraw/zinc/43/60/55/773436055.db2.gz PBUKTIYLWZQITF-HOTGVXAUSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCN(CC[N@H+](C)CCN1CC[NH+](C)CC1)C(=O)OCC ZINC001209022210 773552249 /nfs/dbraw/zinc/55/22/49/773552249.db2.gz JGNOHILGPSRKGF-UHFFFAOYSA-N 2 0 312.458 0.810 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001209486028 773609119 /nfs/dbraw/zinc/60/91/19/773609119.db2.gz VALVAPVGKVNREP-JKSUJKDBSA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001209632214 773626988 /nfs/dbraw/zinc/62/69/88/773626988.db2.gz LFAFLOITQGYYJF-HUUCEWRRSA-N 2 0 322.453 0.354 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001209951456 773661962 /nfs/dbraw/zinc/66/19/62/773661962.db2.gz LICFMLYLHKOREH-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210495324 773715119 /nfs/dbraw/zinc/71/51/19/773715119.db2.gz ZANXNBJZPXAEOT-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CCOCC)C2)CC1 ZINC001211233397 773783317 /nfs/dbraw/zinc/78/33/17/773783317.db2.gz DHOKADQAJLIVOF-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP N#Cc1c(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)sc2c1CCC2 ZINC001218549435 774244165 /nfs/dbraw/zinc/24/41/65/774244165.db2.gz WKHAHOCSYFFJMZ-NSHDSACASA-N 2 0 302.403 0.856 20 30 DCEDRP N#Cc1c2c(sc1NC(=O)C1=NO[C@@H]3C[NH2+]C[C@H]13)C[NH2+]CC2 ZINC001218552232 774244866 /nfs/dbraw/zinc/24/48/66/774244866.db2.gz CUVGBJOXFFGOBH-VHSXEESVSA-N 2 0 317.374 0.178 20 30 DCEDRP N#Cc1c(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)sc2c1CC[NH2+]C2 ZINC001218552666 774246065 /nfs/dbraw/zinc/24/60/65/774246065.db2.gz JFTXMDDVUNURNZ-KPXOXKRLSA-N 2 0 317.418 0.154 20 30 DCEDRP COc1ccc(C#N)cc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218978854 774340190 /nfs/dbraw/zinc/34/01/90/774340190.db2.gz FQUBQGQPIGAIBK-CYBMUJFWSA-N 2 0 317.393 0.256 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200547063 774366359 /nfs/dbraw/zinc/36/63/59/774366359.db2.gz LKBUFQJVSWAFGE-OWCLPIDISA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)CCCO1 ZINC001200636323 774381802 /nfs/dbraw/zinc/38/18/02/774381802.db2.gz YAFUYRBFJKNZGI-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001201037657 774443242 /nfs/dbraw/zinc/44/32/42/774443242.db2.gz NMUSDKSZFYPCGA-UHFFFAOYSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001201051939 774445433 /nfs/dbraw/zinc/44/54/33/774445433.db2.gz BKAHBTPMPPHMNF-INIZCTEOSA-N 2 0 322.453 0.209 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1 ZINC001201263346 774479928 /nfs/dbraw/zinc/47/99/28/774479928.db2.gz YZDSQHQTQLGLPP-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CCCO1 ZINC001201405070 774501937 /nfs/dbraw/zinc/50/19/37/774501937.db2.gz ZUYVKXQKCXOLOJ-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP N#C[C@@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)c1ccccc1 ZINC001219557476 774536513 /nfs/dbraw/zinc/53/65/13/774536513.db2.gz ANTDJWZOBZWAIU-LSDHHAIUSA-N 2 0 301.394 0.118 20 30 DCEDRP C[C@@H]1C[C@@H](CNC(=O)[C@H]2C[NH2+]C[C@@H]2c2ccccc2C#N)C[NH2+]1 ZINC001219685081 774579240 /nfs/dbraw/zinc/57/92/40/774579240.db2.gz WGEXNHARRZMUHM-KFZJALRRSA-N 2 0 312.417 0.975 20 30 DCEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219724391 774591584 /nfs/dbraw/zinc/59/15/84/774591584.db2.gz JPIQJKVZFAYQLH-KFWWJZLASA-N 2 0 315.433 0.794 20 30 DCEDRP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]cn1 ZINC001114387019 774827651 /nfs/dbraw/zinc/82/76/51/774827651.db2.gz HWIGHOIXQLTJCJ-FOLVSLTJSA-N 2 0 304.394 0.591 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001114425467 774856191 /nfs/dbraw/zinc/85/61/91/774856191.db2.gz DFIHEULOTUCOPG-LISAXSMJSA-N 2 0 319.449 0.557 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001114440850 774867786 /nfs/dbraw/zinc/86/77/86/774867786.db2.gz YEGNMMOYISBAOX-JJXSEGSLSA-N 2 0 307.438 0.269 20 30 DCEDRP CC#CCN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091156 774993210 /nfs/dbraw/zinc/99/32/10/774993210.db2.gz DKOXSHUJRRETOJ-PMPSAXMXSA-N 2 0 307.438 0.291 20 30 DCEDRP N#CC1(NC(=O)[C@@H]([NH3+])CSCC[NH3+])Cc2ccccc2C1 ZINC001221366952 775078218 /nfs/dbraw/zinc/07/82/18/775078218.db2.gz LNCADXGPOSOENN-ZDUSSCGKSA-N 2 0 304.419 0.183 20 30 DCEDRP C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCC)C2 ZINC001111308951 775727376 /nfs/dbraw/zinc/72/73/76/775727376.db2.gz FRHVYSZRWPKYGB-KFWWJZLASA-N 2 0 322.453 0.352 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001114662328 776017017 /nfs/dbraw/zinc/01/70/17/776017017.db2.gz HYSXNVNPYDVJPT-ZSHCYNCHSA-N 2 0 319.449 0.557 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001229254522 776174667 /nfs/dbraw/zinc/17/46/67/776174667.db2.gz VJGVLCPGSRXLIH-ZFWWWQNUSA-N 2 0 324.469 0.598 20 30 DCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001229354758 776183229 /nfs/dbraw/zinc/18/32/29/776183229.db2.gz MRPVHGBNQRGNKR-HZPDHXFCSA-N 2 0 307.438 0.747 20 30 DCEDRP COCC#CC[NH+]1CCC(C)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001278088737 945129893 /nfs/dbraw/zinc/12/98/93/945129893.db2.gz ZLQWREIOJILDDY-UHFFFAOYSA-N 2 0 319.449 0.703 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCN(C)C(=O)CCC[NH+](C)C)CC1 ZINC001317820722 945195749 /nfs/dbraw/zinc/19/57/49/945195749.db2.gz WUMVGVNCGKGPNJ-UHFFFAOYSA-N 2 0 310.486 0.980 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001266883960 939265487 /nfs/dbraw/zinc/26/54/87/939265487.db2.gz IHJFEHGHAFCVJF-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001266993729 939301276 /nfs/dbraw/zinc/30/12/76/939301276.db2.gz DSYQPLSGMISDSP-CABCVRRESA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001267071278 939331495 /nfs/dbraw/zinc/33/14/95/939331495.db2.gz UEZCJZRKRQOKBZ-CABCVRRESA-N 2 0 324.469 0.455 20 30 DCEDRP COCC#CC[NH2+]CCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001267455149 939460599 /nfs/dbraw/zinc/46/05/99/939460599.db2.gz MPQORAZQRMLXNS-UHFFFAOYSA-N 2 0 321.465 0.806 20 30 DCEDRP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+](CC#CCOC)C1 ZINC001481120848 939572366 /nfs/dbraw/zinc/57/23/66/939572366.db2.gz MUBSODYPMIDSBY-MRXNPFEDSA-N 2 0 309.454 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001267808993 939686506 /nfs/dbraw/zinc/68/65/06/939686506.db2.gz CLTQNYJSXWCTRR-UONOGXRCSA-N 2 0 310.442 0.257 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]C[C@H](C)OC)CC1 ZINC001268015748 939735080 /nfs/dbraw/zinc/73/50/80/939735080.db2.gz SBLRACGHYSDOOX-CABCVRRESA-N 2 0 309.454 0.708 20 30 DCEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001481538782 939925842 /nfs/dbraw/zinc/92/58/42/939925842.db2.gz SUUIYTLIMZPSGT-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCc1c[nH]cn1 ZINC001268283119 940018156 /nfs/dbraw/zinc/01/81/56/940018156.db2.gz YHIDOBXCLISHKJ-ZBFHGGJFSA-N 2 0 318.421 0.867 20 30 DCEDRP COCC#CC[NH+]1CCC(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001482052076 940233792 /nfs/dbraw/zinc/23/37/92/940233792.db2.gz ZPEIZQBLDAQQGD-KRWDZBQOSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268811617 940368913 /nfs/dbraw/zinc/36/89/13/940368913.db2.gz PHIIDZAMTWIGAB-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001270165810 940847738 /nfs/dbraw/zinc/84/77/38/940847738.db2.gz QNKOGLVCLFCUHT-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001270444066 940901766 /nfs/dbraw/zinc/90/17/66/940901766.db2.gz PEPXIMOYZNPXLY-AWEZNQCLSA-N 2 0 322.453 0.259 20 30 DCEDRP C#CCC[NH2+]C1CCN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001271932989 941483625 /nfs/dbraw/zinc/48/36/25/941483625.db2.gz YOPZITOTTSJZQE-KRWDZBQOSA-N 2 0 322.497 0.766 20 30 DCEDRP C#CCN1C[C@]2(CC[N@H+](Cc3c[nH]c4ccncc34)C2)OCC1=O ZINC001272674298 942940382 /nfs/dbraw/zinc/94/03/82/942940382.db2.gz YADROHSJKLNKKH-GOSISDBHSA-N 2 0 324.384 0.999 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CC[C@H]2CCOC2)CC1 ZINC001493807306 943429042 /nfs/dbraw/zinc/42/90/42/943429042.db2.gz ZLJYCTNEDYRKOI-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001484548317 943447495 /nfs/dbraw/zinc/44/74/95/943447495.db2.gz BLMRYSBYIWRWSC-HOTGVXAUSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001484839511 943589682 /nfs/dbraw/zinc/58/96/82/943589682.db2.gz LCOVWWYUUMZOER-NVXWUHKLSA-N 2 0 307.438 0.436 20 30 DCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001484854758 943601932 /nfs/dbraw/zinc/60/19/32/943601932.db2.gz WVMVZYIALRZTBS-KRWDZBQOSA-N 2 0 309.454 0.992 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001485154348 943721398 /nfs/dbraw/zinc/72/13/98/943721398.db2.gz DESBLBMPRUGEJQ-QWHCGFSZSA-N 2 0 310.442 0.256 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001491186732 943814764 /nfs/dbraw/zinc/81/47/64/943814764.db2.gz ZUKDKMMRYIBPOL-OAHLLOKOSA-N 2 0 322.453 0.213 20 30 DCEDRP C=CCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001494108486 944261702 /nfs/dbraw/zinc/26/17/02/944261702.db2.gz PUEOBMNZOQVDID-MRXNPFEDSA-N 2 0 308.470 0.590 20 30 DCEDRP C#CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001276780597 944298484 /nfs/dbraw/zinc/29/84/84/944298484.db2.gz ZFGCVLKRQLPJCS-HOTGVXAUSA-N 2 0 319.449 0.844 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@H](C)[NH2+]CCO)CC1 ZINC001316877216 944609843 /nfs/dbraw/zinc/60/98/43/944609843.db2.gz CIRKOFPHMDIRJZ-RDJZCZTQSA-N 2 0 321.465 0.683 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001486297349 944740140 /nfs/dbraw/zinc/74/01/40/944740140.db2.gz FDEAUVHCDIOZNH-ZDUSSCGKSA-N 2 0 303.834 0.490 20 30 DCEDRP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246312988 945380066 /nfs/dbraw/zinc/38/00/66/945380066.db2.gz QDAUCZHJBJYQMN-STQMWFEESA-N 2 0 313.467 0.650 20 30 DCEDRP C#CCOC[C@@H](O)C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC001251894327 945811020 /nfs/dbraw/zinc/81/10/20/945811020.db2.gz RQAPXCFFFOKGPW-INIZCTEOSA-N 2 0 306.406 0.727 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001278797710 946414233 /nfs/dbraw/zinc/41/42/33/946414233.db2.gz LGZJSWSUPUZTQF-SJORKVTESA-N 2 0 321.465 0.826 20 30 DCEDRP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001278809835 946428453 /nfs/dbraw/zinc/42/84/53/946428453.db2.gz HOXJETIKHXSZKN-WMZOPIPTSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001278859565 946492403 /nfs/dbraw/zinc/49/24/03/946492403.db2.gz DKZZJFYRRYVWMT-HZPDHXFCSA-N 2 0 309.454 0.635 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001321908021 946508289 /nfs/dbraw/zinc/50/82/89/946508289.db2.gz BRRUOFSVGODMMA-UONOGXRCSA-N 2 0 322.453 0.400 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(CC[N@H+](C)CCCO)C(C)C)CC1 ZINC001278929541 946611286 /nfs/dbraw/zinc/61/12/86/946611286.db2.gz HDBPAASNFIGOBZ-UHFFFAOYSA-N 2 0 323.481 0.883 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001324220059 947355278 /nfs/dbraw/zinc/35/52/78/947355278.db2.gz GYFMFMWBNSEFOZ-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001324641544 947488423 /nfs/dbraw/zinc/48/84/23/947488423.db2.gz LYESPJWKTOZKMA-XYJFISCASA-N 2 0 321.465 0.947 20 30 DCEDRP C=C(Cl)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001440629018 947556314 /nfs/dbraw/zinc/55/63/14/947556314.db2.gz VRNQQVXWXPZXMI-CYBMUJFWSA-N 2 0 315.845 0.776 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001273465704 947906949 /nfs/dbraw/zinc/90/69/49/947906949.db2.gz LTVHZAWIEFBKJV-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC001326589082 948205832 /nfs/dbraw/zinc/20/58/32/948205832.db2.gz NOMRCFGMNBZNSE-BYNSBNAKSA-N 2 0 308.426 0.895 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001327564331 948552794 /nfs/dbraw/zinc/55/27/94/948552794.db2.gz QKEDNFSVSGHLAG-INMHGKMJSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)C2CC[NH+](C(C)C)CC2)CCOCC1 ZINC001327669658 948590020 /nfs/dbraw/zinc/59/00/20/948590020.db2.gz JSBOREXGJUIJEP-UHFFFAOYSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001328217710 948752552 /nfs/dbraw/zinc/75/25/52/948752552.db2.gz MACMGNHJPAWXOK-UHFFFAOYSA-N 2 0 307.438 0.439 20 30 DCEDRP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001264079986 948870464 /nfs/dbraw/zinc/87/04/64/948870464.db2.gz DCTMMHXPXUTXOI-CVEARBPZSA-N 2 0 307.438 0.247 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001265483017 949719894 /nfs/dbraw/zinc/71/98/94/949719894.db2.gz GQQJKMFCFOOPRP-TUVASFSCSA-N 2 0 324.469 0.500 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001265493908 949726862 /nfs/dbraw/zinc/72/68/62/949726862.db2.gz GQQJKMFCFOOPRP-KBUPBQIOSA-N 2 0 324.469 0.500 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266012961 950251826 /nfs/dbraw/zinc/25/18/26/950251826.db2.gz OFOXFSXXPZJPGE-HZPDHXFCSA-N 2 0 309.454 0.661 20 30 DCEDRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)C[C@H]1C[NH+](C)C ZINC001330626195 950554361 /nfs/dbraw/zinc/55/43/61/950554361.db2.gz ZFGRYIOOKAMVON-OAGGEKHMSA-N 3 0 323.485 0.595 20 30 DCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC001330640277 950567542 /nfs/dbraw/zinc/56/75/42/950567542.db2.gz DPHDRJFAWVKLTI-MXWKQRLJSA-N 2 0 306.332 0.993 20 30 DCEDRP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001280172544 950782033 /nfs/dbraw/zinc/78/20/33/950782033.db2.gz HSXDXODFGDVVEX-INIZCTEOSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CCOC)CC1 ZINC001280462244 950886613 /nfs/dbraw/zinc/88/66/13/950886613.db2.gz KNTGOSXJIHFKOI-QGZVFWFLSA-N 2 0 321.465 0.949 20 30 DCEDRP C=C[C@H](CO)[NH2+]Cc1cc(C#N)cc(C[NH2+][C@H](C=C)CO)c1 ZINC000878996001 951224289 /nfs/dbraw/zinc/22/42/89/951224289.db2.gz XGPRQPPWWRCEJB-IAGOWNOFSA-N 2 0 301.390 0.831 20 30 DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001281144392 951326295 /nfs/dbraw/zinc/32/62/95/951326295.db2.gz CLZBEBZOQFLJSC-BQFCYCMXSA-N 2 0 321.465 0.683 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001332320222 951584522 /nfs/dbraw/zinc/58/45/22/951584522.db2.gz FLTGUSDDHIPMSQ-CVEARBPZSA-N 2 0 319.449 0.607 20 30 DCEDRP C#CC[NH2+]C[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C(C)(C)C ZINC001332900221 951842220 /nfs/dbraw/zinc/84/22/20/951842220.db2.gz SSAZZAQKVBYUAM-GJZGRUSLSA-N 2 0 309.454 0.708 20 30 DCEDRP C#CCC[NH2+]CC1CC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001275323798 952061685 /nfs/dbraw/zinc/06/16/85/952061685.db2.gz MGACCSULUOLGGE-FHERZECASA-N 2 0 307.438 0.462 20 30 DCEDRP C#CCN1CCC[C@@H](NC(=O)N2CCN([C@H]3CCOC3)CC2)C1 ZINC001333676607 952131118 /nfs/dbraw/zinc/13/11/18/952131118.db2.gz DYPXWNDXKSPUHE-CVEARBPZSA-N 2 0 320.437 0.200 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001275828245 952483783 /nfs/dbraw/zinc/48/37/83/952483783.db2.gz VYHXDFFVABGFSL-JKSUJKDBSA-N 2 0 309.454 0.946 20 30 DCEDRP C=CC[C@]1(C(=O)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)CCC[NH2+]1 ZINC001342605226 953298186 /nfs/dbraw/zinc/29/81/86/953298186.db2.gz VOEVVTXZZYZYAN-CXAGYDPISA-N 2 0 321.421 0.486 20 30 DCEDRP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001283079106 953986570 /nfs/dbraw/zinc/98/65/70/953986570.db2.gz XVMQABHZLPKYKS-CTYIDZIISA-N 2 0 305.426 0.729 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001316626212 954272133 /nfs/dbraw/zinc/27/21/33/954272133.db2.gz ZNPSBVWVCXFVTQ-OAGGEKHMSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001283617890 954485996 /nfs/dbraw/zinc/48/59/96/954485996.db2.gz MYFUBPUSVBWGAF-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H]1[NH+]1CCC(O)CC1 ZINC001348981283 954555479 /nfs/dbraw/zinc/55/54/79/954555479.db2.gz WYLPFHZUKSKWMK-HOTGVXAUSA-N 2 0 309.454 0.988 20 30 DCEDRP C=CCOCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001284016068 954781660 /nfs/dbraw/zinc/78/16/60/954781660.db2.gz IABRJKPEKGRALA-LSDHHAIUSA-N 2 0 307.438 0.864 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001480516738 956099603 /nfs/dbraw/zinc/09/96/03/956099603.db2.gz XIVKKZSADSRYHI-ZIAGYGMSSA-N 2 0 324.469 0.646 20 30 DCEDRP C=C(Br)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001367579169 958102832 /nfs/dbraw/zinc/10/28/32/958102832.db2.gz KPHZYXPDFVYNRR-MNOVXSKESA-N 2 0 320.231 0.056 20 30 DCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001316671646 959761781 /nfs/dbraw/zinc/76/17/81/959761781.db2.gz IGMLPDFSRQRVNU-JKSUJKDBSA-N 2 0 317.437 0.279 20 30 DCEDRP C=C(Br)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001379214704 962384776 /nfs/dbraw/zinc/38/47/76/962384776.db2.gz GLYQIMYBJMZZMT-GHMZBOCLSA-N 2 0 322.247 0.302 20 30 DCEDRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001369383181 964865181 /nfs/dbraw/zinc/86/51/81/964865181.db2.gz MOJNEXHNYHNZLU-HOTGVXAUSA-N 2 0 316.405 0.077 20 30 DCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001502873629 1016112444 /nfs/dbraw/zinc/11/24/44/1016112444.db2.gz WIMGJUIECQAKGQ-AWEZNQCLSA-N 2 0 315.433 0.795 20 30 DCEDRP C=CCCC[NH2+][C@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001507204026 1016120778 /nfs/dbraw/zinc/12/07/78/1016120778.db2.gz IOIAPBNSDQECCQ-HNNXBMFYSA-N 2 0 309.454 0.895 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001502897532 1016123129 /nfs/dbraw/zinc/12/31/29/1016123129.db2.gz NEPDFWGMGQDVFL-UHFFFAOYSA-N 2 0 321.465 0.829 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001507411585 1016310483 /nfs/dbraw/zinc/31/04/83/1016310483.db2.gz ROYGGGXHICCJGO-HZPDHXFCSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001507507902 1016433481 /nfs/dbraw/zinc/43/34/81/1016433481.db2.gz WFKRIEQXEIVFAS-JKSUJKDBSA-N 2 0 309.454 0.682 20 30 DCEDRP C=C(Cl)CN1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001402287416 1001179100 /nfs/dbraw/zinc/17/91/00/1001179100.db2.gz KKHYWOMBGXUOMH-GXTWGEPZSA-N 2 0 301.818 0.244 20 30 DCEDRP N#Cc1ccc(C[NH2+][C@H](CO)CNC(=O)C[NH+]2CCCC2)cc1 ZINC001403749075 1002464599 /nfs/dbraw/zinc/46/45/99/1002464599.db2.gz OVTDBJDMLBSJSH-INIZCTEOSA-N 2 0 316.405 0.221 20 30 DCEDRP C#CC[N@H+]1CC=C(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001508229888 1016726004 /nfs/dbraw/zinc/72/60/04/1016726004.db2.gz OMWOHHAVONXOCR-HNNXBMFYSA-N 2 0 305.422 0.336 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC001442675608 1009610541 /nfs/dbraw/zinc/61/05/41/1009610541.db2.gz AUBJPNCBQHGALH-UHFFFAOYSA-N 2 0 313.442 0.836 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC#CCOC)C1 ZINC001506907366 1017656910 /nfs/dbraw/zinc/65/69/10/1017656910.db2.gz RGSYEDBTYDLWCD-BRWVUGGUSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001499249928 1017779694 /nfs/dbraw/zinc/77/96/94/1017779694.db2.gz WUZPEULEHVXBIY-UHFFFAOYSA-N 2 0 308.426 0.011 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001499931668 1018141680 /nfs/dbraw/zinc/14/16/80/1018141680.db2.gz OVVSMMIZJOKKQK-MRXNPFEDSA-N 2 0 317.437 0.662 20 30 DCEDRP COCC#CC[NH+]1CCC(C)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001499997955 1018165066 /nfs/dbraw/zinc/16/50/66/1018165066.db2.gz YHTUXDUAWASHBP-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CC#CCOC)C2)C1 ZINC001480115183 1018218289 /nfs/dbraw/zinc/21/82/89/1018218289.db2.gz MBPKRCGSYVKSDA-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001480168156 1018276798 /nfs/dbraw/zinc/27/67/98/1018276798.db2.gz YADJUPOYTRPPDA-AJNGGQMLSA-N 2 0 322.453 0.256 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001495667345 1018637455 /nfs/dbraw/zinc/63/74/55/1018637455.db2.gz QJWMVXOGURQZFT-CVEARBPZSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001480674282 1018764113 /nfs/dbraw/zinc/76/41/13/1018764113.db2.gz MYGABGKDPPDAHT-JKSUJKDBSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001480784055 1018906986 /nfs/dbraw/zinc/90/69/86/1018906986.db2.gz QMJRBTMQWBQPNB-AWEZNQCLSA-N 2 0 322.453 0.095 20 30 DCEDRP CC#CC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001496098513 1019067114 /nfs/dbraw/zinc/06/71/14/1019067114.db2.gz VAGPCTYKQAJQNK-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP CC#CC[NH2+]CCCN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001498624551 1019278040 /nfs/dbraw/zinc/27/80/40/1019278040.db2.gz DGWVNALJPMTLEP-UHFFFAOYSA-N 2 0 305.426 0.520 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001501894841 1019540882 /nfs/dbraw/zinc/54/08/82/1019540882.db2.gz LHCIWOHKSDEWMA-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[NH+]1CCN(CCN(C)C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001494093036 1019977901 /nfs/dbraw/zinc/97/79/01/1019977901.db2.gz VHOSICPGTFWXQJ-UHFFFAOYSA-N 2 0 320.481 0.570 20 30 DCEDRP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001494179241 1020052388 /nfs/dbraw/zinc/05/23/88/1020052388.db2.gz CSDKRCUBXSBDIE-DLBZAZTESA-N 2 0 321.465 0.758 20 30 DCEDRP C[C@@H]1C[NH+]=C(NCc2ccc(CNC3=[NH+]C[C@@H](C)N3)cc2)N1 ZINC000262669225 238178867 /nfs/dbraw/zinc/17/88/67/238178867.db2.gz QHQFASLGBYJCHI-VXGBXAGGSA-N 2 0 300.410 0.561 20 30 DCEDRP COCCNC(=[NH2+])NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000264108508 533340204 /nfs/dbraw/zinc/34/02/04/533340204.db2.gz QCASMVFBLLOKCF-UHFFFAOYSA-N 2 0 319.453 0.749 20 30 DCEDRP C[NH+]=C(NCc1ccco1)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000103338423 395772530 /nfs/dbraw/zinc/77/25/30/395772530.db2.gz CSAMCQZDSGEOBW-CQSZACIVSA-N 2 0 307.442 0.828 20 30 DCEDRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)C1 ZINC000592145127 397103853 /nfs/dbraw/zinc/10/38/53/397103853.db2.gz ODSFMTULQDMVQY-HUUCEWRRSA-N 2 0 307.442 0.246 20 30 DCEDRP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2)C1 ZINC000598595230 397253297 /nfs/dbraw/zinc/25/32/97/397253297.db2.gz HFNSAOBPCHRIGM-CVEARBPZSA-N 2 0 308.470 0.999 20 30 DCEDRP COc1ccccc1CNC(=[NH2+])NCCCN(C)CC[NH+](C)C ZINC000288741305 415683113 /nfs/dbraw/zinc/68/31/13/415683113.db2.gz PGAYLMYDIOWWLC-UHFFFAOYSA-N 2 0 321.469 0.983 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](CC)C(C)C)CC1 ZINC000343767985 415719386 /nfs/dbraw/zinc/71/93/86/415719386.db2.gz RIRDYQSTNJBVAS-UHFFFAOYSA-N 2 0 324.469 0.600 20 30 DCEDRP C[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)C[NH+](C)C ZINC000291872864 415836418 /nfs/dbraw/zinc/83/64/18/415836418.db2.gz HNHPJRDRSJNYCJ-CYBMUJFWSA-N 2 0 305.430 0.111 20 30 DCEDRP C=CCN1CC[C@H]([NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C1=O ZINC000337150209 415916543 /nfs/dbraw/zinc/91/65/43/415916543.db2.gz IQSUUPKKPGRRJP-HNNXBMFYSA-N 2 0 322.453 0.163 20 30 DCEDRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000329652816 416183731 /nfs/dbraw/zinc/18/37/31/416183731.db2.gz DNQISVIYZIQRCC-RRFJBIMHSA-N 2 0 310.442 0.838 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000339632187 416161970 /nfs/dbraw/zinc/16/19/70/416161970.db2.gz PTBHQYAQXOLRAH-UHFFFAOYSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000491694031 416615501 /nfs/dbraw/zinc/61/55/01/416615501.db2.gz FAXGZKONHNZXMH-UHFFFAOYSA-N 2 0 316.405 0.416 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000569093054 417213749 /nfs/dbraw/zinc/21/37/49/417213749.db2.gz RTHBIRJAQIKGNP-HNNXBMFYSA-N 2 0 309.458 0.230 20 30 DCEDRP C=CCCn1cc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)nn1 ZINC000657305823 417846224 /nfs/dbraw/zinc/84/62/24/417846224.db2.gz MQTZVLIEPKRTBD-UHFFFAOYSA-N 2 0 306.458 0.970 20 30 DCEDRP C[C@H]1C[N@H+](CC#CC[NH+]2C[C@@H](C)[C@](C)(CO)C2)C[C@@]1(C)CO ZINC000662142635 418384129 /nfs/dbraw/zinc/38/41/29/418384129.db2.gz JHRMPSVVJIFSBL-MHORFTMASA-N 2 0 308.466 0.890 20 30 DCEDRP N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC[NH3+])CC2)cc1 ZINC000418293257 268217933 /nfs/dbraw/zinc/21/79/33/268217933.db2.gz DYBFKADRKGBIJL-UHFFFAOYSA-N 2 0 301.394 0.734 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000419725350 275744998 /nfs/dbraw/zinc/74/49/98/275744998.db2.gz IIXPQOONTOCPEI-HIFRSBDPSA-N 2 0 322.453 0.387 20 30 DCEDRP C[NH+]=C(NCc1ccco1)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000103338422 277005050 /nfs/dbraw/zinc/00/50/50/277005050.db2.gz CSAMCQZDSGEOBW-AWEZNQCLSA-N 2 0 307.442 0.828 20 30 DCEDRP CC[NH+]1CCC(NC(=O)C[N@H+](C)CC2(O)CCOCC2)CC1 ZINC000328619208 279256111 /nfs/dbraw/zinc/25/61/11/279256111.db2.gz VSZGQYPMJYYZHB-UHFFFAOYSA-N 2 0 313.442 0.901 20 30 DCEDRP C[NH+]1CCC(CNC(=[NH2+])NC2CCC2)(N2CCOCC2)CC1 ZINC000263027492 289874828 /nfs/dbraw/zinc/87/48/28/289874828.db2.gz AUWBQCIJJYCMJM-UHFFFAOYSA-N 2 0 309.458 0.240 20 30 DCEDRP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001656779496 1173882499 /nfs/dbraw/zinc/88/24/99/1173882499.db2.gz BDZXUGGYRGBJDJ-MRXNPFEDSA-N 2 0 309.454 0.800 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCC[NH2+]C(C)C)CC1 ZINC000519755182 335892974 /nfs/dbraw/zinc/89/29/74/335892974.db2.gz OGAOODWECHCBMT-UHFFFAOYSA-N 2 0 324.469 0.647 20 30 DCEDRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000329795243 336082605 /nfs/dbraw/zinc/08/26/05/336082605.db2.gz CQUDZJZXZHYAPP-SQWLQELKSA-N 2 0 323.485 0.609 20 30 DCEDRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1=O ZINC000329819340 336085800 /nfs/dbraw/zinc/08/58/00/336085800.db2.gz GCYYNHPYHBFUOS-KFWWJZLASA-N 2 0 322.453 0.980 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000104533738 336254292 /nfs/dbraw/zinc/25/42/92/336254292.db2.gz VTPSPIHUNNKDEN-UHFFFAOYSA-N 3 0 308.470 0.283 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000576874661 341867361 /nfs/dbraw/zinc/86/73/61/341867361.db2.gz ACRIYHDXNHQAFI-STQMWFEESA-N 2 0 310.442 0.385 20 30 DCEDRP CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC#CCOC)C1)[NH+](C)C ZINC001567739524 1160469692 /nfs/dbraw/zinc/46/96/92/1160469692.db2.gz ZZSBPMYTNOATEE-CVEARBPZSA-N 2 0 309.454 0.757 20 30 DCEDRP C[NH+]=C(NCC(=O)N1CCCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261969857 526346021 /nfs/dbraw/zinc/34/60/21/526346021.db2.gz MMYQSMVQOLHDJZ-GXTWGEPZSA-N 2 0 307.442 0.257 20 30 DCEDRP C[NH+]=C(NCC[NH+]1CCCCC1)NC[C@@]1(O)CCSC1 ZINC000262838546 526356081 /nfs/dbraw/zinc/35/60/81/526356081.db2.gz QZIZZRVEXYDMKA-AWEZNQCLSA-N 2 0 300.472 0.505 20 30 DCEDRP CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000185531019 527385944 /nfs/dbraw/zinc/38/59/44/527385944.db2.gz KWNPULSNMXIVFW-QWHCGFSZSA-N 2 0 309.458 0.643 20 30 DCEDRP CC(C)[N@H+](C)CCCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264105306 528816454 /nfs/dbraw/zinc/81/64/54/528816454.db2.gz PDFSLDZYZGAIEU-UHFFFAOYSA-N 2 0 319.457 0.644 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ncccc1F ZINC000269476098 529071234 /nfs/dbraw/zinc/07/12/34/529071234.db2.gz NDBOQZVIGHZFHY-GFCCVEGCSA-N 2 0 309.389 0.988 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(=O)OC)o1 ZINC000276684883 529074501 /nfs/dbraw/zinc/07/45/01/529074501.db2.gz UHTNMSBOHFPDKS-LLVKDONJSA-N 2 0 308.382 0.955 20 30 DCEDRP C[NH+]1CCC(CCNC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000329590328 546051858 /nfs/dbraw/zinc/05/18/58/546051858.db2.gz TUFHBJJUUMLQOK-UHFFFAOYSA-N 2 0 312.458 0.679 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC#CCOC)CC[N@@H+]1C ZINC001668065290 1174753135 /nfs/dbraw/zinc/75/31/35/1174753135.db2.gz JEDDEGHHTWXJIV-HRCADAONSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]([C@H](C)[NH2+]CC)C2)CC1 ZINC000979461951 660752809 /nfs/dbraw/zinc/75/28/09/660752809.db2.gz SYUMYYBDWJISPL-GOEBONIOSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2cccnc2)N(C)C)C1 ZINC000980501834 660950248 /nfs/dbraw/zinc/95/02/48/660950248.db2.gz DIMZIZXSZGKLNA-JKSUJKDBSA-N 2 0 300.406 0.850 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028036822 661093433 /nfs/dbraw/zinc/09/34/33/661093433.db2.gz IAACDTXKKKRTHO-GARNVTTQSA-N 2 0 317.433 0.454 20 30 DCEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000972522933 657579074 /nfs/dbraw/zinc/57/90/74/657579074.db2.gz QHVWBJPDQTVPGE-HNNXBMFYSA-N 2 0 305.426 0.777 20 30 DCEDRP C#CC[NH2+][C@H]1CN(C(=O)c2cc(CN3CCCC3)on2)C[C@H]1C ZINC000939147981 665502611 /nfs/dbraw/zinc/50/26/11/665502611.db2.gz QKLHNTTWTMLLRQ-CJNGLKHVSA-N 2 0 316.405 0.954 20 30 DCEDRP C#CCCN1CCO[C@@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC000972552647 657763934 /nfs/dbraw/zinc/76/39/34/657763934.db2.gz QQPRDBGIQAFGBR-AEFFLSMTSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CCN1CCO[C@@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC000972552625 657764508 /nfs/dbraw/zinc/76/45/08/657764508.db2.gz QJXSGINPXVXPOY-RDJZCZTQSA-N 2 0 305.422 0.265 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(CN(C)C)on2)C[C@@H]1C ZINC000947471375 657823902 /nfs/dbraw/zinc/82/39/02/657823902.db2.gz BJCXLTBDWGNSOB-QWHCGFSZSA-N 2 0 304.394 0.952 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(CN(C)C)on2)C[C@H]1C ZINC000947471373 657824619 /nfs/dbraw/zinc/82/46/19/657824619.db2.gz BJCXLTBDWGNSOB-CHWSQXEVSA-N 2 0 304.394 0.952 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2CC#C)C1 ZINC001023424137 657846821 /nfs/dbraw/zinc/84/68/21/657846821.db2.gz PNZNQANSFLPPRI-IRXDYDNUSA-N 2 0 301.434 0.936 20 30 DCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000999180193 665594891 /nfs/dbraw/zinc/59/48/91/665594891.db2.gz FXMVRQAYXJAOSH-CQSZACIVSA-N 2 0 303.410 0.272 20 30 DCEDRP C#CCCN1CCO[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000972431611 658760007 /nfs/dbraw/zinc/76/00/07/658760007.db2.gz SLZNMEDXJGOHID-WBVHZDCISA-N 2 0 307.438 0.653 20 30 DCEDRP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCN3CCOCC3)C[C@@H]12 ZINC001026378173 659259436 /nfs/dbraw/zinc/25/94/36/659259436.db2.gz UMERZQJUFXWDPO-BZUAXINKSA-N 2 0 307.438 0.721 20 30 DCEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000999759076 665683721 /nfs/dbraw/zinc/68/37/21/665683721.db2.gz AFXWHUFGNZMQAX-GWUWNPHMSA-N 2 0 305.422 0.616 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000896209268 662252295 /nfs/dbraw/zinc/25/22/95/662252295.db2.gz WMPBXWHWSPKREN-UHFFFAOYSA-N 2 0 307.438 0.864 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC#C)CC1(C)C ZINC000940807465 665851026 /nfs/dbraw/zinc/85/10/26/665851026.db2.gz PTNBNCLFNPTZHG-JKSUJKDBSA-N 2 0 301.434 0.934 20 30 DCEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@H](C2CC2)N2CCOCC2)CC1 ZINC000985799862 662514836 /nfs/dbraw/zinc/51/48/36/662514836.db2.gz OKWYFGFOFURCGI-KRWDZBQOSA-N 2 0 319.449 0.653 20 30 DCEDRP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000988855213 662868107 /nfs/dbraw/zinc/86/81/07/662868107.db2.gz NCAJCMQDWYTLOR-KBPBESRZSA-N 2 0 305.426 0.823 20 30 DCEDRP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000989543384 662957229 /nfs/dbraw/zinc/95/72/29/662957229.db2.gz KZNXWYRCWXNSRZ-ZFWWWQNUSA-N 2 0 305.426 0.823 20 30 DCEDRP C#CCN1CCC[C@H](NC(=S)NCC2CC[NH+](C)CC2)C1 ZINC000905570860 663565180 /nfs/dbraw/zinc/56/51/80/663565180.db2.gz LTOUDVAQHQJEGK-HNNXBMFYSA-N 2 0 308.495 0.890 20 30 DCEDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)CC(C)(C)C#N ZINC000914059738 664745713 /nfs/dbraw/zinc/74/57/13/664745713.db2.gz ONUFIUVZMPFEMV-UHFFFAOYSA-N 2 0 304.460 0.291 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000916841754 665096766 /nfs/dbraw/zinc/09/67/66/665096766.db2.gz HXXZYADPAJTDBQ-HOTGVXAUSA-N 2 0 320.437 0.246 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC#C)[C@H]2C)CC1 ZINC000994493639 665116398 /nfs/dbraw/zinc/11/63/98/665116398.db2.gz FBBMESHJLVZQCW-DOTOQJQBSA-N 2 0 301.434 0.934 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033279726 666659615 /nfs/dbraw/zinc/65/96/15/666659615.db2.gz WQXFGNRXODWLTP-DGNOSDGRSA-N 2 0 305.422 0.568 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC001033682084 666793314 /nfs/dbraw/zinc/79/33/14/666793314.db2.gz ACDJLHJIXRAXGK-INIZCTEOSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CC#CC)C2)CC1 ZINC001033685953 666795333 /nfs/dbraw/zinc/79/53/33/666795333.db2.gz XXUBZKNRDUCBIZ-QGZVFWFLSA-N 2 0 301.434 0.888 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](C[C@H](C)O)C2)CC1 ZINC001034537989 667063770 /nfs/dbraw/zinc/06/37/70/667063770.db2.gz GWLBSTHZEOFZTP-DOTOQJQBSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CC#C)C2)CC1 ZINC001034538309 667064274 /nfs/dbraw/zinc/06/42/74/667064274.db2.gz LNNIYTNCNUUXKK-KRWDZBQOSA-N 2 0 301.434 0.936 20 30 DCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[C@@H]([NH+]3CCCC3)C1)C2 ZINC000884209534 667499734 /nfs/dbraw/zinc/49/97/34/667499734.db2.gz CCCWJYZWBPRMEY-KRIMKBQASA-N 2 0 302.422 0.822 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000884642716 667581204 /nfs/dbraw/zinc/58/12/04/667581204.db2.gz PQFOEWRYFUBSNJ-ZIAGYGMSSA-N 2 0 322.453 0.196 20 30 DCEDRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(C#N)ccn2)C[C@H]1C[NH+](C)C ZINC000870018938 667698548 /nfs/dbraw/zinc/69/85/48/667698548.db2.gz JADPFTHLRIHFEZ-HUUCEWRRSA-N 2 0 315.421 0.765 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870941155 667776391 /nfs/dbraw/zinc/77/63/91/667776391.db2.gz RLKFLYXIHZBNDQ-MNOVXSKESA-N 2 0 305.407 0.451 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000764499005 668450110 /nfs/dbraw/zinc/45/01/10/668450110.db2.gz JUYWZAGYAMVLFW-UHFFFAOYSA-N 2 0 304.394 0.857 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000876783570 668510631 /nfs/dbraw/zinc/51/06/31/668510631.db2.gz HFZXCHVYBOOQDI-KBPBESRZSA-N 2 0 314.861 0.695 20 30 DCEDRP COCC[NH2+]CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876792246 668512052 /nfs/dbraw/zinc/51/20/52/668512052.db2.gz UQXNXRZVYGKCGI-OAHLLOKOSA-N 2 0 302.378 0.097 20 30 DCEDRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876801407 668514019 /nfs/dbraw/zinc/51/40/19/668514019.db2.gz BWYIRFSTNPCIDJ-VXGBXAGGSA-N 2 0 319.434 0.760 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000876880201 668526935 /nfs/dbraw/zinc/52/69/35/668526935.db2.gz GIPWHWWHZUSFEB-CYBMUJFWSA-N 2 0 302.850 0.552 20 30 DCEDRP [NH3+]C[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)C[C@@H]1C(F)(F)F ZINC000877359194 668608799 /nfs/dbraw/zinc/60/87/99/668608799.db2.gz ZHXFVSYYICFMPY-RYUDHWBXSA-N 2 0 303.328 0.585 20 30 DCEDRP C[NH+](C)C1CCN(CCNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852870748 671180682 /nfs/dbraw/zinc/18/06/82/671180682.db2.gz XCIJKCHXVIVMMP-UHFFFAOYSA-N 2 0 306.454 0.132 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)N1CCOCC1 ZINC000303772285 685206484 /nfs/dbraw/zinc/20/64/84/685206484.db2.gz DLSFWKLWPZOASH-AWEZNQCLSA-N 2 0 311.474 0.486 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000303881348 685207897 /nfs/dbraw/zinc/20/78/97/685207897.db2.gz KVCLVIOTZNQSDE-CVEARBPZSA-N 3 0 324.517 0.259 20 30 DCEDRP CCC[N@@H+]1CC[C@@H](CNC(NCCN2CCOCC2)=[NH+]C)C1 ZINC000303886290 685208220 /nfs/dbraw/zinc/20/82/20/685208220.db2.gz NPYNUOVWSDSNCU-HNNXBMFYSA-N 2 0 311.474 0.216 20 30 DCEDRP C#CC[N@H+]1C[C@@H](CNC(=O)c2sccc2C[NH+](C)C)[C@H](O)C1 ZINC000958118005 687359300 /nfs/dbraw/zinc/35/93/00/687359300.db2.gz YAFJZWYHZMURFE-ZIAGYGMSSA-N 2 0 321.446 0.465 20 30 DCEDRP C=CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214494 687446527 /nfs/dbraw/zinc/44/65/27/687446527.db2.gz IIIZJNGQDYTMHY-CABCVRRESA-N 2 0 307.438 0.600 20 30 DCEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC000958262110 687490754 /nfs/dbraw/zinc/49/07/54/687490754.db2.gz GXRXYDWLICCGCE-GDBMZVCRSA-N 2 0 314.389 0.933 20 30 DCEDRP C=CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958266665 687495271 /nfs/dbraw/zinc/49/52/71/687495271.db2.gz BBNDSHCQQAAUCC-HIFRSBDPSA-N 2 0 300.362 0.543 20 30 DCEDRP C=CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC000958343500 687562042 /nfs/dbraw/zinc/56/20/42/687562042.db2.gz AQMZNKQHBSNYBW-CABCVRRESA-N 2 0 321.421 0.940 20 30 DCEDRP C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000958717103 687871570 /nfs/dbraw/zinc/87/15/70/687871570.db2.gz PFBHXVWDNCGBAN-IRXDYDNUSA-N 2 0 315.417 0.404 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015826237 692457487 /nfs/dbraw/zinc/45/74/87/692457487.db2.gz COKZGKIBMWMRSJ-HNNXBMFYSA-N 2 0 305.426 0.825 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@@H](C)OC)C2)CC1 ZINC001016335598 692655663 /nfs/dbraw/zinc/65/56/63/692655663.db2.gz FEDPZPYGXBJKPW-GDBMZVCRSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](CCOC)C3)CC1 ZINC001073456124 694729004 /nfs/dbraw/zinc/72/90/04/694729004.db2.gz WYBDPBCJMOOKFT-UHFFFAOYSA-N 2 0 319.449 0.512 20 30 DCEDRP C=CCCC[NH+]1CC(N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001570404349 1162505904 /nfs/dbraw/zinc/50/59/04/1162505904.db2.gz UZTWSHLZCABSCW-UHFFFAOYSA-N 2 0 308.470 0.733 20 30 DCEDRP C=C(C)CC[NH+]1CC[C@](O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001672024139 1157435765 /nfs/dbraw/zinc/43/57/65/1157435765.db2.gz GEZHLRXHMINEPW-RDJZCZTQSA-N 2 0 309.454 0.847 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CC ZINC001670586911 1157466384 /nfs/dbraw/zinc/46/63/84/1157466384.db2.gz CIBDIUHLBISXKL-LSDHHAIUSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001752681434 1158122156 /nfs/dbraw/zinc/12/21/56/1158122156.db2.gz HMIUIPMDQXQDMQ-IHRRRGAJSA-N 2 0 308.426 0.010 20 30 DCEDRP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)CCO1 ZINC001752843270 1158318059 /nfs/dbraw/zinc/31/80/59/1158318059.db2.gz AFSQMDCLQQPYQC-ARKGTOAJSA-N 2 0 307.438 0.718 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127082033 1158436221 /nfs/dbraw/zinc/43/62/21/1158436221.db2.gz JTOYXKVDOASROA-KGLIPLIRSA-N 2 0 310.442 0.256 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001670867891 1158439351 /nfs/dbraw/zinc/43/93/51/1158439351.db2.gz BZGOJLHUIVZBHK-UHFFFAOYSA-N 2 0 322.453 0.259 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001565854591 1159912497 /nfs/dbraw/zinc/91/24/97/1159912497.db2.gz JSJNQBWJHXRFEQ-OWCLPIDISA-N 2 0 309.454 0.707 20 30 DCEDRP COCC#CC[NH+]1CCC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001566612649 1160093794 /nfs/dbraw/zinc/09/37/94/1160093794.db2.gz BZEWATCLDHWSHA-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001566793397 1160154885 /nfs/dbraw/zinc/15/48/85/1160154885.db2.gz QLXQCFKTYXIPLC-JYJNAYRXSA-N 2 0 307.438 0.747 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001566902959 1160180884 /nfs/dbraw/zinc/18/08/84/1160180884.db2.gz DYOPEZGGZWPLMH-LSDHHAIUSA-N 2 0 324.469 0.457 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567402695 1160349676 /nfs/dbraw/zinc/34/96/76/1160349676.db2.gz GRSLUTMNRUEOJN-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCOC)CC1 ZINC001568106476 1160578189 /nfs/dbraw/zinc/57/81/89/1160578189.db2.gz YEJJGEKEDAFNBH-JYJNAYRXSA-N 2 0 307.438 0.747 20 30 DCEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#CCOC)[C@@H](C)C1 ZINC001568369728 1160636958 /nfs/dbraw/zinc/63/69/58/1160636958.db2.gz VLIUOBKVVACTBI-HOTGVXAUSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001568580436 1160692934 /nfs/dbraw/zinc/69/29/34/1160692934.db2.gz AYSBBKHBMLZTTR-ZACQAIPSSA-N 2 0 317.433 0.585 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001569081347 1160937720 /nfs/dbraw/zinc/93/77/20/1160937720.db2.gz IUHGHSAYSLHQNO-UONOGXRCSA-N 2 0 324.469 0.197 20 30 DCEDRP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001569579616 1161155144 /nfs/dbraw/zinc/15/51/44/1161155144.db2.gz NERXZLJKIMFNIP-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@H](C[NH2+]CC(=C)C)C2)CC1 ZINC001570163367 1161462169 /nfs/dbraw/zinc/46/21/69/1161462169.db2.gz HYFOKDMAXPTPJM-QGZVFWFLSA-N 2 0 319.449 0.725 20 30 DCEDRP CC#CC[C@H]([NH3+])C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001574962343 1163821654 /nfs/dbraw/zinc/82/16/54/1163821654.db2.gz JVQXVFFJYRTZCN-KRWDZBQOSA-N 2 0 320.481 0.744 20 30 DCEDRP N#CC1(C[C@H](O)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)CCOCC1 ZINC001580038555 1165480796 /nfs/dbraw/zinc/48/07/96/1165480796.db2.gz OEXSPASZYJHPDQ-HOTGVXAUSA-N 2 0 322.453 0.037 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001649450391 1173136754 /nfs/dbraw/zinc/13/67/54/1173136754.db2.gz NSUANLIHASAFPO-LSDHHAIUSA-N 2 0 322.453 0.045 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001649450390 1173137053 /nfs/dbraw/zinc/13/70/53/1173137053.db2.gz NSUANLIHASAFPO-HUUCEWRRSA-N 2 0 322.453 0.045 20 30 DCEDRP CC#CCN1CC[NH+](CCCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001660904144 1174065495 /nfs/dbraw/zinc/06/54/95/1174065495.db2.gz DAHHWVVOXFDRJE-UHFFFAOYSA-N 2 0 308.470 0.475 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CC[C@@H]2CCOC2)CC1 ZINC001662424915 1174209223 /nfs/dbraw/zinc/20/92/23/1174209223.db2.gz OWJSCYULKYQJSK-HZPDHXFCSA-N 2 0 321.465 0.853 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001662564928 1174217830 /nfs/dbraw/zinc/21/78/30/1174217830.db2.gz WPJHJFKOVRXVAJ-KBPBESRZSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001662723832 1174235067 /nfs/dbraw/zinc/23/50/67/1174235067.db2.gz XNAKDEIDPFWIHG-CABCVRRESA-N 2 0 322.453 0.211 20 30 DCEDRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CC#CCOC)C1 ZINC001662792111 1174241493 /nfs/dbraw/zinc/24/14/93/1174241493.db2.gz VIDJHLUQTYUMMN-HOTGVXAUSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCCN(C)[C@H](C)C(=O)NCCC ZINC001663201031 1174274411 /nfs/dbraw/zinc/27/44/11/1174274411.db2.gz IXICGSBARWSRPE-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001663498431 1174309260 /nfs/dbraw/zinc/30/92/60/1174309260.db2.gz SFZYNQSFAUHZMY-SJORKVTESA-N 2 0 319.449 0.559 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001666747909 1174634300 /nfs/dbraw/zinc/63/43/00/1174634300.db2.gz TUCLZAVOZWEVGR-AWEZNQCLSA-N 2 0 322.453 0.401 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCOC)CC1 ZINC001667769735 1174709404 /nfs/dbraw/zinc/70/94/04/1174709404.db2.gz IJRKLQZFQBNEKB-SJORKVTESA-N 2 0 321.465 0.853 20 30 DCEDRP COCC#CC[NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001668829013 1174845787 /nfs/dbraw/zinc/84/57/87/1174845787.db2.gz VNSOHOAOHJZJJV-YPQKKHBXSA-N 2 0 305.422 0.240 20 30 DCEDRP C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001672701819 1175145402 /nfs/dbraw/zinc/14/54/02/1175145402.db2.gz GTKHIHRMBZFSJD-HOTGVXAUSA-N 2 0 309.454 0.541 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001673898869 1175239728 /nfs/dbraw/zinc/23/97/28/1175239728.db2.gz XWOAMUUOPKHDET-LSDHHAIUSA-N 2 0 307.438 0.415 20 30 DCEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC#CC[NH+](C)C)C1 ZINC001675861696 1175397130 /nfs/dbraw/zinc/39/71/30/1175397130.db2.gz AARLEFKJUTWFDA-HNNXBMFYSA-N 2 0 310.442 0.207 20 30 DCEDRP C#CC[NH2+]CCCOCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001676183102 1175426831 /nfs/dbraw/zinc/42/68/31/1175426831.db2.gz GJEXTBSKQZAACN-JKSUJKDBSA-N 2 0 307.438 0.749 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001676360755 1175440323 /nfs/dbraw/zinc/44/03/23/1175440323.db2.gz XKUSESDGXNCYDP-ZIAGYGMSSA-N 2 0 324.469 0.598 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001676414238 1175444526 /nfs/dbraw/zinc/44/45/26/1175444526.db2.gz XPGIANSBOXFAGD-ZIAGYGMSSA-N 2 0 324.469 0.455 20 30 DCEDRP C=C(C)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001689137562 1176704302 /nfs/dbraw/zinc/70/43/02/1176704302.db2.gz VJCUPRGEBXMTRF-ZDUSSCGKSA-N 2 0 319.409 0.558 20 30 DCEDRP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)CCCn2ccnc2)C1 ZINC001689210903 1176744721 /nfs/dbraw/zinc/74/47/21/1176744721.db2.gz XEZXNPGJRSKFKY-INIZCTEOSA-N 2 0 318.421 0.582 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001691947561 1177388834 /nfs/dbraw/zinc/38/88/34/1177388834.db2.gz FJQBBIZEXXHSPW-ARFHVFGLSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001692238770 1177456424 /nfs/dbraw/zinc/45/64/24/1177456424.db2.gz YAVKLYQORMDDFF-INIZCTEOSA-N 2 0 321.465 0.779 20 30 DCEDRP C#CCC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001692241244 1177457153 /nfs/dbraw/zinc/45/71/53/1177457153.db2.gz HELMWTISWFXHHU-SJORKVTESA-N 2 0 321.465 0.637 20 30 DCEDRP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)COC1CC[NH+](C)CC1 ZINC001698873549 1177701923 /nfs/dbraw/zinc/70/19/23/1177701923.db2.gz GJWGWKWKGVOYQF-OAHLLOKOSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]C[C@H](C)O)C2CC2)CC1 ZINC001699603602 1178213271 /nfs/dbraw/zinc/21/32/71/1178213271.db2.gz RNSOAOIMRROWDO-XJKSGUPXSA-N 2 0 307.438 0.197 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001699738045 1178271424 /nfs/dbraw/zinc/27/14/24/1178271424.db2.gz JRYHHMDHBVDHLS-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCC[NH2+]C1CCN(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001699995143 1178414185 /nfs/dbraw/zinc/41/41/85/1178414185.db2.gz KPGXWWZHXQGCEQ-KRWDZBQOSA-N 2 0 320.481 0.664 20 30 DCEDRP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001700319727 1178579712 /nfs/dbraw/zinc/57/97/12/1178579712.db2.gz DTWIIEIKSHVFAH-GJZGRUSLSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001700348958 1178590428 /nfs/dbraw/zinc/59/04/28/1178590428.db2.gz VWUXIVILKYDREF-HNNXBMFYSA-N 2 0 322.453 0.355 20 30 DCEDRP C#CC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001700507969 1178642323 /nfs/dbraw/zinc/64/23/23/1178642323.db2.gz MQLYLRKSGIICMI-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+]CCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001700683645 1178704333 /nfs/dbraw/zinc/70/43/33/1178704333.db2.gz GLNHIXSFOSBUNV-HNNXBMFYSA-N 2 0 307.438 0.607 20 30 DCEDRP C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001700788783 1178744405 /nfs/dbraw/zinc/74/44/05/1178744405.db2.gz APGYBXFVFSPDFI-LSDHHAIUSA-N 2 0 307.438 0.341 20 30 DCEDRP COCC#CC[NH+]1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001713056656 1180653668 /nfs/dbraw/zinc/65/36/68/1180653668.db2.gz KDPICZGNGIBLBQ-UHFFFAOYSA-N 2 0 309.454 0.899 20 30 DCEDRP C#CC[NH2+][C@@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001713115149 1180687172 /nfs/dbraw/zinc/68/71/72/1180687172.db2.gz FWKPGTQYCJUALT-INIZCTEOSA-N 2 0 309.373 0.999 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2)C1=O ZINC001713205849 1180718831 /nfs/dbraw/zinc/71/88/31/1180718831.db2.gz SSKOFGMPWNVABA-LXTVHRRPSA-N 2 0 322.453 0.350 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001713542210 1180913188 /nfs/dbraw/zinc/91/31/88/1180913188.db2.gz SAFFDSXDGXTQCP-INIZCTEOSA-N 2 0 309.454 0.806 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001714142330 1181261685 /nfs/dbraw/zinc/26/16/85/1181261685.db2.gz RVYRZZGWFJMRDB-HUUCEWRRSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001714814373 1181559671 /nfs/dbraw/zinc/55/96/71/1181559671.db2.gz JKKAJYYPPMEQNH-JKSUJKDBSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001715528646 1181843626 /nfs/dbraw/zinc/84/36/26/1181843626.db2.gz DPGLMJJZUBYSMA-HOTGVXAUSA-N 2 0 309.454 0.757 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001715598068 1181886472 /nfs/dbraw/zinc/88/64/72/1181886472.db2.gz JAPNHEUWQDPVEO-SJORKVTESA-N 2 0 321.465 0.874 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001716255101 1182279293 /nfs/dbraw/zinc/27/92/93/1182279293.db2.gz HQWYYQPMMCYHBB-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001716400126 1182375406 /nfs/dbraw/zinc/37/54/06/1182375406.db2.gz WTNFFHYXLRKHAZ-UKRRQHHQSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716436828 1182389967 /nfs/dbraw/zinc/38/99/67/1182389967.db2.gz KYWCXVJXXCVQBA-AWEZNQCLSA-N 2 0 322.453 0.095 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001716465995 1182400739 /nfs/dbraw/zinc/40/07/39/1182400739.db2.gz RMLOIELMQBARNW-HOTGVXAUSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716542438 1182433123 /nfs/dbraw/zinc/43/31/23/1182433123.db2.gz FFVPKXVOQPUOMU-RBSFLKMASA-N 2 0 324.469 0.455 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001716771438 1182519278 /nfs/dbraw/zinc/51/92/78/1182519278.db2.gz VBSIIDMZWFLSGC-CABCVRRESA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001716771440 1182519479 /nfs/dbraw/zinc/51/94/79/1182519479.db2.gz VBSIIDMZWFLSGC-HUUCEWRRSA-N 2 0 322.453 0.354 20 30 DCEDRP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001716874576 1182555501 /nfs/dbraw/zinc/55/55/01/1182555501.db2.gz MGJXRXMGSPDRPV-FUHWJXTLSA-N 2 0 321.465 0.806 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001716926110 1182580739 /nfs/dbraw/zinc/58/07/39/1182580739.db2.gz LEAHIAUGEVITOI-FUHWJXTLSA-N 2 0 321.465 0.826 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001716975336 1182608051 /nfs/dbraw/zinc/60/80/51/1182608051.db2.gz LQYJDAIABVSJCY-HUUCEWRRSA-N 2 0 324.469 0.455 20 30 DCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001717254751 1182751675 /nfs/dbraw/zinc/75/16/75/1182751675.db2.gz LIHYLLBCWYKPHF-MRXNPFEDSA-N 2 0 307.438 0.744 20 30 DCEDRP C#CCC[NH2+]CC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001717268154 1182758457 /nfs/dbraw/zinc/75/84/57/1182758457.db2.gz OXYIOVXMGKYNHF-HNNXBMFYSA-N 2 0 307.438 0.607 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001717279170 1182764141 /nfs/dbraw/zinc/76/41/41/1182764141.db2.gz INZVHCZDUUYXLK-KGLIPLIRSA-N 2 0 322.453 0.209 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001717394093 1182818653 /nfs/dbraw/zinc/81/86/53/1182818653.db2.gz XQEPAZNVWMLPEU-WLYUNCDWSA-N 2 0 322.453 0.115 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+][C@@H](C)COC)C2)CC1 ZINC001718001096 1183102148 /nfs/dbraw/zinc/10/21/48/1183102148.db2.gz ZSVABSUYRLWMDC-OOHWJJMZSA-N 2 0 321.465 0.946 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)CC[NH+](C)C)C1=O ZINC001723975281 1184365041 /nfs/dbraw/zinc/36/50/41/1184365041.db2.gz UUEHHPUNLBQKHS-LSDHHAIUSA-N 2 0 322.453 0.306 20 30 DCEDRP C=CC[NH2+]C1CCN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001724632209 1184482973 /nfs/dbraw/zinc/48/29/73/1184482973.db2.gz RHZYRJPPXSAVSA-INIZCTEOSA-N 2 0 310.486 0.929 20 30 DCEDRP C=C(C)C[NH2+]C1CCN(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001724633714 1184484121 /nfs/dbraw/zinc/48/41/21/1184484121.db2.gz WLOYFLSOXSEWAR-UHFFFAOYSA-N 2 0 308.470 0.829 20 30 DCEDRP C#CC[NH2+]CC[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001724734273 1184538496 /nfs/dbraw/zinc/53/84/96/1184538496.db2.gz RNRQJXJBMGBTFF-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP COCC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001724757677 1184543757 /nfs/dbraw/zinc/54/37/57/1184543757.db2.gz RHPJUDMXYNCFRP-INIZCTEOSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001724905672 1184612903 /nfs/dbraw/zinc/61/29/03/1184612903.db2.gz ONURRYDNDULTJU-KRWDZBQOSA-N 2 0 319.449 0.581 20 30 DCEDRP CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001725529063 1184860921 /nfs/dbraw/zinc/86/09/21/1184860921.db2.gz BGJVXCVIICPXCJ-HOTGVXAUSA-N 2 0 321.465 0.731 20 30 DCEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001725764965 1184985856 /nfs/dbraw/zinc/98/58/56/1184985856.db2.gz CULPEQAHALQJAP-HOTGVXAUSA-N 2 0 309.454 0.539 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)C[C@@H]2CCCCO2)CC1 ZINC001731796300 1185492900 /nfs/dbraw/zinc/49/29/00/1185492900.db2.gz ZTGYUNOUPJKQME-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001732398885 1185798799 /nfs/dbraw/zinc/79/87/99/1185798799.db2.gz LPHHTMIZVFNTGO-CQSZACIVSA-N 2 0 322.453 0.259 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001733014122 1186104092 /nfs/dbraw/zinc/10/40/92/1186104092.db2.gz YNWPMEZNBNJZNE-LSDHHAIUSA-N 2 0 322.453 0.093 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001733146296 1186163167 /nfs/dbraw/zinc/16/31/67/1186163167.db2.gz HLYGUDYMWXCBOG-GASCZTMLSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001733482492 1186290049 /nfs/dbraw/zinc/29/00/49/1186290049.db2.gz JDZWCMXCFTXUNY-UXLLHSPISA-N 2 0 309.454 0.846 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2(O)C[NH+](C[C@H](C)CC)C2)CC1 ZINC001733511889 1186318842 /nfs/dbraw/zinc/31/88/42/1186318842.db2.gz ZBKWFNUAALNEIV-OAHLLOKOSA-N 2 0 321.465 0.541 20 30 DCEDRP C=CCNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001733602591 1186356422 /nfs/dbraw/zinc/35/64/22/1186356422.db2.gz ZFHDRIGPLVQBSD-LSDHHAIUSA-N 2 0 322.453 0.163 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCO)CC2)CC1 ZINC001733690870 1186400248 /nfs/dbraw/zinc/40/02/48/1186400248.db2.gz CVQYKVPTVKESKZ-JCNLHEQBSA-N 2 0 321.465 0.589 20 30 DCEDRP COCC#CC[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001733775709 1186442379 /nfs/dbraw/zinc/44/23/79/1186442379.db2.gz CQKFTHAPNKJRQW-UHFFFAOYSA-N 2 0 309.454 0.758 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001733860365 1186478878 /nfs/dbraw/zinc/47/88/78/1186478878.db2.gz VTJOLKJZTCSOGH-KBPBESRZSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001734162158 1186565369 /nfs/dbraw/zinc/56/53/69/1186565369.db2.gz ATPVGFYLWCBDBQ-PHZGNYQRSA-N 2 0 319.449 0.272 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCOCC)C[C@H]2C)CC1 ZINC001734431311 1186652349 /nfs/dbraw/zinc/65/23/49/1186652349.db2.gz VPOMAWBWHWEAKM-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001734523884 1186676424 /nfs/dbraw/zinc/67/64/24/1186676424.db2.gz ZOSNVMSECMSXPP-CVEARBPZSA-N 2 0 309.454 0.539 20 30 DCEDRP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001734541428 1186684344 /nfs/dbraw/zinc/68/43/44/1186684344.db2.gz NKOHGYQQPBMHGI-OAHLLOKOSA-N 2 0 309.454 0.635 20 30 DCEDRP C=C(C)C[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCOC ZINC001734581359 1186695263 /nfs/dbraw/zinc/69/52/63/1186695263.db2.gz MOJXMSMGTUNLIS-INIZCTEOSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]C[C@@H](C)OC)C2)CC1 ZINC001752963249 1188469028 /nfs/dbraw/zinc/46/90/28/1188469028.db2.gz LKYDLRSBDHPXAW-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001753628814 1188627008 /nfs/dbraw/zinc/62/70/08/1188627008.db2.gz FHSNJLRTVHHDTP-UONOGXRCSA-N 2 0 324.469 0.361 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001754289796 1188810149 /nfs/dbraw/zinc/81/01/49/1188810149.db2.gz VUMVXAYTSDQGJO-HNNXBMFYSA-N 2 0 309.454 0.851 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC#CCOC ZINC001754415709 1188850069 /nfs/dbraw/zinc/85/00/69/1188850069.db2.gz AUYRHTZTOWMHFV-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[NH2+]C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C1CC1 ZINC001754439865 1188852904 /nfs/dbraw/zinc/85/29/04/1188852904.db2.gz ALLXNFVJYWAOQG-HNNXBMFYSA-N 2 0 303.410 0.176 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC#CC)C2CC2)CC1 ZINC001754461859 1188857832 /nfs/dbraw/zinc/85/78/32/1188857832.db2.gz WGCNUDRBSFKDSB-KRWDZBQOSA-N 2 0 301.434 0.839 20 30 DCEDRP CC[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CC#CCOC ZINC001754467239 1188858646 /nfs/dbraw/zinc/85/86/46/1188858646.db2.gz CSCDGZUTHWDVLA-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCC[NH2+]C1CCN(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001754850111 1188948200 /nfs/dbraw/zinc/94/82/00/1188948200.db2.gz UOQGZUUGIMESJV-UHFFFAOYSA-N 2 0 308.470 0.829 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC#CCOC)CC1 ZINC001755031125 1189001411 /nfs/dbraw/zinc/00/14/11/1189001411.db2.gz NHBAKRJKLHTXLL-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001755045282 1189004380 /nfs/dbraw/zinc/00/43/80/1189004380.db2.gz PJAAWTSPRWKWPD-HUUCEWRRSA-N 2 0 324.469 0.409 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001106906032 751513846 /nfs/dbraw/zinc/51/38/46/751513846.db2.gz SEXSQMOEVXVAJQ-HUUCEWRRSA-N 2 0 324.469 0.315 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CCO)[C@@H]3C2)CC1 ZINC001042367456 751603621 /nfs/dbraw/zinc/60/36/21/751603621.db2.gz HSFFPDTWCJJJLX-NVXWUHKLSA-N 2 0 319.449 0.247 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001106986072 751710981 /nfs/dbraw/zinc/71/09/81/751710981.db2.gz DUIUVOBQFUZEOW-OWCLPIDISA-N 2 0 307.438 0.272 20 30 DCEDRP C#CCC[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001098561028 747336825 /nfs/dbraw/zinc/33/68/25/747336825.db2.gz NLKSSWIOJUKHRM-HNNXBMFYSA-N 2 0 307.438 0.247 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001167626552 747436446 /nfs/dbraw/zinc/43/64/46/747436446.db2.gz DCLUGJTXURICJP-MRXNPFEDSA-N 2 0 309.454 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001168136593 749472148 /nfs/dbraw/zinc/47/21/48/749472148.db2.gz HLFOMTABJYMPDZ-CQSZACIVSA-N 2 0 322.453 0.116 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001106316343 751108953 /nfs/dbraw/zinc/10/89/53/751108953.db2.gz QKGRHLLLBAHPEB-HZPDHXFCSA-N 2 0 321.465 0.662 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106455553 751153276 /nfs/dbraw/zinc/15/32/76/751153276.db2.gz ZULYZTLQGWCUSS-HCBPCCMXSA-N 2 0 317.433 0.167 20 30 DCEDRP C#CC[NH+]1CCC(C)(NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001045440426 753195545 /nfs/dbraw/zinc/19/55/45/753195545.db2.gz KPYACVAHMLXOMW-UHFFFAOYSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001045685945 753294314 /nfs/dbraw/zinc/29/43/14/753294314.db2.gz LDNMPGAKXYYMLM-JKSUJKDBSA-N 2 0 319.449 0.559 20 30 DCEDRP C#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001046035120 753437924 /nfs/dbraw/zinc/43/79/24/753437924.db2.gz FCPVMHXFHZPKTO-KRWDZBQOSA-N 2 0 318.465 0.322 20 30 DCEDRP C=CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC001046040444 753442821 /nfs/dbraw/zinc/44/28/21/753442821.db2.gz ITUPHKKLMJBADC-DLBZAZTESA-N 2 0 320.481 0.875 20 30 DCEDRP C#CC[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC001046064485 753459017 /nfs/dbraw/zinc/45/90/17/753459017.db2.gz OHQUCMKJEBXJAM-IRXDYDNUSA-N 2 0 318.465 0.180 20 30 DCEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001047424453 754269686 /nfs/dbraw/zinc/26/96/86/754269686.db2.gz LQAIPZROSAIMRU-HOTGVXAUSA-N 2 0 319.449 0.389 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](O)C1 ZINC001090261125 754825386 /nfs/dbraw/zinc/82/53/86/754825386.db2.gz MPBUKKMRKBBYTK-HUUCEWRRSA-N 2 0 309.454 0.988 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCCO)C2)CC1 ZINC001072095602 762352166 /nfs/dbraw/zinc/35/21/66/762352166.db2.gz LGPHEGWCHZHLCU-WBVHZDCISA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]2C1 ZINC001049108092 755120838 /nfs/dbraw/zinc/12/08/38/755120838.db2.gz FFQXELJQIHMSNJ-IYBDPMFKSA-N 2 0 315.421 0.082 20 30 DCEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC001090398758 757907978 /nfs/dbraw/zinc/90/79/78/757907978.db2.gz IFYQVWHILMQAIW-HUUCEWRRSA-N 2 0 300.362 0.685 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)C[C@@H]21 ZINC001084911440 758120762 /nfs/dbraw/zinc/12/07/62/758120762.db2.gz CIMSWDRLDCMFRJ-PMPSAXMXSA-N 2 0 305.422 0.263 20 30 DCEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC001090400750 758242737 /nfs/dbraw/zinc/24/27/37/758242737.db2.gz YCDOPGRLLBOOKW-HZPDHXFCSA-N 2 0 312.373 0.523 20 30 DCEDRP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117679 759190709 /nfs/dbraw/zinc/19/07/09/759190709.db2.gz XBIXISGCYIDQDB-IRXDYDNUSA-N 2 0 318.465 0.180 20 30 DCEDRP C=C(C)C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117588 759191057 /nfs/dbraw/zinc/19/10/57/759191057.db2.gz UQHLRAYNTXYEOC-IAGOWNOFSA-N 2 0 320.481 0.733 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731771 759244762 /nfs/dbraw/zinc/24/47/62/759244762.db2.gz KFLHJRXJCUOJRR-LPMVOBIJSA-N 2 0 319.449 0.958 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2C[C@@H](C)O)CC1 ZINC001085987023 759547091 /nfs/dbraw/zinc/54/70/91/759547091.db2.gz RPUOSKSXTVIYEI-GDBMZVCRSA-N 2 0 307.438 0.245 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001086106627 759720027 /nfs/dbraw/zinc/72/00/27/759720027.db2.gz SBUPAVHWXYKVFC-UXLLHSPISA-N 2 0 319.449 0.747 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC001086176100 759802764 /nfs/dbraw/zinc/80/27/64/759802764.db2.gz CYKKAKYIOLYQII-HLLBOEOZSA-N 2 0 319.449 0.747 20 30 DCEDRP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)COCC[NH+](C)C)C2 ZINC001108800604 761055285 /nfs/dbraw/zinc/05/52/85/761055285.db2.gz IGASUOAJPWYLHP-JYJNAYRXSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001070400527 761213065 /nfs/dbraw/zinc/21/30/65/761213065.db2.gz ZZECDKVDFHPQQN-ZFWWWQNUSA-N 2 0 315.421 0.543 20 30 DCEDRP C=CCOCC[N@@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001148612212 768018580 /nfs/dbraw/zinc/01/85/80/768018580.db2.gz WRNYKURREGMEIS-UHFFFAOYSA-N 2 0 319.449 0.819 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100140710 761685388 /nfs/dbraw/zinc/68/53/88/761685388.db2.gz AJBUQNTUGHRQSB-IRXDYDNUSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@H](C)O2 ZINC001071241368 761732577 /nfs/dbraw/zinc/73/25/77/761732577.db2.gz SVWKGUMJCNKWHZ-WMZOPIPTSA-N 2 0 319.449 0.797 20 30 DCEDRP C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@H](C)O2 ZINC001071241366 761732594 /nfs/dbraw/zinc/73/25/94/761732594.db2.gz SVWKGUMJCNKWHZ-FUHWJXTLSA-N 2 0 319.449 0.797 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129410173 762931430 /nfs/dbraw/zinc/93/14/30/762931430.db2.gz FHUXZOBTCITQPF-CQSZACIVSA-N 2 0 310.442 0.257 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130192076 763170560 /nfs/dbraw/zinc/17/05/60/763170560.db2.gz GCUOIFGXMMAOPB-ZIAGYGMSSA-N 2 0 308.426 0.011 20 30 DCEDRP C=CCOCC[N@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100041595 763247740 /nfs/dbraw/zinc/24/77/40/763247740.db2.gz LKMCDCYKBLVCBC-HUUCEWRRSA-N 2 0 313.442 0.082 20 30 DCEDRP C#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[N@@H+](C)CC)C1 ZINC001130439856 763319042 /nfs/dbraw/zinc/31/90/42/763319042.db2.gz WUPOEACXOUJNLW-AWEZNQCLSA-N 2 0 317.437 0.790 20 30 DCEDRP C#CCC[NH2+]C1CC(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001100444518 763583402 /nfs/dbraw/zinc/58/34/02/763583402.db2.gz OEYVRGRWQBEJPW-UHFFFAOYSA-N 2 0 321.465 0.853 20 30 DCEDRP COCC#CC[NH2+]CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196798 763699957 /nfs/dbraw/zinc/69/99/57/763699957.db2.gz YQSLCBXAHPADSQ-UHFFFAOYSA-N 2 0 313.361 0.237 20 30 DCEDRP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001131584864 763876507 /nfs/dbraw/zinc/87/65/07/763876507.db2.gz GMBFHBLIQFZJEY-AEFFLSMTSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CC[C@@]2(C1)CN(C(=O)CC[N@@H+](C)CC)C[C@@H](C)O2 ZINC001131694117 763955227 /nfs/dbraw/zinc/95/52/27/763955227.db2.gz UOKFGHOMHZOQBW-NVXWUHKLSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CCC[NH+](CCO)C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001098479188 764492122 /nfs/dbraw/zinc/49/21/22/764492122.db2.gz WJCXFEBDNZIAEL-MRXNPFEDSA-N 2 0 321.465 0.779 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993013 764780646 /nfs/dbraw/zinc/78/06/46/764780646.db2.gz JEJQKPJHOCLMBQ-UHFFFAOYSA-N 2 0 324.469 0.459 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102783128 764814739 /nfs/dbraw/zinc/81/47/39/764814739.db2.gz WJFVERXUVKESDC-BRWVUGGUSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092276645 768255079 /nfs/dbraw/zinc/25/50/79/768255079.db2.gz XWBMOPRDEBIDAK-NUJGCVRESA-N 2 0 321.465 0.921 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135308128 765876407 /nfs/dbraw/zinc/87/64/07/765876407.db2.gz OFQOZHCTUDLRGO-KGLIPLIRSA-N 2 0 312.458 0.503 20 30 DCEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001086763124 766093581 /nfs/dbraw/zinc/09/35/81/766093581.db2.gz SVHJURONOOJJQJ-CFFMVQJASA-N 2 0 319.449 0.910 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC)C[C@@H]2O)CC1 ZINC001090831948 766648804 /nfs/dbraw/zinc/64/88/04/766648804.db2.gz XNEVZTIKSPOTCD-IRXDYDNUSA-N 2 0 321.465 0.683 20 30 DCEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001120492810 767040141 /nfs/dbraw/zinc/04/01/41/767040141.db2.gz PJBXWTNKPSPHJD-ZDUSSCGKSA-N 2 0 307.350 0.489 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCCO)CC1 ZINC001146609400 767488593 /nfs/dbraw/zinc/48/85/93/767488593.db2.gz FCEOMOKXIXSKCF-LSDHHAIUSA-N 2 0 309.454 0.587 20 30 DCEDRP CC#CC[NH+]1CCCO[C@H](CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001149936867 768911596 /nfs/dbraw/zinc/91/15/96/768911596.db2.gz PACOBBOXSCCPTA-OAHLLOKOSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCCN1CC(n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001094338148 768997675 /nfs/dbraw/zinc/99/76/75/768997675.db2.gz ANNZOCLYQVRJDE-CYBMUJFWSA-N 2 0 318.425 0.279 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cc(C)ncn2)CC1 ZINC001152330742 769529398 /nfs/dbraw/zinc/52/93/98/769529398.db2.gz ULPKKVCMEWGFGJ-UHFFFAOYSA-N 2 0 315.421 0.336 20 30 DCEDRP C#CCOc1ccc(CN2CCNC[C@@]23CC[NH2+]C3)cc1OC ZINC001234983407 769731825 /nfs/dbraw/zinc/73/18/25/769731825.db2.gz VHZIMSRVHKPIQS-SFHVURJKSA-N 2 0 315.417 0.845 20 30 DCEDRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3[nH]ccc3C#N)C[C@H]1C2 ZINC001236027283 769969765 /nfs/dbraw/zinc/96/97/65/769969765.db2.gz LHYIRHPNJVZHLO-OEUWWYETSA-N 2 0 314.389 0.717 20 30 DCEDRP N#Cc1cccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1F ZINC001236314101 769995948 /nfs/dbraw/zinc/99/59/48/769995948.db2.gz HRASAXZHJDHFBU-UHFFFAOYSA-N 2 0 321.400 0.313 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2nnc(C)[nH]2)CC1 ZINC001176926583 770227763 /nfs/dbraw/zinc/22/77/63/770227763.db2.gz PSVAPZJDCRJLHN-UHFFFAOYSA-N 2 0 318.425 0.054 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001180226835 771078430 /nfs/dbraw/zinc/07/84/30/771078430.db2.gz OPXVNBVTDKSNJN-ILXRZTDVSA-N 2 0 324.469 0.596 20 30 DCEDRP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C ZINC001181884634 771363727 /nfs/dbraw/zinc/36/37/27/771363727.db2.gz IBLXWOADAJXIFK-YFHUEUNASA-N 2 0 321.465 0.803 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001157886777 771687354 /nfs/dbraw/zinc/68/73/54/771687354.db2.gz MOJWQOYLFOWPEN-AWEZNQCLSA-N 2 0 310.442 0.257 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001185072360 771863208 /nfs/dbraw/zinc/86/32/08/771863208.db2.gz GKGKONHUYUEGOB-CABCVRRESA-N 2 0 324.469 0.315 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001185501641 771922834 /nfs/dbraw/zinc/92/28/34/771922834.db2.gz HVFSBOMKTHTDJE-HZPDHXFCSA-N 2 0 309.454 0.662 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCC[C@@H](C)O)C2)CC1 ZINC001188092918 772265358 /nfs/dbraw/zinc/26/53/58/772265358.db2.gz ZYJCGOJFKYQUSZ-NVXWUHKLSA-N 2 0 321.465 0.683 20 30 DCEDRP C=CCCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162871961 772427197 /nfs/dbraw/zinc/42/71/97/772427197.db2.gz BVBICTRZBLHFTE-ISXOHVOVSA-N 2 0 307.438 0.912 20 30 DCEDRP C=CCOCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162871979 772427573 /nfs/dbraw/zinc/42/75/73/772427573.db2.gz CHXYEXFWSYDBRM-ISXOHVOVSA-N 2 0 323.437 0.148 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189871046 772548263 /nfs/dbraw/zinc/54/82/63/772548263.db2.gz JDHMBIKGBDKYDB-DLBZAZTESA-N 2 0 321.465 0.901 20 30 DCEDRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)CC#CCOC)C1 ZINC001191030223 772711296 /nfs/dbraw/zinc/71/12/96/772711296.db2.gz RYXUPVCSQIQPAW-OAHLLOKOSA-N 2 0 309.454 0.899 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1=O ZINC001166010465 772778602 /nfs/dbraw/zinc/77/86/02/772778602.db2.gz NXRYNUPQGOEOGU-HUUCEWRRSA-N 2 0 324.469 0.455 20 30 DCEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001166815107 772863207 /nfs/dbraw/zinc/86/32/07/772863207.db2.gz ZDUMHTXPHHFLOV-INIZCTEOSA-N 2 0 321.465 0.995 20 30 DCEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001205345776 772988410 /nfs/dbraw/zinc/98/84/10/772988410.db2.gz YAHLPDZSSYFVHY-SJORKVTESA-N 2 0 319.449 0.701 20 30 DCEDRP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001205345593 772988442 /nfs/dbraw/zinc/98/84/42/772988442.db2.gz RYNICBLRCSFSRD-CVEARBPZSA-N 2 0 305.422 0.311 20 30 DCEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210340132 773699589 /nfs/dbraw/zinc/69/95/89/773699589.db2.gz ULSNEVIOMOOTAY-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210495320 773715017 /nfs/dbraw/zinc/71/50/17/773715017.db2.gz ZANXNBJZPXAEOT-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCOCC(C)C)CC1 ZINC001152324287 773721825 /nfs/dbraw/zinc/72/18/25/773721825.db2.gz OPICZALGDNTPJW-UHFFFAOYSA-N 2 0 309.454 0.710 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729674 773968233 /nfs/dbraw/zinc/96/82/33/773968233.db2.gz WKVYJIFEHAWXBG-HZPDHXFCSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215599191 774085023 /nfs/dbraw/zinc/08/50/23/774085023.db2.gz UTLVINWSUNFALK-OWCLPIDISA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215599190 774085037 /nfs/dbraw/zinc/08/50/37/774085037.db2.gz UTLVINWSUNFALK-BZUAXINKSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216758197 774134237 /nfs/dbraw/zinc/13/42/37/774134237.db2.gz ZFFYEALHGAFCLN-OWCLPIDISA-N 2 0 307.438 0.415 20 30 DCEDRP COC(=O)c1scc(C#N)c1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218604756 774260918 /nfs/dbraw/zinc/26/09/18/774260918.db2.gz HOLDMBDCGKJEDL-JTQLQIEISA-N 2 0 322.390 0.672 20 30 DCEDRP N#Cc1ncc(NC(=O)[C@H]([NH3+])CCC[NH3+])cc1C(F)(F)F ZINC001218658431 774274788 /nfs/dbraw/zinc/27/47/88/774274788.db2.gz CKZNCURAYORFSG-SECBINFHSA-N 2 0 301.272 0.977 20 30 DCEDRP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001200658451 774392664 /nfs/dbraw/zinc/39/26/64/774392664.db2.gz NEXVCNKMQLEQIA-HOTGVXAUSA-N 2 0 305.422 0.454 20 30 DCEDRP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])Cc2cccc(C#N)c2)C1 ZINC001219641969 774570473 /nfs/dbraw/zinc/57/04/73/774570473.db2.gz NHHMXULEZWKHAL-WQVCFCJDSA-N 2 0 300.406 0.790 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)CCCO1 ZINC001201924760 774571563 /nfs/dbraw/zinc/57/15/63/774571563.db2.gz UCYOEGODOQWRAT-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202060218 774596330 /nfs/dbraw/zinc/59/63/30/774596330.db2.gz VLZMOBXXMKPFEW-UONOGXRCSA-N 2 0 315.845 0.898 20 30 DCEDRP C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH2+]CCC[NH3+] ZINC001220128443 774701212 /nfs/dbraw/zinc/70/12/12/774701212.db2.gz FGKPKUMDLGDFOI-HNNXBMFYSA-N 2 0 319.405 0.382 20 30 DCEDRP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220268693 774750849 /nfs/dbraw/zinc/75/08/49/774750849.db2.gz FLYLLBIHKSEDHR-BMFZPTHFSA-N 2 0 309.454 0.844 20 30 DCEDRP C#CC[C@]1(C(=O)NCc2ncn3c2C[NH2+]CCC3)CCC[NH2+]1 ZINC001220313106 774767338 /nfs/dbraw/zinc/76/73/38/774767338.db2.gz LPLUTBOTWTZXDQ-MRXNPFEDSA-N 2 0 301.394 0.138 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001114464097 774881784 /nfs/dbraw/zinc/88/17/84/774881784.db2.gz QLQWBWAQMYBULV-ZSHCYNCHSA-N 2 0 321.465 0.967 20 30 DCEDRP C#CCCC1(CCNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)N=N1 ZINC001221409002 775092070 /nfs/dbraw/zinc/09/20/70/775092070.db2.gz LRJXTEDENMFFRS-ZDUSSCGKSA-N 2 0 303.410 0.942 20 30 DCEDRP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001221444993 775104992 /nfs/dbraw/zinc/10/49/92/775104992.db2.gz VTBUMRXADOIRQS-BZUAXINKSA-N 2 0 307.438 0.816 20 30 DCEDRP COCC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001223611547 775503712 /nfs/dbraw/zinc/50/37/12/775503712.db2.gz SJVQNPOFDZOUEX-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224130043 775540370 /nfs/dbraw/zinc/54/03/70/775540370.db2.gz LZFFQEHZIGMFLS-ZACQAIPSSA-N 2 0 319.449 0.511 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC(CNC(=O)CCC[NH+](C)C)CC1 ZINC001224253998 775549626 /nfs/dbraw/zinc/54/96/26/775549626.db2.gz NYSHTIOHXPHNAV-UHFFFAOYSA-N 2 0 324.469 0.459 20 30 DCEDRP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC001114518813 775894478 /nfs/dbraw/zinc/89/44/78/775894478.db2.gz QRZBTABOUNTVAS-ZSHCYNCHSA-N 2 0 319.449 0.864 20 30 DCEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042291993 777840851 /nfs/dbraw/zinc/84/08/51/777840851.db2.gz JVOYOHYGNQNMQS-WBVHZDCISA-N 2 0 319.449 0.653 20 30 DCEDRP C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001278155865 945159090 /nfs/dbraw/zinc/15/90/90/945159090.db2.gz SUDHASOPSYMNHK-BBWFWOEESA-N 2 0 315.417 0.032 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001317780265 945186289 /nfs/dbraw/zinc/18/62/89/945186289.db2.gz UGJUVTVXENFALX-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)[C@@H](C)N(CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001266413287 939110456 /nfs/dbraw/zinc/11/04/56/939110456.db2.gz LMPWLNNWUSOGEW-CQSZACIVSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCOCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001266513748 939146391 /nfs/dbraw/zinc/14/63/91/939146391.db2.gz GHPYZMGKOVXLKU-OWCLPIDISA-N 2 0 309.454 0.967 20 30 DCEDRP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001267055675 939325407 /nfs/dbraw/zinc/32/54/07/939325407.db2.gz KSPAJCHGUUQDFZ-OAHLLOKOSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC001267132671 939354805 /nfs/dbraw/zinc/35/48/05/939354805.db2.gz RBNRWTVENOVLHR-CABCVRRESA-N 2 0 322.453 0.093 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267596466 939538098 /nfs/dbraw/zinc/53/80/98/939538098.db2.gz ZYZDOMFLZRZEBS-INIZCTEOSA-N 2 0 319.449 0.560 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]C[C@@H](C)OC)CC1 ZINC001268015751 939735308 /nfs/dbraw/zinc/73/53/08/939735308.db2.gz SBLRACGHYSDOOX-LSDHHAIUSA-N 2 0 309.454 0.708 20 30 DCEDRP COCC#CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001481357873 939759481 /nfs/dbraw/zinc/75/94/81/939759481.db2.gz HRDSGKYLCZRWIO-MRXNPFEDSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCCOC)CC1 ZINC001282239953 940026176 /nfs/dbraw/zinc/02/61/76/940026176.db2.gz AEULPRAOOIBESV-CABCVRRESA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCCOC)CC1 ZINC001282239956 940026582 /nfs/dbraw/zinc/02/65/82/940026582.db2.gz AEULPRAOOIBESV-LSDHHAIUSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001269199191 940645476 /nfs/dbraw/zinc/64/54/76/940645476.db2.gz IHUNBMURFKPUHR-HUUCEWRRSA-N 2 0 311.426 0.100 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001482235407 940747151 /nfs/dbraw/zinc/74/71/51/940747151.db2.gz DUJSFWSXQZFQPS-MRXNPFEDSA-N 2 0 321.465 0.997 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001269718820 940762921 /nfs/dbraw/zinc/76/29/21/940762921.db2.gz DRZJDLTVXVVFGQ-FUHWJXTLSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001270331546 940881842 /nfs/dbraw/zinc/88/18/42/940881842.db2.gz HYMXBYCTEUEMOJ-WBVHZDCISA-N 2 0 321.465 0.778 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCOCC1 ZINC001271065492 941250950 /nfs/dbraw/zinc/25/09/50/941250950.db2.gz WYRGYNXQYAGATJ-OAHLLOKOSA-N 2 0 309.454 0.851 20 30 DCEDRP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cccc(C#N)c1)[NH+](C)C ZINC001482768952 941663087 /nfs/dbraw/zinc/66/30/87/941663087.db2.gz CBNFQAUVCJQPDJ-CVEARBPZSA-N 2 0 318.421 0.465 20 30 DCEDRP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001272617569 942870265 /nfs/dbraw/zinc/87/02/65/942870265.db2.gz XIGOGTPUZBSNBU-DLBZAZTESA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCO)C[C@H]2C)CC1 ZINC001483913060 943019873 /nfs/dbraw/zinc/01/98/73/943019873.db2.gz FDJIROLKIODMGN-WBVHZDCISA-N 2 0 321.465 0.683 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001483935812 943037542 /nfs/dbraw/zinc/03/75/42/943037542.db2.gz VYTUNIRPVJDCNZ-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001484025020 943091266 /nfs/dbraw/zinc/09/12/66/943091266.db2.gz FKEKJJVCTCDINQ-INIZCTEOSA-N 2 0 308.470 0.733 20 30 DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001484841367 943590557 /nfs/dbraw/zinc/59/05/57/943590557.db2.gz HUSPACNNZLLEIR-AEFFLSMTSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001484963798 943634055 /nfs/dbraw/zinc/63/40/55/943634055.db2.gz VYAREXDOZDYCTA-UHFFFAOYSA-N 2 0 304.394 0.264 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC#CCOC ZINC001485883421 944381164 /nfs/dbraw/zinc/38/11/64/944381164.db2.gz SQXRVEMNYNHHGE-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001485933907 944417374 /nfs/dbraw/zinc/41/73/74/944417374.db2.gz ZBVJACSFVKQWNB-AWEZNQCLSA-N 2 0 305.426 0.518 20 30 DCEDRP COCC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001486130402 944584639 /nfs/dbraw/zinc/58/46/39/944584639.db2.gz RFMHKCHSFGYQPN-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001486297348 944740328 /nfs/dbraw/zinc/74/03/28/944740328.db2.gz FDEAUVHCDIOZNH-CYBMUJFWSA-N 2 0 303.834 0.490 20 30 DCEDRP CC#CC[NH2+]CCCOCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001277603880 944902788 /nfs/dbraw/zinc/90/27/88/944902788.db2.gz LEPJCQWYZPIFAR-INIZCTEOSA-N 2 0 307.438 0.464 20 30 DCEDRP COCC#CC[N@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001486509403 944945850 /nfs/dbraw/zinc/94/58/50/944945850.db2.gz RTORORQXEPUNIQ-QGZVFWFLSA-N 2 0 319.449 0.869 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001277883428 945023604 /nfs/dbraw/zinc/02/36/04/945023604.db2.gz HZRFRHVBZBQEHM-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC)[NH2+]CC#CCOC ZINC001318529388 945394067 /nfs/dbraw/zinc/39/40/67/945394067.db2.gz KZAWOHZRUOAUFU-HZPDHXFCSA-N 2 0 309.454 0.995 20 30 DCEDRP CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCN[C@H](C#N)C3)C[C@@H]1C[NH2+]CCC2 ZINC001246601746 945441770 /nfs/dbraw/zinc/44/17/70/945441770.db2.gz GPTUUBUXOCDZRL-JKQORVJESA-N 2 0 320.437 0.495 20 30 DCEDRP CCOC(=O)[C@]12C[N@@H+]([C@H]3CCN[C@H](C#N)C3)C[C@H]1C[NH2+]CC2 ZINC001246854798 945504946 /nfs/dbraw/zinc/50/49/46/945504946.db2.gz HIDLNENFHREXSC-ORIJERBGSA-N 2 0 306.410 0.105 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+][C@H](C)COC)CC1 ZINC001319590680 945626410 /nfs/dbraw/zinc/62/64/10/945626410.db2.gz VLPFCLUZIJGTJI-CABCVRRESA-N 2 0 309.454 0.803 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001319922047 945693993 /nfs/dbraw/zinc/69/39/93/945693993.db2.gz KGTIMDIKOLRKOZ-HZPDHXFCSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]C[C@H](C)O)CCC2)CC1 ZINC001273201038 945777784 /nfs/dbraw/zinc/77/77/84/945777784.db2.gz INPZPTKAYWAVML-AWEZNQCLSA-N 2 0 307.438 0.341 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+]C[C@@H](C)OC)CC1 ZINC001321418183 946322262 /nfs/dbraw/zinc/32/22/62/946322262.db2.gz XTGZBMQLJXBUFI-LLYBFZRZSA-N 2 0 307.438 0.629 20 30 DCEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001278774205 946346115 /nfs/dbraw/zinc/34/61/15/946346115.db2.gz SXILNSRZPOXFSX-AWEZNQCLSA-N 2 0 300.362 0.298 20 30 DCEDRP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001278805651 946425456 /nfs/dbraw/zinc/42/54/56/946425456.db2.gz OUAZXOUXBNNDGF-RDJZCZTQSA-N 2 0 309.454 0.683 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)CCO1 ZINC001273316637 946496542 /nfs/dbraw/zinc/49/65/42/946496542.db2.gz UJBXJIMYFNEHHW-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP CN1CC[NH+](CCC(C)(C)NC(=O)NCC#CC[NH+](C)C)CC1 ZINC001256584553 946647430 /nfs/dbraw/zinc/64/74/30/946647430.db2.gz GJXRRIGZSTUXPE-UHFFFAOYSA-N 2 0 323.485 0.267 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001323459953 947090885 /nfs/dbraw/zinc/09/08/85/947090885.db2.gz PGEOQTOXTYCELQ-CYBMUJFWSA-N 2 0 322.453 0.400 20 30 DCEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2COCCN2C2CCCC2)CC1 ZINC001323519487 947113784 /nfs/dbraw/zinc/11/37/84/947113784.db2.gz NYTTWFZAAKRTCW-MRXNPFEDSA-N 2 0 319.449 0.892 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261492724 947319814 /nfs/dbraw/zinc/31/98/14/947319814.db2.gz ROBPFVTXZOUHSD-CYBMUJFWSA-N 2 0 308.426 0.852 20 30 DCEDRP COCC#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001324328675 947390250 /nfs/dbraw/zinc/39/02/50/947390250.db2.gz CEYGRAIDJIVFDR-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001273456643 947738667 /nfs/dbraw/zinc/73/86/67/947738667.db2.gz KWZKMANNLZZEMY-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC001179692172 947887292 /nfs/dbraw/zinc/88/72/92/947887292.db2.gz KTNGJLPNIDSYJJ-HOCLYGCPSA-N 2 0 317.437 0.661 20 30 DCEDRP C#CCC[NH+]1CCC[C@](CO)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001325859144 947957600 /nfs/dbraw/zinc/95/76/00/947957600.db2.gz CDBOIGITDAABTG-SFHVURJKSA-N 2 0 323.481 0.931 20 30 DCEDRP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001327565575 948552684 /nfs/dbraw/zinc/55/26/84/948552684.db2.gz VVRLJOWVDBQEQS-SJLPKXTDSA-N 2 0 321.465 0.847 20 30 DCEDRP C=C[C@H](O)C[N@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001273880838 948651808 /nfs/dbraw/zinc/65/18/08/948651808.db2.gz GPLJYHNWRRBCLR-DOTOQJQBSA-N 2 0 309.454 0.800 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001328205684 948744558 /nfs/dbraw/zinc/74/45/58/948744558.db2.gz OVVUQOQLJJBHFQ-UHFFFAOYSA-N 2 0 321.465 0.683 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1OCC ZINC001263969985 948819830 /nfs/dbraw/zinc/81/98/30/948819830.db2.gz CNDHWKXMUXZQOX-IXDOHACOSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H](C(C)C)[NH+](C)C)n1 ZINC001264027920 948838642 /nfs/dbraw/zinc/83/86/42/948838642.db2.gz BYELSBBICPHESN-HNNXBMFYSA-N 2 0 319.409 0.107 20 30 DCEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1CC ZINC001264069850 948857943 /nfs/dbraw/zinc/85/79/43/948857943.db2.gz BSRLJHVSNXIYQV-HRCADAONSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001264633078 949041047 /nfs/dbraw/zinc/04/10/47/949041047.db2.gz VARQYXACFVTPKK-HZPDHXFCSA-N 2 0 309.454 0.942 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001264657051 949056706 /nfs/dbraw/zinc/05/67/06/949056706.db2.gz KUFGSHUCOGCYAW-IKGGRYGDSA-N 2 0 319.449 0.368 20 30 DCEDRP C=CC[NH+]1CCN(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001265258302 949499796 /nfs/dbraw/zinc/49/97/96/949499796.db2.gz FRINEWNQKADRGT-INIZCTEOSA-N 2 0 306.454 0.248 20 30 DCEDRP C=CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001265265333 949515497 /nfs/dbraw/zinc/51/54/97/949515497.db2.gz VWCBCHSAVJPOCM-SJORKVTESA-N 2 0 320.481 0.923 20 30 DCEDRP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001489160894 949571880 /nfs/dbraw/zinc/57/18/80/949571880.db2.gz PICBRRYIBAWPKG-IAGOWNOFSA-N 2 0 321.465 0.778 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001330360025 950310449 /nfs/dbraw/zinc/31/04/49/950310449.db2.gz MPULRLQTZUMTNW-LUKYLMHMSA-N 2 0 319.449 0.272 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001266154789 950425076 /nfs/dbraw/zinc/42/50/76/950425076.db2.gz FZPPPXWJARXAQA-UONOGXRCSA-N 2 0 310.442 0.257 20 30 DCEDRP COCC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001495398838 950964317 /nfs/dbraw/zinc/96/43/17/950964317.db2.gz ZTIUZKGQELKBER-SJORKVTESA-N 2 0 321.465 0.806 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(=C)C)C1 ZINC001280595366 950973552 /nfs/dbraw/zinc/97/35/52/950973552.db2.gz JUQHJTMTZJQETR-HOTGVXAUSA-N 2 0 305.422 0.477 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001281617831 951563090 /nfs/dbraw/zinc/56/30/90/951563090.db2.gz BUFQCCCMZVJJRF-HNNXBMFYSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CCC[NH2+]CC1CC(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001275299041 952052892 /nfs/dbraw/zinc/05/28/92/952052892.db2.gz DHGBLXPHQCOQEO-UHFFFAOYSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CC[C@]1(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CCC[NH2+]1 ZINC001342697242 953302809 /nfs/dbraw/zinc/30/28/09/953302809.db2.gz ZKWRYEYFVWCMJV-BFYDXBDKSA-N 2 0 307.438 0.742 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001282886257 953721287 /nfs/dbraw/zinc/72/12/87/953721287.db2.gz RAFHPJDVIKXCDT-PHZGNYQRSA-N 2 0 307.438 0.270 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001283111412 954020681 /nfs/dbraw/zinc/02/06/81/954020681.db2.gz ROHKSGQYFPTUIM-QAETUUGQSA-N 2 0 321.465 0.993 20 30 DCEDRP C=C(Cl)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 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KMISCQDHHDWVSS-HIFRSBDPSA-N 2 0 322.453 0.209 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001502834510 1016095267 /nfs/dbraw/zinc/09/52/67/1016095267.db2.gz LXUBNWPVXNSYPO-MRXNPFEDSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCCO)C2)CC1 ZINC001507428607 1016322578 /nfs/dbraw/zinc/32/25/78/1016322578.db2.gz SIPAFRSMXWRVJN-RDJZCZTQSA-N 2 0 321.465 0.589 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001507495901 1016411598 /nfs/dbraw/zinc/41/15/98/1016411598.db2.gz SXKPSWRHYQFDBO-INIZCTEOSA-N 2 0 323.481 0.931 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCOCC)CC1 ZINC001505762165 1016531513 /nfs/dbraw/zinc/53/15/13/1016531513.db2.gz YKHAIADMPAFFFR-LSDHHAIUSA-N 2 0 309.454 0.851 20 30 DCEDRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCC#CC[NH+](C)C ZINC001471629783 1016611593 /nfs/dbraw/zinc/61/15/93/1016611593.db2.gz JRUJTODLEQDEQR-HNNXBMFYSA-N 2 0 315.421 0.867 20 30 DCEDRP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001508228518 1016725511 /nfs/dbraw/zinc/72/55/11/1016725511.db2.gz HMBZEVYICFPSLU-INIZCTEOSA-N 2 0 319.449 0.726 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001406297468 1003578842 /nfs/dbraw/zinc/57/88/42/1003578842.db2.gz FXHODXHWRGYTAX-OLZOCXBDSA-N 2 0 303.834 0.680 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)[C@H](CC)C(N)=O)CC1 ZINC001506065913 1016972299 /nfs/dbraw/zinc/97/22/99/1016972299.db2.gz YIKRMNCWPPRAFE-UKRRQHHQSA-N 2 0 322.453 0.032 20 30 DCEDRP C=CCC[C@@H](C)[NH+]1CC(CCO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001506124785 1017046141 /nfs/dbraw/zinc/04/61/41/1017046141.db2.gz UHXWQGYICGWINX-OAHLLOKOSA-N 2 0 321.465 0.990 20 30 DCEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001442041719 1008854633 /nfs/dbraw/zinc/85/46/33/1008854633.db2.gz BMBPCJKQMIVUEG-WCQYABFASA-N 2 0 303.834 0.802 20 30 DCEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001548703922 1012999606 /nfs/dbraw/zinc/99/96/06/1012999606.db2.gz WIWUVLAQPVPNJN-HOCLYGCPSA-N 2 0 306.454 0.531 20 30 DCEDRP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001500402543 1018440662 /nfs/dbraw/zinc/44/06/62/1018440662.db2.gz VGWCOJUMPSTFTR-RDJZCZTQSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CC[NH2+]C1CCC(NC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC001480405429 1018503613 /nfs/dbraw/zinc/50/36/13/1018503613.db2.gz UIGPFIGJMXBHPT-UHFFFAOYSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001495474047 1018525703 /nfs/dbraw/zinc/52/57/03/1018525703.db2.gz FCDDANIAUOSWAX-RBSFLKMASA-N 2 0 322.453 0.093 20 30 DCEDRP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001500715202 1018607985 /nfs/dbraw/zinc/60/79/85/1018607985.db2.gz TVFHFZPWESPKEW-NVXWUHKLSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]C[C@@H]2CCOC2)CC1 ZINC001496238598 1019185815 /nfs/dbraw/zinc/18/58/15/1019185815.db2.gz MDNTYKHLHWYFAI-CVEARBPZSA-N 2 0 321.465 0.805 20 30 DCEDRP C[N@@H+]1CC[C@@](O)(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000262280462 529800216 /nfs/dbraw/zinc/80/02/16/529800216.db2.gz IYQOXUXUMXJKEP-MRXNPFEDSA-N 2 0 320.393 0.641 20 30 DCEDRP CN(C)C(=[NH2+])NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000178567293 237232135 /nfs/dbraw/zinc/23/21/35/237232135.db2.gz WSZRPOKEVZSDEN-OAHLLOKOSA-N 2 0 317.437 0.760 20 30 DCEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000264098718 238189933 /nfs/dbraw/zinc/18/99/33/238189933.db2.gz NJIJQUGNNXNECD-XJKSGUPXSA-N 2 0 320.437 0.345 20 30 DCEDRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2cccc(C#N)c2)CC1 ZINC000567700921 291371050 /nfs/dbraw/zinc/37/10/50/291371050.db2.gz UVZPHCWPNZZUBE-KRWDZBQOSA-N 2 0 302.422 0.299 20 30 DCEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000262547826 532965195 /nfs/dbraw/zinc/96/51/95/532965195.db2.gz WCUORDUVLWSWEB-GFCCVEGCSA-N 2 0 321.425 0.676 20 30 DCEDRP C=CCN(CC=C)C(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000272530114 395897678 /nfs/dbraw/zinc/89/76/78/395897678.db2.gz QTFCKRYSEBUVFK-UHFFFAOYSA-N 2 0 308.470 0.756 20 30 DCEDRP N#Cc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)o1 ZINC000600769478 396941151 /nfs/dbraw/zinc/94/11/51/396941151.db2.gz VVIANADHTMOXMD-ZDUSSCGKSA-N 2 0 302.378 0.795 20 30 DCEDRP C[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000329523995 416175437 /nfs/dbraw/zinc/17/54/37/416175437.db2.gz QFVQYNWVEXSUAU-KGLIPLIRSA-N 2 0 310.442 0.574 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000329351514 416165253 /nfs/dbraw/zinc/16/52/53/416165253.db2.gz FKJXYPMGFQXKTJ-INIZCTEOSA-N 2 0 323.485 0.776 20 30 DCEDRP C[C@H](CC[NH+](C)C)NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000331009448 416252469 /nfs/dbraw/zinc/25/24/69/416252469.db2.gz UVZFAHUAZLFVOM-CYBMUJFWSA-N 2 0 300.447 0.629 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)CC1 ZINC000491040036 416583563 /nfs/dbraw/zinc/58/35/63/416583563.db2.gz RTJJGNYFLUCUAF-RDJZCZTQSA-N 2 0 307.438 0.247 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000491709817 416618608 /nfs/dbraw/zinc/61/86/08/416618608.db2.gz XINAWWKCQVLFPM-HOTGVXAUSA-N 2 0 306.454 0.973 20 30 DCEDRP COc1cc[nH+]c(N2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)c1 ZINC000424158122 416620168 /nfs/dbraw/zinc/62/01/68/416620168.db2.gz QNHGSDLBHPFHAK-AWEZNQCLSA-N 2 0 317.393 0.760 20 30 DCEDRP C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424184458 416623801 /nfs/dbraw/zinc/62/38/01/416623801.db2.gz XLTLCKGMGFOTOA-OAHLLOKOSA-N 2 0 303.410 0.993 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000491769947 416624694 /nfs/dbraw/zinc/62/46/94/416624694.db2.gz MBGGTYTWLYCLHO-UHFFFAOYSA-N 2 0 320.481 0.474 20 30 DCEDRP CC(C)[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)N1CC[NH+](C)CC1 ZINC000565714343 417011755 /nfs/dbraw/zinc/01/17/55/417011755.db2.gz IWLPCMMJRXICJY-LSDHHAIUSA-N 2 0 309.458 0.396 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000576874654 417645155 /nfs/dbraw/zinc/64/51/55/417645155.db2.gz ACRIYHDXNHQAFI-CHWSQXEVSA-N 2 0 310.442 0.385 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)CC1 ZINC000652147180 417851778 /nfs/dbraw/zinc/85/17/78/417851778.db2.gz LDWOFBPMOQZHAH-UKRRQHHQSA-N 2 0 310.442 0.642 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654431281 418143164 /nfs/dbraw/zinc/14/31/64/418143164.db2.gz DEUVJGWAJLCOHJ-LSDHHAIUSA-N 2 0 308.426 0.097 20 30 DCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418358061 262275495 /nfs/dbraw/zinc/27/54/95/262275495.db2.gz DKBGLLYLABMKNB-INIZCTEOSA-N 2 0 315.421 0.993 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357090161 277868138 /nfs/dbraw/zinc/86/81/38/277868138.db2.gz ZUIQVONBQORROS-GXTWGEPZSA-N 2 0 308.426 0.708 20 30 DCEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000329782334 336081070 /nfs/dbraw/zinc/08/10/70/336081070.db2.gz UHFNMZPODILVAD-TZMCWYRMSA-N 2 0 310.442 0.429 20 30 DCEDRP C[NH+](C)CCCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000303694180 340342873 /nfs/dbraw/zinc/34/28/73/340342873.db2.gz CQRDMASZNPKBHC-UHFFFAOYSA-N 2 0 313.446 0.806 20 30 DCEDRP C=CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001567720416 1160463063 /nfs/dbraw/zinc/46/30/63/1160463063.db2.gz WMWPIKSERKNOGB-MRXNPFEDSA-N 2 0 308.470 0.733 20 30 DCEDRP C[C@H]1C[NH+]=C(NCc2ccc(CN3CC[NH+](C)CC3)cc2)N1 ZINC000262642851 533989554 /nfs/dbraw/zinc/98/95/54/533989554.db2.gz IDXNNDPXZWHSSL-AWEZNQCLSA-N 2 0 301.438 0.871 20 30 DCEDRP C=CCn1cc(C[NH2+][C@H](C)C2(C(=O)OCC)CC[NH2+]CC2)nn1 ZINC000424386291 534465241 /nfs/dbraw/zinc/46/52/41/534465241.db2.gz XDLLKACEHUGEKA-CYBMUJFWSA-N 2 0 321.425 0.875 20 30 DCEDRP C[NH+]=C(NCC(=O)NC1CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262478554 526347743 /nfs/dbraw/zinc/34/77/43/526347743.db2.gz QTSJRRWGEGXTMW-AWEZNQCLSA-N 2 0 307.442 0.401 20 30 DCEDRP C[NH+]=C(NCc1ccc(C(N)=O)o1)NC1CC[NH+](C(C)C)CC1 ZINC000262345589 526382919 /nfs/dbraw/zinc/38/29/19/526382919.db2.gz DFCJOBVAUKXQNY-UHFFFAOYSA-N 2 0 321.425 0.916 20 30 DCEDRP C[NH+]=C(NCc1ccnc(C)n1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261950663 526386811 /nfs/dbraw/zinc/38/68/11/526386811.db2.gz HFXFOUQGAJBMQA-XHDPSFHLSA-N 2 0 302.426 0.933 20 30 DCEDRP C[NH+]=C(NCc1c(C)noc1C)NC[C@@H]1C[N@H+](C)CCN1C ZINC000261786008 526414115 /nfs/dbraw/zinc/41/41/15/526414115.db2.gz FWDYZAMQOJVXFS-CYBMUJFWSA-N 2 0 308.430 0.202 20 30 DCEDRP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000981208758 661101382 /nfs/dbraw/zinc/10/13/82/661101382.db2.gz BVNNEWUILLPHMO-JKSUJKDBSA-N 2 0 307.438 0.960 20 30 DCEDRP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000981208755 661101637 /nfs/dbraw/zinc/10/16/37/661101637.db2.gz BVNNEWUILLPHMO-HOTGVXAUSA-N 2 0 307.438 0.960 20 30 DCEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2cc(CN(C)C)on2)C[C@@H]1C ZINC000947471376 657823791 /nfs/dbraw/zinc/82/37/91/657823791.db2.gz BJCXLTBDWGNSOB-STQMWFEESA-N 2 0 304.394 0.952 20 30 DCEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000970728260 657837393 /nfs/dbraw/zinc/83/73/93/657837393.db2.gz WXBLDUCZDJQFHJ-GXTWGEPZSA-N 2 0 315.845 0.898 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CCO)C2)CC1 ZINC001023761917 658216969 /nfs/dbraw/zinc/21/69/69/658216969.db2.gz MHSVXKCQMHGUDR-HNNXBMFYSA-N 2 0 307.438 0.152 20 30 DCEDRP C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC000972392012 658707149 /nfs/dbraw/zinc/70/71/49/658707149.db2.gz GKSAWRLLGMDOGA-JZXOWHBKSA-N 2 0 319.449 0.653 20 30 DCEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025799061 659565329 /nfs/dbraw/zinc/56/53/29/659565329.db2.gz REMFUFQRYVSGAC-LJIZCISZSA-N 2 0 305.422 0.472 20 30 DCEDRP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000988855216 662868166 /nfs/dbraw/zinc/86/81/66/662868166.db2.gz NCAJCMQDWYTLOR-UONOGXRCSA-N 2 0 305.426 0.823 20 30 DCEDRP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000989542934 662957113 /nfs/dbraw/zinc/95/71/13/662957113.db2.gz JQUXIASKOZJBPG-DZGCQCFKSA-N 2 0 303.410 0.271 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000900562436 663255152 /nfs/dbraw/zinc/25/51/52/663255152.db2.gz XKTVLKWRLFXMFC-UHFFFAOYSA-N 2 0 322.453 0.261 20 30 DCEDRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C1 ZINC000902358507 663410691 /nfs/dbraw/zinc/41/06/91/663410691.db2.gz CSIOIGUDSQABJV-XROPSADXSA-N 2 0 306.410 0.881 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911236029 664008930 /nfs/dbraw/zinc/00/89/30/664008930.db2.gz LHQIUSJCPIYNQS-OAHLLOKOSA-N 2 0 322.453 0.401 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000913518765 664337532 /nfs/dbraw/zinc/33/75/32/664337532.db2.gz ZXSOQICSYJQOHD-UHFFFAOYSA-N 2 0 315.421 0.128 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000913518981 664337796 /nfs/dbraw/zinc/33/77/96/664337796.db2.gz IQWFAZWKBFWNAW-KRWDZBQOSA-N 2 0 315.417 0.569 20 30 DCEDRP C#Cc1ccc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)nc1 ZINC000732779473 664960613 /nfs/dbraw/zinc/96/06/13/664960613.db2.gz SYBXILJRAXHGRZ-HNNXBMFYSA-N 2 0 312.417 0.961 20 30 DCEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001001647177 666082238 /nfs/dbraw/zinc/08/22/38/666082238.db2.gz TZWAXXVZBQOUTI-PQUAAJSLSA-N 2 0 319.449 0.864 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](C[C@H](C)OC)C2)CC1 ZINC001032207470 666452429 /nfs/dbraw/zinc/45/24/29/666452429.db2.gz RYZGMEYSRGUMJW-AWEZNQCLSA-N 2 0 307.438 0.415 20 30 DCEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1(C)C ZINC000996068442 666736618 /nfs/dbraw/zinc/73/66/18/666736618.db2.gz GVVGVDIKHSXJCE-DGSCNEQVSA-N 2 0 319.449 0.862 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C[C@@H](C)O)C2)CC1 ZINC001033687500 666795837 /nfs/dbraw/zinc/79/58/37/666795837.db2.gz HTEWAYAKQOOAHN-ZBFHGGJFSA-N 2 0 307.438 0.245 20 30 DCEDRP C#CC[N@H+]1CCCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001034436591 667026200 /nfs/dbraw/zinc/02/62/00/667026200.db2.gz SKHBHXHJBSFOGA-MRXNPFEDSA-N 2 0 317.437 0.662 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCCN(C(=O)C(=C)C[NH+](C)C)C1 ZINC000862280260 667035220 /nfs/dbraw/zinc/03/52/20/667035220.db2.gz ZLTTVAACRUUMQK-OAHLLOKOSA-N 2 0 322.453 0.329 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1C ZINC001036211215 667430228 /nfs/dbraw/zinc/43/02/28/667430228.db2.gz JDELJFGIZCKGHL-HOCLYGCPSA-N 2 0 317.437 0.518 20 30 DCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1C[N@@H+]3CCC[C@@H]3CO1)C2 ZINC000884208349 667499312 /nfs/dbraw/zinc/49/93/12/667499312.db2.gz XQENAHQXACRPJK-QJNCVLDKSA-N 2 0 318.421 0.105 20 30 DCEDRP C=CCN(C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000923308729 667504311 /nfs/dbraw/zinc/50/43/11/667504311.db2.gz FTZDPOGIQVBGBR-OLZOCXBDSA-N 2 0 300.424 0.040 20 30 DCEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884233174 667506254 /nfs/dbraw/zinc/50/62/54/667506254.db2.gz LAGCBWREKXOMKD-HFSWDDHRSA-N 2 0 302.422 0.725 20 30 DCEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923377847 667520419 /nfs/dbraw/zinc/52/04/19/667520419.db2.gz PZJHCGXXLGYGEW-XHSDSOJGSA-N 2 0 322.453 0.534 20 30 DCEDRP COCCN(CC[NH+](C)C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884309902 667521011 /nfs/dbraw/zinc/52/10/11/667521011.db2.gz IWJNIWXOFNCNBJ-BBBYJDLNSA-N 2 0 308.426 0.162 20 30 DCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000867983529 667523723 /nfs/dbraw/zinc/52/37/23/667523723.db2.gz PRDNIOLZOIQVCL-NEPJUHHUSA-N 2 0 312.295 0.751 20 30 DCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CC[NH2+]C13CCCC3)C2 ZINC000884376737 667534185 /nfs/dbraw/zinc/53/41/85/667534185.db2.gz PLEWCFBHJLUZTF-WJEHIRDRSA-N 2 0 302.422 0.917 20 30 DCEDRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCO1 ZINC000876543912 668463318 /nfs/dbraw/zinc/46/33/18/668463318.db2.gz OXLNXSGDDNBTKP-IUIKQTSFSA-N 2 0 314.389 0.320 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000876973806 668546050 /nfs/dbraw/zinc/54/60/50/668546050.db2.gz QERUKMVWHIBUHG-CHWSQXEVSA-N 2 0 301.818 0.826 20 30 DCEDRP CC(C)C[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)[NH+](C)C ZINC000303777041 685206909 /nfs/dbraw/zinc/20/69/09/685206909.db2.gz IKIYJCJUQRSQCK-HNNXBMFYSA-N 2 0 313.490 0.589 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[S@](=O)C(C)(C)C ZINC000304752767 685211746 /nfs/dbraw/zinc/21/17/46/685211746.db2.gz KOOFRNBAEAZTQZ-YUNKPMOVSA-N 2 0 302.488 0.922 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC000958266752 687495072 /nfs/dbraw/zinc/49/50/72/687495072.db2.gz CFACDCQAONUHKA-GDBMZVCRSA-N 2 0 312.373 0.380 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](O)C1 ZINC000958345895 687566675 /nfs/dbraw/zinc/56/66/75/687566675.db2.gz UJUYPYONNVIUIA-HUUCEWRRSA-N 2 0 319.405 0.387 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC(C)C)C[C@H]2O)CC1 ZINC000958723224 687875655 /nfs/dbraw/zinc/87/56/55/687875655.db2.gz DPPBRMGCJYPISC-IAGOWNOFSA-N 2 0 321.465 0.397 20 30 DCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CN(CC)CCO3)C2)C1 ZINC000965925793 689584171 /nfs/dbraw/zinc/58/41/71/689584171.db2.gz QPDYCFPEKLVVJD-UKEPKTAJSA-N 2 0 305.422 0.357 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001073677642 694765829 /nfs/dbraw/zinc/76/58/29/694765829.db2.gz NCOUQFIKGWSQBQ-MRXNPFEDSA-N 2 0 319.449 0.845 20 30 DCEDRP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073756133 694777697 /nfs/dbraw/zinc/77/76/97/694777697.db2.gz UCLQYYNNSNDAHS-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001570413938 1162507838 /nfs/dbraw/zinc/50/78/38/1162507838.db2.gz ILYQTAQKHAWDRG-JKSUJKDBSA-N 2 0 321.465 0.683 20 30 DCEDRP C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001570752274 1162611616 /nfs/dbraw/zinc/61/16/16/1162611616.db2.gz WDDFXZBLKHBDOU-GJZGRUSLSA-N 2 0 322.453 0.306 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC001571563403 1162812259 /nfs/dbraw/zinc/81/22/59/1162812259.db2.gz JITWNDQLGUWGSH-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC#CCOC)C1CC1 ZINC001670480026 1157448666 /nfs/dbraw/zinc/44/86/66/1157448666.db2.gz LSQWJNIKXBTTIZ-IRXDYDNUSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001753994590 1157456814 /nfs/dbraw/zinc/45/68/14/1157456814.db2.gz BOPVOFWUVRAPQS-ZDUSSCGKSA-N 2 0 310.442 0.115 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001691154523 1157600710 /nfs/dbraw/zinc/60/07/10/1157600710.db2.gz QNLFTKSVUJVJEU-ULQDDVLXSA-N 2 0 321.465 0.805 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1OCC ZINC001691323424 1157642749 /nfs/dbraw/zinc/64/27/49/1157642749.db2.gz KOPUBHQTSLRUEI-BZUAXINKSA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001691424303 1157671229 /nfs/dbraw/zinc/67/12/29/1157671229.db2.gz IBDDVNYJEHRHPP-LBPRGKRZSA-N 2 0 319.409 0.416 20 30 DCEDRP C=C(C)C[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001691535315 1158317704 /nfs/dbraw/zinc/31/77/04/1158317704.db2.gz FBAUROZNVOMHMH-HOTGVXAUSA-N 2 0 309.454 0.800 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001670876518 1158493007 /nfs/dbraw/zinc/49/30/07/1158493007.db2.gz QXURWSMWBZWOAL-UHFFFAOYSA-N 2 0 307.438 0.607 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001565866278 1159916656 /nfs/dbraw/zinc/91/66/56/1159916656.db2.gz DRHRNTVPRYQIDB-ULQDDVLXSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001566860390 1160170107 /nfs/dbraw/zinc/17/01/07/1160170107.db2.gz YADJUPOYTRPPDA-LJISPDSOSA-N 2 0 322.453 0.256 20 30 DCEDRP CCC[N@@H+](CC#CCOC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001567432009 1160363079 /nfs/dbraw/zinc/36/30/79/1160363079.db2.gz ZSKWZSQRZLLBJF-UHFFFAOYSA-N 2 0 307.438 0.560 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCC1 ZINC001568004758 1160560661 /nfs/dbraw/zinc/56/06/61/1160560661.db2.gz KZSMCDIHFNPEMK-CQSZACIVSA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001568450981 1160648879 /nfs/dbraw/zinc/64/88/79/1160648879.db2.gz GQBUFPWNBOWFGL-KFWWJZLASA-N 2 0 324.469 0.359 20 30 DCEDRP CC#CC[NH2+][C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)C(C)C ZINC001568465931 1160652618 /nfs/dbraw/zinc/65/26/18/1160652618.db2.gz MWIWFKDJYPJAKO-MRXNPFEDSA-N 2 0 319.453 0.812 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001568646152 1160721862 /nfs/dbraw/zinc/72/18/62/1160721862.db2.gz NNZIAWNTEINGEO-KBPBESRZSA-N 2 0 310.442 0.257 20 30 DCEDRP COCC#CC[NH2+]CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001569251719 1160994117 /nfs/dbraw/zinc/99/41/17/1160994117.db2.gz ITTCSVCNMMBWQA-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](CC#C)CC1 ZINC001569587427 1161158013 /nfs/dbraw/zinc/15/80/13/1161158013.db2.gz SWRCNGMQYRDKIZ-GOSISDBHSA-N 2 0 313.445 0.888 20 30 DCEDRP C#CCN(C(=O)Cn1ccnc1)C1CC[NH+](CCCOC)CC1 ZINC001569598201 1161162096 /nfs/dbraw/zinc/16/20/96/1161162096.db2.gz YXXRVZSAGBVNKV-UHFFFAOYSA-N 2 0 318.421 0.846 20 30 DCEDRP C=C(C)C[NH+]1CCC[C@@](CO)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001569897871 1161306567 /nfs/dbraw/zinc/30/65/67/1161306567.db2.gz IAPQXOGQCOSNFC-DOTOQJQBSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CCNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001570187888 1161483119 /nfs/dbraw/zinc/48/31/19/1161483119.db2.gz RQPJDGUAKUSCAB-HNNXBMFYSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001570187848 1161483965 /nfs/dbraw/zinc/48/39/65/1161483965.db2.gz QGFUKRGELXPSLA-HNNXBMFYSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001570295491 1161550594 /nfs/dbraw/zinc/55/05/94/1161550594.db2.gz IQIWBQZNTFGKLD-SJLPKXTDSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC001574673887 1163738727 /nfs/dbraw/zinc/73/87/27/1163738727.db2.gz QSVPRGYNWQWGMQ-LBPRGKRZSA-N 2 0 301.394 0.314 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)c2cc3n(n2)CCC[C@H]3[NH3+])CC1 ZINC001574674118 1163739485 /nfs/dbraw/zinc/73/94/85/1163739485.db2.gz VMYMUQWWXDFHAY-CYBMUJFWSA-N 2 0 301.394 0.504 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC001646160321 1172276647 /nfs/dbraw/zinc/27/66/47/1172276647.db2.gz OPBSZJRYXHIIST-MRVPVSSYSA-N 2 0 300.815 0.956 20 30 DCEDRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)[C@H]2C1 ZINC001646841587 1172560265 /nfs/dbraw/zinc/56/02/65/1172560265.db2.gz QWWNNMIKYVYOSB-NDJKDRJASA-N 2 0 302.422 0.582 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H](C)C1 ZINC001671251308 1173663034 /nfs/dbraw/zinc/66/30/34/1173663034.db2.gz KCTWGYJTFBKALC-LSDHHAIUSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001656775118 1173880869 /nfs/dbraw/zinc/88/08/69/1173880869.db2.gz JLGSZLDLZJAPSR-HNNXBMFYSA-N 2 0 307.438 0.389 20 30 DCEDRP C=CCN1CC[NH+](CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001660904505 1174066826 /nfs/dbraw/zinc/06/68/26/1174066826.db2.gz KMJFCRCICICNBO-INIZCTEOSA-N 2 0 308.470 0.638 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001662564930 1174217416 /nfs/dbraw/zinc/21/74/16/1174217416.db2.gz WPJHJFKOVRXVAJ-KGLIPLIRSA-N 2 0 310.442 0.209 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001666501379 1174604906 /nfs/dbraw/zinc/60/49/06/1174604906.db2.gz WOKCIQGAPISNAD-UHFFFAOYSA-N 2 0 321.465 0.902 20 30 DCEDRP C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001667394408 1174680527 /nfs/dbraw/zinc/68/05/27/1174680527.db2.gz SWIHASOXVZIUHA-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001667759314 1174708183 /nfs/dbraw/zinc/70/81/83/1174708183.db2.gz WZDIFZKSRPEDSN-GDBMZVCRSA-N 2 0 317.437 0.566 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)C2CC[NH+](CC#C)CC2)CCOCC1 ZINC001671957727 1175048144 /nfs/dbraw/zinc/04/81/44/1175048144.db2.gz OJAZJQAPEJCSKI-UHFFFAOYSA-N 2 0 317.433 0.220 20 30 DCEDRP C#CCC[NH+]1CC[C@@](O)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001672002873 1175059600 /nfs/dbraw/zinc/05/96/00/1175059600.db2.gz AHZZJCAQDVVOQC-DOTOQJQBSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001672690272 1175144502 /nfs/dbraw/zinc/14/45/02/1175144502.db2.gz JLGXVZRAVRBSRI-JKSUJKDBSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001673672470 1175222346 /nfs/dbraw/zinc/22/23/46/1175222346.db2.gz UOGFRHNUOKBHKS-NVXWUHKLSA-N 2 0 307.438 0.457 20 30 DCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001673675680 1175222375 /nfs/dbraw/zinc/22/23/75/1175222375.db2.gz FRVMNVWPNDRPCA-RDJZCZTQSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001674310895 1175267850 /nfs/dbraw/zinc/26/78/50/1175267850.db2.gz GVLOLCDIRBUOCO-UHFFFAOYSA-N 2 0 307.438 0.437 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1OCC ZINC001691752472 1175303904 /nfs/dbraw/zinc/30/39/04/1175303904.db2.gz DUNGPXCRWWHCRY-HZPDHXFCSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCOCC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001675545742 1175370862 /nfs/dbraw/zinc/37/08/62/1175370862.db2.gz RBBMWHUMYFZFQE-VQHPVUNQSA-N 2 0 321.465 0.825 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCOC)[C@@H]2C)CC1 ZINC001676695300 1175478120 /nfs/dbraw/zinc/47/81/20/1175478120.db2.gz WNRJMVSYFPRCCL-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+]C1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001677411286 1175563819 /nfs/dbraw/zinc/56/38/19/1175563819.db2.gz YQMFJYWDJVZPFQ-UHFFFAOYSA-N 2 0 319.449 0.844 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001677441056 1175564850 /nfs/dbraw/zinc/56/48/50/1175564850.db2.gz DXIPIQKFSZBGOH-WLYUNCDWSA-N 2 0 322.453 0.045 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001688950411 1176662995 /nfs/dbraw/zinc/66/29/95/1176662995.db2.gz ICGVVKLGLABSKL-APIJFGDWSA-N 2 0 322.453 0.113 20 30 DCEDRP C=CCN1CC[C@H]([N@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001689793583 1177043461 /nfs/dbraw/zinc/04/34/61/1177043461.db2.gz PIWVQCFMHKXOTR-GJZGRUSLSA-N 2 0 322.453 0.306 20 30 DCEDRP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001690092087 1177168985 /nfs/dbraw/zinc/16/89/85/1177168985.db2.gz VMHNATLNNVIUBB-HZPDHXFCSA-N 2 0 307.438 0.721 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)C[N@@H+](C)CCC)C2)C1=O ZINC001690255499 1177197255 /nfs/dbraw/zinc/19/72/55/1177197255.db2.gz PPNOQBVUHRQMTM-LSDHHAIUSA-N 2 0 322.453 0.306 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CC[NH+](C)C ZINC001690908493 1177346270 /nfs/dbraw/zinc/34/62/70/1177346270.db2.gz ZGWRMSZCYHSERU-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001691951497 1177391985 /nfs/dbraw/zinc/39/19/85/1177391985.db2.gz LXDRJNPVIUIVLH-YESZJQIVSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001692233398 1177452760 /nfs/dbraw/zinc/45/27/60/1177452760.db2.gz KQQLILKLWJZXMA-YESZJQIVSA-N 2 0 321.465 0.635 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001699013805 1177771190 /nfs/dbraw/zinc/77/11/90/1177771190.db2.gz AMWQWMAZRAIJJO-CVEARBPZSA-N 2 0 307.438 0.511 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CCOC(C)C)CC1 ZINC001699643420 1178234599 /nfs/dbraw/zinc/23/45/99/1178234599.db2.gz YIJURTFAFOILHT-QGZVFWFLSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCCC[N@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001699900463 1178350507 /nfs/dbraw/zinc/35/05/07/1178350507.db2.gz GEWKZFJTUQYSOL-QGZVFWFLSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001700236821 1178545637 /nfs/dbraw/zinc/54/56/37/1178545637.db2.gz QWVZKKCFUSBKOI-NVXWUHKLSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CC[NH2+]CC1CC(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001700373679 1178600713 /nfs/dbraw/zinc/60/07/13/1178600713.db2.gz SXKWXWPWJGVSPL-UHFFFAOYSA-N 2 0 305.426 0.729 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001700936672 1178813574 /nfs/dbraw/zinc/81/35/74/1178813574.db2.gz IVAPMNZBBAOCQB-HNNXBMFYSA-N 2 0 309.454 0.683 20 30 DCEDRP C#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC001701037833 1178891880 /nfs/dbraw/zinc/89/18/80/1178891880.db2.gz NTOLJLSXIZXKLN-AWEZNQCLSA-N 2 0 304.394 0.143 20 30 DCEDRP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001707209393 1180435499 /nfs/dbraw/zinc/43/54/99/1180435499.db2.gz RSJHILDQCVDAAA-MRXNPFEDSA-N 2 0 321.465 0.637 20 30 DCEDRP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001707209057 1180435786 /nfs/dbraw/zinc/43/57/86/1180435786.db2.gz NZCQISSCDJNPSQ-ULQDDVLXSA-N 2 0 321.465 0.635 20 30 DCEDRP C=CCC[NH+](CCO)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001707281376 1180454608 /nfs/dbraw/zinc/45/46/08/1180454608.db2.gz VKMGKDNAIJTWGF-INIZCTEOSA-N 2 0 309.454 0.942 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001713077811 1180669441 /nfs/dbraw/zinc/66/94/41/1180669441.db2.gz TYLWWAFGNIUZMC-INIZCTEOSA-N 2 0 308.470 0.638 20 30 DCEDRP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001713401948 1180800943 /nfs/dbraw/zinc/80/09/43/1180800943.db2.gz WLTQSWPXSQGVLX-IRXDYDNUSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001713630268 1180978803 /nfs/dbraw/zinc/97/88/03/1180978803.db2.gz JNPVGASDSSKEKA-ZDUSSCGKSA-N 2 0 310.442 0.067 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001714151695 1181264513 /nfs/dbraw/zinc/26/45/13/1181264513.db2.gz SBZNYPFFNDNDBG-AWEZNQCLSA-N 2 0 322.453 0.259 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CCOC(C)C)CC1 ZINC001714571277 1181421467 /nfs/dbraw/zinc/42/14/67/1181421467.db2.gz BJTUXJWCXFECEL-UHFFFAOYSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCOCC[NH+]1CC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001714640930 1181457525 /nfs/dbraw/zinc/45/75/25/1181457525.db2.gz DJQUFLDIEMJDLF-JKSUJKDBSA-N 2 0 309.454 0.969 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001714898834 1181594903 /nfs/dbraw/zinc/59/49/03/1181594903.db2.gz YYPGVSKHXGYDLE-SJORKVTESA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001715124704 1181696476 /nfs/dbraw/zinc/69/64/76/1181696476.db2.gz NFBXCTXXHHMRDE-CXAGYDPISA-N 2 0 322.453 0.115 20 30 DCEDRP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@H]1CN(CC)CCO1 ZINC001715773555 1181988139 /nfs/dbraw/zinc/98/81/39/1181988139.db2.gz HHCSTBOKDJGUAE-CYBMUJFWSA-N 2 0 303.834 0.898 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001715962898 1182121603 /nfs/dbraw/zinc/12/16/03/1182121603.db2.gz RMLOIELMQBARNW-CVEARBPZSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001716112483 1182197106 /nfs/dbraw/zinc/19/71/06/1182197106.db2.gz NURVKTCJRDOHES-MRXNPFEDSA-N 2 0 303.406 0.452 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001716783208 1182525550 /nfs/dbraw/zinc/52/55/50/1182525550.db2.gz FASRTRCRPVYNAH-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH2+]C[C@H](NC(=O)COC1CC[NH+](C)CC1)C1CCCC1 ZINC001716823073 1182536346 /nfs/dbraw/zinc/53/63/46/1182536346.db2.gz FJXKMYFLEBIEFH-KRWDZBQOSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001716861036 1182552665 /nfs/dbraw/zinc/55/26/65/1182552665.db2.gz VYROPEUUHOBCKC-WBVHZDCISA-N 2 0 307.438 0.559 20 30 DCEDRP C=C(C)CC[NH2+]CCN(CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001717051140 1182649518 /nfs/dbraw/zinc/64/95/18/1182649518.db2.gz VNCMTBUZGALXLY-MRXNPFEDSA-N 2 0 309.454 0.705 20 30 DCEDRP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001717109822 1182680746 /nfs/dbraw/zinc/68/07/46/1182680746.db2.gz MVXDJYGZAGQYIM-CVEARBPZSA-N 2 0 307.438 0.416 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCC1 ZINC001717157588 1182699898 /nfs/dbraw/zinc/69/98/98/1182699898.db2.gz QPMSFUJONGVVCT-OAHLLOKOSA-N 2 0 307.438 0.607 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001717293155 1182769430 /nfs/dbraw/zinc/76/94/30/1182769430.db2.gz HMEJMXWXBOBGAH-IRXDYDNUSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001717325262 1182782374 /nfs/dbraw/zinc/78/23/74/1182782374.db2.gz UXDAHWWESFKGGV-HUUCEWRRSA-N 2 0 309.454 0.988 20 30 DCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001717325261 1182782590 /nfs/dbraw/zinc/78/25/90/1182782590.db2.gz UXDAHWWESFKGGV-GJZGRUSLSA-N 2 0 309.454 0.988 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)CCCO)CC1 ZINC001717376324 1182809489 /nfs/dbraw/zinc/80/94/89/1182809489.db2.gz NXFGXRCQOQDSNK-KRWDZBQOSA-N 2 0 321.465 0.637 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001717924302 1183063885 /nfs/dbraw/zinc/06/38/85/1183063885.db2.gz GWXFSCODHRDSMN-HZPDHXFCSA-N 2 0 309.454 0.541 20 30 DCEDRP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001724672490 1184509800 /nfs/dbraw/zinc/50/98/00/1184509800.db2.gz TXQSCKQCUOBDCU-CVEARBPZSA-N 2 0 309.454 0.990 20 30 DCEDRP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001724672494 1184510018 /nfs/dbraw/zinc/51/00/18/1184510018.db2.gz TXQSCKQCUOBDCU-HZPDHXFCSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CCO1 ZINC001724815491 1184571225 /nfs/dbraw/zinc/57/12/25/1184571225.db2.gz PROMMITYNOWGQV-HNNXBMFYSA-N 2 0 312.373 0.707 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001724842835 1184587037 /nfs/dbraw/zinc/58/70/37/1184587037.db2.gz JITIJFRUQJGKEA-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001725007091 1184653413 /nfs/dbraw/zinc/65/34/13/1184653413.db2.gz HIVHBHIEIOQLTK-MELADBBJSA-N 2 0 310.442 0.256 20 30 DCEDRP COCC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001725179850 1184711571 /nfs/dbraw/zinc/71/15/71/1184711571.db2.gz STYGVOXCVBNXNI-XHSDSOJGSA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCOCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001725246244 1184734738 /nfs/dbraw/zinc/73/47/38/1184734738.db2.gz GQMVSUBRRSNPDH-YOEHRIQHSA-N 2 0 321.465 0.967 20 30 DCEDRP CC#CC[N@H+](C)C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001725427305 1184817596 /nfs/dbraw/zinc/81/75/96/1184817596.db2.gz MWRCAKLHXHCUGL-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001725498871 1184848925 /nfs/dbraw/zinc/84/89/25/1184848925.db2.gz VSNAEMASDWYMDR-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001725580274 1184896189 /nfs/dbraw/zinc/89/61/89/1184896189.db2.gz IPOOCFXLACMZRM-CABCVRRESA-N 2 0 307.438 0.700 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001725593063 1184903360 /nfs/dbraw/zinc/90/33/60/1184903360.db2.gz WCPJYNLNGSKFFN-IRXDYDNUSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCOCC)[C@@H]2C)CC1 ZINC001725608408 1184910334 /nfs/dbraw/zinc/91/03/34/1184910334.db2.gz RZNQTERDUAJFEV-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001725716365 1184964606 /nfs/dbraw/zinc/96/46/06/1184964606.db2.gz XHPAPDMISQDOJE-JKSUJKDBSA-N 2 0 309.454 0.655 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CCOCC)C2)CC1 ZINC001732175415 1185721288 /nfs/dbraw/zinc/72/12/88/1185721288.db2.gz HPGAUVOILCTXKR-QGZVFWFLSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](CC#C)CC1 ZINC001732632054 1185881412 /nfs/dbraw/zinc/88/14/12/1185881412.db2.gz XHKSAEWTDNKULC-IRXDYDNUSA-N 2 0 301.434 0.839 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001732667054 1185907941 /nfs/dbraw/zinc/90/79/41/1185907941.db2.gz NUWZWFNYNRWYAT-CVEARBPZSA-N 2 0 309.454 0.587 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(CC)C(=O)C1CC[NH+](C)CC1 ZINC001732792927 1185972407 /nfs/dbraw/zinc/97/24/07/1185972407.db2.gz MISIMZVDAQHMSN-UHFFFAOYSA-N 2 0 310.442 0.069 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)COC)CC1 ZINC001733066056 1186125185 /nfs/dbraw/zinc/12/51/85/1186125185.db2.gz JWDSRPWQCUZCHF-LSDHHAIUSA-N 2 0 309.454 0.803 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001733076711 1186127599 /nfs/dbraw/zinc/12/75/99/1186127599.db2.gz HECVZVQPVCZWNV-HOTGVXAUSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CC[NH+](CCCO)CC1 ZINC001733372066 1186244795 /nfs/dbraw/zinc/24/47/95/1186244795.db2.gz YYJQSDRIYUZVOW-MRXNPFEDSA-N 2 0 321.465 0.637 20 30 DCEDRP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001733443794 1186272101 /nfs/dbraw/zinc/27/21/01/1186272101.db2.gz UUZDRGOKPPLAQR-GOSISDBHSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001733491643 1186300318 /nfs/dbraw/zinc/30/03/18/1186300318.db2.gz GRFLZVMUNDAOMF-FUHWJXTLSA-N 2 0 315.417 0.476 20 30 DCEDRP C#CCC[N@H+]1CC[C@](O)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001733495172 1186303442 /nfs/dbraw/zinc/30/34/42/1186303442.db2.gz MPXJEDVYXPGKAS-SFHVURJKSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH2+]CC[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001733668470 1186395730 /nfs/dbraw/zinc/39/57/30/1186395730.db2.gz MUKZRTJNQKMYCN-OAHLLOKOSA-N 2 0 317.437 0.520 20 30 DCEDRP COCC#CC[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001733867451 1186481389 /nfs/dbraw/zinc/48/13/89/1186481389.db2.gz KUUXVMZGHXMZFR-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001733869649 1186481454 /nfs/dbraw/zinc/48/14/54/1186481454.db2.gz MHQMBXGTKFBUCQ-UHFFFAOYSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001733900076 1186492920 /nfs/dbraw/zinc/49/29/20/1186492920.db2.gz JPVWBNDQCGISAD-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001734252311 1186593212 /nfs/dbraw/zinc/59/32/12/1186593212.db2.gz GTCZAVZYIOEPJX-CVEARBPZSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)C[NH+]2CCCC2)C1=O ZINC001734354634 1186621127 /nfs/dbraw/zinc/62/11/27/1186621127.db2.gz LTIYGFYHMBZPGD-HUUCEWRRSA-N 2 0 322.453 0.306 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001752775356 1188438711 /nfs/dbraw/zinc/43/87/11/1188438711.db2.gz HXQISOZUUJVHQP-XHSDSOJGSA-N 2 0 307.438 0.747 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]C[C@H](C)OC)C2)CC1 ZINC001752963250 1188468995 /nfs/dbraw/zinc/46/89/95/1188468995.db2.gz LKYDLRSBDHPXAW-JKSUJKDBSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001752997709 1188474203 /nfs/dbraw/zinc/47/42/03/1188474203.db2.gz XUYZPDHLTYCKEG-SJORKVTESA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CCC(C)(C)C)CC1 ZINC001753947196 1188692619 /nfs/dbraw/zinc/69/26/19/1188692619.db2.gz PSFRRLJAYRLJGD-MRXNPFEDSA-N 2 0 323.481 0.835 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+][C@@H](C)COC)CC1 ZINC001754025082 1188714333 /nfs/dbraw/zinc/71/43/33/1188714333.db2.gz DMPLTKUDMSJZKY-GJZGRUSLSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001754162529 1188765777 /nfs/dbraw/zinc/76/57/77/1188765777.db2.gz XNYZRWUXJBUGMC-WHJWBVKISA-N 2 0 322.453 0.281 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001754535427 1188875914 /nfs/dbraw/zinc/87/59/14/1188875914.db2.gz HYUSSTOEDCRDJH-GJZGRUSLSA-N 2 0 307.438 0.747 20 30 DCEDRP C#CCN(C(=O)CCCC[NH+](C)C)C1CC[NH+](CCO)CC1 ZINC001754642620 1188896495 /nfs/dbraw/zinc/89/64/95/1188896495.db2.gz RODVHMNXRZYJPU-UHFFFAOYSA-N 2 0 309.454 0.637 20 30 DCEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+]1CCC(NCC#N)CC1 ZINC001754851334 1188949143 /nfs/dbraw/zinc/94/91/43/1188949143.db2.gz KYXNOVGKBTUCEB-GASCZTMLSA-N 2 0 321.469 0.553 20 30 DCEDRP C=C(C)C[NH+]1CCC[C@@](CO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001754861722 1188954490 /nfs/dbraw/zinc/95/44/90/1188954490.db2.gz NVAGGPJORXOQGO-DOTOQJQBSA-N 2 0 309.454 0.847 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001755002004 1188992079 /nfs/dbraw/zinc/99/20/79/1188992079.db2.gz JFJIUGVULVLXTL-HZPDHXFCSA-N 2 0 305.422 0.169 20 30 DCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001755086598 1189017915 /nfs/dbraw/zinc/01/79/15/1189017915.db2.gz LKKDZIQNONAXCW-QGZVFWFLSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001755089959 1189018486 /nfs/dbraw/zinc/01/84/86/1189018486.db2.gz BMTPDBYFLNABIT-GOSISDBHSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001755559963 1189148350 /nfs/dbraw/zinc/14/83/50/1189148350.db2.gz MSGIKDPPTMVHRP-MRXNPFEDSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001755570059 1189149766 /nfs/dbraw/zinc/14/97/66/1189149766.db2.gz TXVKKVFKGBFXSE-INIZCTEOSA-N 2 0 317.437 0.518 20 30 DCEDRP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001755791090 1189214809 /nfs/dbraw/zinc/21/48/09/1189214809.db2.gz IBKAVRJHTBOSTG-CQSZACIVSA-N 2 0 313.442 0.082 20 30 DCEDRP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001755794606 1189217306 /nfs/dbraw/zinc/21/73/06/1189217306.db2.gz UPILGLYLJBVADD-OAHLLOKOSA-N 2 0 309.454 0.847 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001098536364 747059192 /nfs/dbraw/zinc/05/91/92/747059192.db2.gz HHKOBIZJONWHOT-UHFFFAOYSA-N 2 0 319.449 0.391 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001167608248 747425973 /nfs/dbraw/zinc/42/59/73/747425973.db2.gz CKKCBHGTAKPMDF-MRXNPFEDSA-N 2 0 309.454 0.997 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001167626707 747436302 /nfs/dbraw/zinc/43/63/02/747436302.db2.gz FWKUOWIVWMYJQR-HNNXBMFYSA-N 2 0 324.469 0.647 20 30 DCEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CN(C(C)C)CCO2)C[C@H]1C ZINC001104582368 747793733 /nfs/dbraw/zinc/79/37/33/747793733.db2.gz XLESPLZHCFOESZ-ZACQAIPSSA-N 2 0 321.465 0.803 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001203443082 749109193 /nfs/dbraw/zinc/10/91/93/749109193.db2.gz PZHQTAZATWOINK-AWEZNQCLSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(CC)CCO3)C[C@@H]2C1 ZINC001088208230 749290255 /nfs/dbraw/zinc/29/02/55/749290255.db2.gz REFQQHFFGLBYHE-PMPSAXMXSA-N 2 0 305.422 0.121 20 30 DCEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083524422 750098177 /nfs/dbraw/zinc/09/81/77/750098177.db2.gz UDQXBLVOFDVMLN-XHSDSOJGSA-N 2 0 307.438 0.434 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C ZINC001106767627 751271163 /nfs/dbraw/zinc/27/11/63/751271163.db2.gz KQJCVNWPVLNECZ-HZPDHXFCSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCC)C[C@H]2O)CC1 ZINC001078227270 753121987 /nfs/dbraw/zinc/12/19/87/753121987.db2.gz RQUJLFCMVJTZBL-HZPDHXFCSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001045685941 753294073 /nfs/dbraw/zinc/29/40/73/753294073.db2.gz LDNMPGAKXYYMLM-HOTGVXAUSA-N 2 0 319.449 0.559 20 30 DCEDRP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001046011015 753414610 /nfs/dbraw/zinc/41/46/10/753414610.db2.gz YPIOUWUXXPKUGO-HZPDHXFCSA-N 2 0 306.454 0.485 20 30 DCEDRP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001046035362 753438323 /nfs/dbraw/zinc/43/83/23/753438323.db2.gz JYULYZUEEWJJAZ-IRXDYDNUSA-N 2 0 318.465 0.178 20 30 DCEDRP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001046060927 753454927 /nfs/dbraw/zinc/45/49/27/753454927.db2.gz HZMYMZPIQMNSDY-DLBZAZTESA-N 2 0 320.481 0.424 20 30 DCEDRP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046077228 753468243 /nfs/dbraw/zinc/46/82/43/753468243.db2.gz SSJRSWUENVDUDW-INIZCTEOSA-N 2 0 318.465 0.487 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CCCO)C2)CC1 ZINC001046849548 753979387 /nfs/dbraw/zinc/97/93/87/753979387.db2.gz GTDAMJXJRIOKCO-QGZVFWFLSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001047500708 754336978 /nfs/dbraw/zinc/33/69/78/754336978.db2.gz GMPXSJROKVMNAG-VGWMRTNUSA-N 2 0 307.438 0.244 20 30 DCEDRP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943435 755032649 /nfs/dbraw/zinc/03/26/49/755032649.db2.gz DEBGMYFBZBITHR-SYGRHNPNSA-N 2 0 317.433 0.426 20 30 DCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080593247 756249259 /nfs/dbraw/zinc/24/92/59/756249259.db2.gz QNAKLZXCRTZRGM-UKRRQHHQSA-N 2 0 303.410 0.128 20 30 DCEDRP C=CC[NH2+][C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1C ZINC001054797364 756642627 /nfs/dbraw/zinc/64/26/27/756642627.db2.gz FXDJLJJGHQZDSH-GJZGRUSLSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CC[NH2+][C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001054797491 756642876 /nfs/dbraw/zinc/64/28/76/756642876.db2.gz HHWGUBQNQKPFSG-CABCVRRESA-N 2 0 307.438 0.415 20 30 DCEDRP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001050174451 757453934 /nfs/dbraw/zinc/45/39/34/757453934.db2.gz XYEPVKMHVXCKAB-DOTOQJQBSA-N 2 0 319.449 0.653 20 30 DCEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941403 758131472 /nfs/dbraw/zinc/13/14/72/758131472.db2.gz HEWXAXRMLXTKAM-IKGGRYGDSA-N 2 0 301.434 0.884 20 30 DCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098372087 762657185 /nfs/dbraw/zinc/65/71/85/762657185.db2.gz SFEPKMXEDKIBTP-NVXWUHKLSA-N 2 0 321.465 0.635 20 30 DCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085279684 758796796 /nfs/dbraw/zinc/79/67/96/758796796.db2.gz XNRRSDQTDPWTLJ-YLADIXGZSA-N 2 0 317.433 0.500 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2C[C@H](C)O)CC1 ZINC001085987025 759547221 /nfs/dbraw/zinc/54/72/21/759547221.db2.gz RPUOSKSXTVIYEI-HOCLYGCPSA-N 2 0 307.438 0.245 20 30 DCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001086221902 759861896 /nfs/dbraw/zinc/86/18/96/759861896.db2.gz QPMBUBCGUNWCCK-OTVXOJSOSA-N 2 0 305.426 0.729 20 30 DCEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001098418681 759906054 /nfs/dbraw/zinc/90/60/54/759906054.db2.gz AQTSCJOIEARKGB-UHFFFAOYSA-N 2 0 319.449 0.533 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070275339 761160608 /nfs/dbraw/zinc/16/06/08/761160608.db2.gz HEFNCORMRHPIKM-ZNMIVQPWSA-N 2 0 318.425 0.147 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001148755027 768035913 /nfs/dbraw/zinc/03/59/13/768035913.db2.gz OFZLXFJBVFGCCZ-UHFFFAOYSA-N 2 0 305.422 0.266 20 30 DCEDRP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C1CCC1)C[C@H](C)O2 ZINC001071175823 761684670 /nfs/dbraw/zinc/68/46/70/761684670.db2.gz LRGRSLKESKWJSK-MAUKXSAKSA-N 2 0 319.449 0.796 20 30 DCEDRP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@H](C)O2 ZINC001071241561 761733266 /nfs/dbraw/zinc/73/32/66/761733266.db2.gz WTSNZTNMXWBJEX-DOTOQJQBSA-N 2 0 305.422 0.407 20 30 DCEDRP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)COCC[NH+](C)C ZINC001099547529 762896782 /nfs/dbraw/zinc/89/67/82/762896782.db2.gz HEFUJMCHLYPXTR-HZMVEIRTSA-N 2 0 319.449 0.367 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129856199 763025668 /nfs/dbraw/zinc/02/56/68/763025668.db2.gz OGBJCLWUJQNZFL-KBPBESRZSA-N 2 0 310.442 0.257 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1=O ZINC001129891419 763034591 /nfs/dbraw/zinc/03/45/91/763034591.db2.gz LKZDHVOUSBBHBW-JHJVBQTASA-N 2 0 317.393 0.006 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001100444673 763583317 /nfs/dbraw/zinc/58/33/17/763583317.db2.gz VECUKERSTKZRPM-JXQTWKCFSA-N 2 0 310.442 0.113 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100620991 763686409 /nfs/dbraw/zinc/68/64/09/763686409.db2.gz HGUJCQCPRGPYSN-WLYUNCDWSA-N 2 0 324.469 0.503 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001100899925 763847164 /nfs/dbraw/zinc/84/71/64/763847164.db2.gz ICKJPILXZKGQKA-UHFFFAOYSA-N 2 0 310.442 0.115 20 30 DCEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001100989345 763901796 /nfs/dbraw/zinc/90/17/96/763901796.db2.gz UUEQMRMJWSUILT-QQFBHYJXSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCC[NH+](C)C)C[C@@H](C)O2 ZINC001131682654 763935235 /nfs/dbraw/zinc/93/52/35/763935235.db2.gz RHLQAZTVWURTHF-NVXWUHKLSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@@H+](C)CCC)C[C@H](C)O2 ZINC001131697621 763957235 /nfs/dbraw/zinc/95/72/35/763957235.db2.gz OBVLGQLLBVWLLX-DOTOQJQBSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132286263 764353128 /nfs/dbraw/zinc/35/31/28/764353128.db2.gz GAVCMIPPNKMMKF-ZDUSSCGKSA-N 2 0 310.442 0.257 20 30 DCEDRP C#CCC[NH+](CCO)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001098479187 764492359 /nfs/dbraw/zinc/49/23/59/764492359.db2.gz WJCXFEBDNZIAEL-INIZCTEOSA-N 2 0 321.465 0.779 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048437 764508965 /nfs/dbraw/zinc/50/89/65/764508965.db2.gz BKSXFTRNUGNAHS-DJIMGWMZSA-N 2 0 321.465 0.661 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514286 764675022 /nfs/dbraw/zinc/67/50/22/764675022.db2.gz SPIOHHIAOXAVIY-BRWVUGGUSA-N 2 0 321.465 0.662 20 30 DCEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102581072 764711188 /nfs/dbraw/zinc/71/11/88/764711188.db2.gz YGEGLYRKHYXLAA-BRWVUGGUSA-N 2 0 321.465 0.662 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@@H](C[NH2+]CCO)C2)CC1 ZINC001133338044 764932864 /nfs/dbraw/zinc/93/28/64/764932864.db2.gz SDQZNLBKYYIJSG-WBVHZDCISA-N 2 0 321.465 0.398 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133870597 765184945 /nfs/dbraw/zinc/18/49/45/765184945.db2.gz UUDVVBDASLFBNI-GJZGRUSLSA-N 2 0 324.469 0.315 20 30 DCEDRP COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134613099 765589517 /nfs/dbraw/zinc/58/95/17/765589517.db2.gz SDAGUAJJMXNRSQ-HUUCEWRRSA-N 2 0 309.454 0.993 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773650 765666601 /nfs/dbraw/zinc/66/66/01/765666601.db2.gz PVLWOINRIGVCTG-ZIAGYGMSSA-N 2 0 324.469 0.339 20 30 DCEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H](O)C1 ZINC001090523432 765983311 /nfs/dbraw/zinc/98/33/11/765983311.db2.gz QNECRLUEHCBCGO-UONOGXRCSA-N 2 0 307.394 0.692 20 30 DCEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001086785026 766118978 /nfs/dbraw/zinc/11/89/78/766118978.db2.gz GJTBEBCBONFALZ-XHSDSOJGSA-N 2 0 307.438 0.603 20 30 DCEDRP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135925102 766173309 /nfs/dbraw/zinc/17/33/09/766173309.db2.gz YGICFODENQRGDR-GJZGRUSLSA-N 2 0 315.458 0.640 20 30 DCEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001090672934 766455766 /nfs/dbraw/zinc/45/57/66/766455766.db2.gz HJRRHSUQXMMERJ-HOTGVXAUSA-N 2 0 309.454 0.846 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC001090691725 766480004 /nfs/dbraw/zinc/48/00/04/766480004.db2.gz ICKVVIQPDMAZQR-HZPDHXFCSA-N 2 0 309.454 0.844 20 30 DCEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090731827 766528050 /nfs/dbraw/zinc/52/80/50/766528050.db2.gz WYKMWYUQUFGUCG-CABCVRRESA-N 2 0 307.438 0.600 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171161575 766862482 /nfs/dbraw/zinc/86/24/82/766862482.db2.gz ORZKVCKLUYCACX-GJZGRUSLSA-N 2 0 324.469 0.505 20 30 DCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC001091164582 766975007 /nfs/dbraw/zinc/97/50/07/766975007.db2.gz RSZYKSMUWGGYGQ-OFLPRAFFSA-N 2 0 319.449 0.605 20 30 DCEDRP C=CC[NH2+]C1CC(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001091277403 767077798 /nfs/dbraw/zinc/07/77/98/767077798.db2.gz QPMBUBCGUNWCCK-UHFFFAOYSA-N 2 0 305.426 0.729 20 30 DCEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1(C[NH3+])CC(O)C1)C(C)C ZINC001121991009 767691892 /nfs/dbraw/zinc/69/18/92/767691892.db2.gz KLIHXYBYXLHPCG-CKDBGZEDSA-N 2 0 309.454 0.901 20 30 DCEDRP O=C(C[NH+]1CCCC1)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001151098350 769260114 /nfs/dbraw/zinc/26/01/14/769260114.db2.gz XOPVWKKURHIRKD-UHFFFAOYSA-N 2 0 303.381 0.979 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H](OC)C2CCC2)CC1 ZINC001152330500 769529160 /nfs/dbraw/zinc/52/91/60/769529160.db2.gz QDKYBSAXOKXSEQ-QGZVFWFLSA-N 2 0 321.465 0.853 20 30 DCEDRP Cc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(C#N)c1 ZINC001236312617 769996157 /nfs/dbraw/zinc/99/61/57/769996157.db2.gz VEWLZJQNAXZMSP-UHFFFAOYSA-N 2 0 317.437 0.483 20 30 DCEDRP C=CCOCC[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176160312 770049174 /nfs/dbraw/zinc/04/91/74/770049174.db2.gz ALXSZKKYVNYHDO-OAHLLOKOSA-N 2 0 313.442 0.253 20 30 DCEDRP C[NH+]1CCN(c2ccc(NS(=O)(=O)CC[NH3+])cc2C#N)CC1 ZINC001237622862 770068942 /nfs/dbraw/zinc/06/89/42/770068942.db2.gz XCCILNOXTMDSQF-UHFFFAOYSA-N 2 0 323.422 0.010 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001176844536 770188681 /nfs/dbraw/zinc/18/86/81/770188681.db2.gz KPMZCBOWPPQWPG-KBPBESRZSA-N 2 0 310.442 0.257 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)CC[NH+](C)C ZINC001179464506 771009189 /nfs/dbraw/zinc/00/91/89/771009189.db2.gz VMZPJTFVKBLTIN-OAHLLOKOSA-N 2 0 324.469 0.342 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001179852176 771023627 /nfs/dbraw/zinc/02/36/27/771023627.db2.gz CCHFJGAFHDXWTP-ILXRZTDVSA-N 2 0 324.469 0.598 20 30 DCEDRP N#Cc1ccccc1N1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001157474058 771616108 /nfs/dbraw/zinc/61/61/08/771616108.db2.gz KVVOAPFXMQAHFX-AWEZNQCLSA-N 2 0 301.394 0.273 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001183773592 771699431 /nfs/dbraw/zinc/69/94/31/771699431.db2.gz QIRZOGANRWHZFB-CYBMUJFWSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158380294 771766083 /nfs/dbraw/zinc/76/60/83/771766083.db2.gz PABAHKHPWUKGJI-MGPQQGTHSA-N 2 0 310.442 0.113 20 30 DCEDRP N#Cc1cc(Nc2ccncc2C[NH3+])ccc1N1CC[NH2+]CC1 ZINC001159749069 771951931 /nfs/dbraw/zinc/95/19/31/771951931.db2.gz XDSFXOKPBZLZBA-UHFFFAOYSA-N 2 0 308.389 0.987 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H](c2cccnc2)N(C)C)C1 ZINC001188172769 772274246 /nfs/dbraw/zinc/27/42/46/772274246.db2.gz OFTRDQKXYAAVLB-CVEARBPZSA-N 2 0 300.406 0.898 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)(COC)CC1 ZINC001162481603 772378888 /nfs/dbraw/zinc/37/88/88/772378888.db2.gz BMMBTAHICXFMRA-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)(COC)CC1 ZINC001162603963 772396419 /nfs/dbraw/zinc/39/64/19/772396419.db2.gz FEOMNYXJUYICDE-OAHLLOKOSA-N 2 0 307.438 0.416 20 30 DCEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)(COC)CC1 ZINC001162604121 772396462 /nfs/dbraw/zinc/39/64/62/772396462.db2.gz HVEBVUUXGMQVLZ-OAHLLOKOSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CC[N@H+]1C[C@@H]2CCN(C(=O)COC[C@@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001189181528 772432539 /nfs/dbraw/zinc/43/25/39/772432539.db2.gz ALYLKHCUSRXEMJ-IXDOHACOSA-N 2 0 319.449 0.653 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163222984 772484061 /nfs/dbraw/zinc/48/40/61/772484061.db2.gz DBXFWLNKBUZAGA-INIZCTEOSA-N 2 0 322.453 0.259 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190237994 772609215 /nfs/dbraw/zinc/60/92/15/772609215.db2.gz GXWPAETYMXCMFG-BZUAXINKSA-N 2 0 307.438 0.509 20 30 DCEDRP C=CCOCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001164536499 772675415 /nfs/dbraw/zinc/67/54/15/772675415.db2.gz SRTPQZUVYUGODQ-OAHLLOKOSA-N 2 0 313.442 0.394 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001190946342 772696406 /nfs/dbraw/zinc/69/64/06/772696406.db2.gz JFANVBBCCNQYEY-CVEARBPZSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)CCC[NH+](C)C)C1=O ZINC001165360916 772728668 /nfs/dbraw/zinc/72/86/68/772728668.db2.gz VSYLVRNWQAIOJY-AWEZNQCLSA-N 2 0 310.442 0.211 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001191966682 772854110 /nfs/dbraw/zinc/85/41/10/772854110.db2.gz AIHADDOKRZJILX-ULQDDVLXSA-N 2 0 321.465 0.899 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C)C1=O ZINC001166858027 772871621 /nfs/dbraw/zinc/87/16/21/772871621.db2.gz LBYDWIDWGCJGFS-KGLIPLIRSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001192425360 772916190 /nfs/dbraw/zinc/91/61/90/772916190.db2.gz GCACMCZMIVBOHQ-JKSUJKDBSA-N 2 0 307.438 0.653 20 30 DCEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001205345771 772988191 /nfs/dbraw/zinc/98/81/91/772988191.db2.gz YAHLPDZSSYFVHY-DLBZAZTESA-N 2 0 319.449 0.701 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001193026543 772997748 /nfs/dbraw/zinc/99/77/48/772997748.db2.gz KWPPIFKDVCWRJC-QGZVFWFLSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193500262 773069746 /nfs/dbraw/zinc/06/97/46/773069746.db2.gz REHXVKKZRDOHRZ-OAHLLOKOSA-N 2 0 307.438 0.818 20 30 DCEDRP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001193455978 773072120 /nfs/dbraw/zinc/07/21/20/773072120.db2.gz JPIQJKVZFAYQLH-RBSFLKMASA-N 2 0 315.433 0.794 20 30 DCEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001206929941 773138128 /nfs/dbraw/zinc/13/81/28/773138128.db2.gz KCJLMTQVQJVEIK-OAHLLOKOSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210482006 773710951 /nfs/dbraw/zinc/71/09/51/773710951.db2.gz JAKYZBWECQVARP-AWEZNQCLSA-N 2 0 310.442 0.211 20 30 DCEDRP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211046415 773763060 /nfs/dbraw/zinc/76/30/60/773763060.db2.gz OLRIQXSISCXUOV-BZUAXINKSA-N 2 0 309.454 0.967 20 30 DCEDRP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211046416 773763104 /nfs/dbraw/zinc/76/31/04/773763104.db2.gz OLRIQXSISCXUOV-OWCLPIDISA-N 2 0 309.454 0.967 20 30 DCEDRP COCC#CCN1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001197817666 773811773 /nfs/dbraw/zinc/81/17/73/773811773.db2.gz OWVRCLKAECFWMK-MRXNPFEDSA-N 2 0 307.438 0.512 20 30 DCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216757868 774134127 /nfs/dbraw/zinc/13/41/27/774134127.db2.gz OSCODRJDQLSJAR-OWCLPIDISA-N 2 0 307.438 0.415 20 30 DCEDRP N#Cc1cc2cccnc2nc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218544024 774243111 /nfs/dbraw/zinc/24/31/11/774243111.db2.gz BLHFDTUXCXWXJG-CYBMUJFWSA-N 2 0 310.361 0.767 20 30 DCEDRP N#Cc1c2c(sc1NC(=O)[C@@H]([NH3+])Cn1cccn1)C[NH2+]CC2 ZINC001218551984 774245140 /nfs/dbraw/zinc/24/51/40/774245140.db2.gz WXIBCIWUGMMTHG-NSHDSACASA-N 2 0 316.390 0.428 20 30 DCEDRP N#Cc1c(NC(=O)C[C@H]2COCC[NH2+]2)sc2c1CC[NH2+]C2 ZINC001218554355 774246309 /nfs/dbraw/zinc/24/63/09/774246309.db2.gz YGSXKDBTDJFNPU-VIFPVBQESA-N 2 0 306.391 0.582 20 30 DCEDRP N#Cc1c(NC(=O)[C@@H]([NH3+])CCCC[NH3+])sc2c1CC[NH2+]C2 ZINC001218553644 774246320 /nfs/dbraw/zinc/24/63/20/774246320.db2.gz RJLIHCHUKWZKOD-NSHDSACASA-N 3 0 307.423 0.660 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001201309682 774485748 /nfs/dbraw/zinc/48/57/48/774485748.db2.gz SOLNZOKXWXDYEC-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219910695 774644315 /nfs/dbraw/zinc/64/43/15/774644315.db2.gz ORXCXFBPQXUQHO-CVEARBPZSA-N 2 0 318.421 0.645 20 30 DCEDRP COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cncc1C)C2 ZINC001110817333 774789452 /nfs/dbraw/zinc/78/94/52/774789452.db2.gz ZDFKELAEVHPDCH-OAGGEKHMSA-N 2 0 316.405 0.563 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114412095 774848942 /nfs/dbraw/zinc/84/89/42/774848942.db2.gz QBBCMGJESNNLCA-QLPKVWCKSA-N 2 0 305.422 0.167 20 30 DCEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220648479 774876464 /nfs/dbraw/zinc/87/64/64/774876464.db2.gz FKIRLCDSFDAEBR-RHSMWYFYSA-N 2 0 300.406 0.616 20 30 DCEDRP N#Cc1ccccc1OCCCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220685376 774890740 /nfs/dbraw/zinc/89/07/40/774890740.db2.gz VKNUHJGQLCZPED-CQSZACIVSA-N 2 0 314.389 0.252 20 30 DCEDRP COC(=O)[C@H](CCC[NH3+])NC(=O)C[C@@H]([NH3+])c1ccc(C#N)cc1 ZINC001221190340 775021363 /nfs/dbraw/zinc/02/13/63/775021363.db2.gz JQMRTKSZPACENC-KGLIPLIRSA-N 2 0 318.377 0.345 20 30 DCEDRP CC[N@H+](C)CCC(=O)NCC1CC[NH+](CC#CCOC)CC1 ZINC001225087832 775641061 /nfs/dbraw/zinc/64/10/61/775641061.db2.gz NDPJLQYGZDTBFV-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001111411612 775848516 /nfs/dbraw/zinc/84/85/16/775848516.db2.gz SIQAUFNNSBGKFV-VQHPVUNQSA-N 2 0 319.449 0.700 20 30 DCEDRP COCC#CC[NH+]1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001229461935 776192997 /nfs/dbraw/zinc/19/29/97/776192997.db2.gz GDJNVMBFYRLFPG-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001114851231 776254546 /nfs/dbraw/zinc/25/45/46/776254546.db2.gz ADVBENZBIGXVNJ-LISAXSMJSA-N 2 0 319.449 0.557 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CCOCC)CC2)CC1 ZINC001230355119 776285672 /nfs/dbraw/zinc/28/56/72/776285672.db2.gz SQZLQBNQTGBATB-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](CCO)C3)C2)CC1 ZINC001041845071 777537434 /nfs/dbraw/zinc/53/74/34/777537434.db2.gz SGHDEDFTODOXLR-GOSISDBHSA-N 2 0 319.449 0.248 20 30 DCEDRP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCCOC)CC1 ZINC001278200663 945178427 /nfs/dbraw/zinc/17/84/27/945178427.db2.gz PYFZTKQYVJPROI-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCOCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001317811583 945193755 /nfs/dbraw/zinc/19/37/55/945193755.db2.gz OVGSLNUZBQJFJQ-CVEARBPZSA-N 2 0 309.454 0.969 20 30 DCEDRP C#CCN1C[C@]2(CC1=O)COCC[N@H+](CC1CC[NH2+]CC1)C2 ZINC001273031353 945209128 /nfs/dbraw/zinc/20/91/28/945209128.db2.gz VUXNLHLMKDCZCX-QGZVFWFLSA-N 2 0 305.422 0.170 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001267110762 939347647 /nfs/dbraw/zinc/34/76/47/939347647.db2.gz ICHSJSGPNMVIIT-LSDHHAIUSA-N 2 0 324.469 0.552 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001267201359 939384226 /nfs/dbraw/zinc/38/42/26/939384226.db2.gz MUZOBSIUENZCTM-AWEZNQCLSA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCN1CC[C@H]([N@H+](CC)CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001267256252 939405027 /nfs/dbraw/zinc/40/50/27/939405027.db2.gz OSWNLFYCMYFCHF-HNNXBMFYSA-N 2 0 322.453 0.307 20 30 DCEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001267279989 939413575 /nfs/dbraw/zinc/41/35/75/939413575.db2.gz PNDGAPYJCKNGHS-OAHLLOKOSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267303607 939420311 /nfs/dbraw/zinc/42/03/11/939420311.db2.gz PQPKOGUTIIMQEW-HOTGVXAUSA-N 2 0 307.438 0.416 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001267569291 939504211 /nfs/dbraw/zinc/50/42/11/939504211.db2.gz SBTLVOHKVIYFGY-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001481120847 939572433 /nfs/dbraw/zinc/57/24/33/939572433.db2.gz MUBSODYPMIDSBY-INIZCTEOSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CCOCC)C2)CC1 ZINC001481125064 939574101 /nfs/dbraw/zinc/57/41/01/939574101.db2.gz AOXNENGCNATJJY-MRXNPFEDSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@@H+](C[C@@H](C)O)C2)CC1 ZINC001481461801 939875523 /nfs/dbraw/zinc/87/55/23/939875523.db2.gz IXOMVWBTCWZCCQ-HZPDHXFCSA-N 2 0 321.465 0.541 20 30 DCEDRP C=CCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001481469709 939884115 /nfs/dbraw/zinc/88/41/15/939884115.db2.gz YBIBJMSDURPUTD-IAGOWNOFSA-N 2 0 322.497 0.979 20 30 DCEDRP CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001278405487 945284498 /nfs/dbraw/zinc/28/44/98/945284498.db2.gz WSAMTZGUCYNKRE-GOEBONIOSA-N 2 0 317.437 0.661 20 30 DCEDRP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001481508109 939907113 /nfs/dbraw/zinc/90/71/13/939907113.db2.gz IGFAFBPZLAKONT-MRXNPFEDSA-N 2 0 301.434 0.745 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)C[NH+]2CCCC2)C1=O ZINC001268100508 939947287 /nfs/dbraw/zinc/94/72/87/939947287.db2.gz NPHRMWXNAJYLRX-CABCVRRESA-N 2 0 322.453 0.306 20 30 DCEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001268321346 940057098 /nfs/dbraw/zinc/05/70/98/940057098.db2.gz MOSMTUQYQRLZCE-XJKSGUPXSA-N 2 0 313.417 0.289 20 30 DCEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001246005528 945311665 /nfs/dbraw/zinc/31/16/65/945311665.db2.gz YRQYKIRUFHQTAU-KBPBESRZSA-N 2 0 315.458 0.552 20 30 DCEDRP COCC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001268790471 940362219 /nfs/dbraw/zinc/36/22/19/940362219.db2.gz GBDORDMFOGMUFZ-INIZCTEOSA-N 2 0 309.454 0.947 20 30 DCEDRP CCOC(=O)C[C@@H]([NH2+][C@H]1CCN[C@H](C#N)C1)C1CC[NH2+]CC1 ZINC001246226696 945367494 /nfs/dbraw/zinc/36/74/94/945367494.db2.gz IZUUMHLUZKXNKD-SOUVJXGZSA-N 2 0 308.426 0.542 20 30 DCEDRP C#CC[NH2+]C1CCN(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001271932233 941483651 /nfs/dbraw/zinc/48/36/51/941483651.db2.gz OEHSJKVKKBMWEF-QGZVFWFLSA-N 2 0 320.481 0.664 20 30 DCEDRP C#CC[NH2+][C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)C(C)C ZINC001482560486 941504668 /nfs/dbraw/zinc/50/46/68/941504668.db2.gz XRBDWOCHFPRDCO-OAHLLOKOSA-N 2 0 305.426 0.422 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001482691254 941625852 /nfs/dbraw/zinc/62/58/52/941625852.db2.gz BSABBBAMFVZTLE-GOEBONIOSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482944755 941721993 /nfs/dbraw/zinc/72/19/93/941721993.db2.gz NQGMQVUKQQXUMF-AWEZNQCLSA-N 2 0 310.442 0.211 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001272196123 941793597 /nfs/dbraw/zinc/79/35/97/941793597.db2.gz JDZGIDCQWVHLQO-CVEARBPZSA-N 2 0 307.438 0.437 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC#CCOC)C1 ZINC001483257568 942212446 /nfs/dbraw/zinc/21/24/46/942212446.db2.gz FARNXHXUONKHSO-JKSUJKDBSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001483790887 942955903 /nfs/dbraw/zinc/95/59/03/942955903.db2.gz NQOZTQJSVNBGKP-CYBMUJFWSA-N 2 0 308.426 0.011 20 30 DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001484854696 943601418 /nfs/dbraw/zinc/60/14/18/943601418.db2.gz WGMDXVUAQJYZHR-SFHVURJKSA-N 2 0 321.465 0.829 20 30 DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001484855077 943601478 /nfs/dbraw/zinc/60/14/78/943601478.db2.gz HANQDLMONBXQFK-KRWDZBQOSA-N 2 0 309.454 0.685 20 30 DCEDRP C#CCC[NH2+]CC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCOCC1 ZINC001484864018 943606283 /nfs/dbraw/zinc/60/62/83/943606283.db2.gz KJPHMUGCRIQAAB-INIZCTEOSA-N 2 0 319.449 0.607 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001484963529 943634359 /nfs/dbraw/zinc/63/43/59/943634359.db2.gz QHTOOUGVGJMSNU-UHFFFAOYSA-N 2 0 318.421 0.654 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001485154346 943721524 /nfs/dbraw/zinc/72/15/24/943721524.db2.gz DESBLBMPRUGEJQ-CHWSQXEVSA-N 2 0 310.442 0.256 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001491073613 943738809 /nfs/dbraw/zinc/73/88/09/943738809.db2.gz NDMPSMPHDHNWLM-GUTXKFCHSA-N 2 0 310.442 0.112 20 30 DCEDRP C=C(C)C[NH2+][C@H](C)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001276812777 944310442 /nfs/dbraw/zinc/31/04/42/944310442.db2.gz MBCYYGCWFGXMPN-HUUCEWRRSA-N 2 0 307.438 0.864 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CC2CC(C)C2)CC1 ZINC001486065955 944527356 /nfs/dbraw/zinc/52/73/56/944527356.db2.gz LLECFORDIHVYHR-DQPZFDDXSA-N 2 0 321.465 0.444 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001277087909 944656435 /nfs/dbraw/zinc/65/64/35/944656435.db2.gz SVEMMDBYSDQKEY-XQLPTFJDSA-N 2 0 322.453 0.113 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C2(CNC(=O)[C@H](CC)[NH+](C)C)CC2)C1=O ZINC001277178202 944693373 /nfs/dbraw/zinc/69/33/73/944693373.db2.gz TXCNCEUZMUZZAZ-KGLIPLIRSA-N 2 0 322.453 0.352 20 30 DCEDRP C=CCCC[NH2+]C[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001486287894 944700217 /nfs/dbraw/zinc/70/02/17/944700217.db2.gz HCHKOYHAJIKOLJ-HNNXBMFYSA-N 2 0 309.454 0.990 20 30 DCEDRP COCC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001317005084 944733469 /nfs/dbraw/zinc/73/34/69/944733469.db2.gz DWYBNIUYGUBVLF-HOTGVXAUSA-N 2 0 319.449 0.559 20 30 DCEDRP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001317040660 944754020 /nfs/dbraw/zinc/75/40/20/944754020.db2.gz FNLRIMLJQLIWJJ-HNNXBMFYSA-N 2 0 324.469 0.411 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001317114176 944803730 /nfs/dbraw/zinc/80/37/30/944803730.db2.gz TWNFKOGMYYOPOA-MCIONIFRSA-N 2 0 322.453 0.398 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001317135900 944818567 /nfs/dbraw/zinc/81/85/67/944818567.db2.gz TZUIOTSNVIWMGL-HUUCEWRRSA-N 2 0 324.469 0.457 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001317339218 944932222 /nfs/dbraw/zinc/93/22/22/944932222.db2.gz HKFVPNCGNMVPPI-KRWDZBQOSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001277676655 944939853 /nfs/dbraw/zinc/93/98/53/944939853.db2.gz AHVSBHLQJVTAAN-HZPDHXFCSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001317416295 944963899 /nfs/dbraw/zinc/96/38/99/944963899.db2.gz TWBQWVHXCDWLPF-LSDHHAIUSA-N 2 0 322.453 0.095 20 30 DCEDRP N#CCC1CN(C(=O)[C@@H]2CC23C[NH+](CC2CC[NH2+]CC2)C3)C1 ZINC001277822689 944993765 /nfs/dbraw/zinc/99/37/65/944993765.db2.gz XLJQANAEBXDWEY-HNNXBMFYSA-N 2 0 302.422 0.680 20 30 DCEDRP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC#CCOC ZINC001318563301 945401284 /nfs/dbraw/zinc/40/12/84/945401284.db2.gz VJLYREGXYVHSAV-HRCADAONSA-N 2 0 309.454 0.851 20 30 DCEDRP N#Cc1ccc(N2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246786906 945489481 /nfs/dbraw/zinc/48/94/81/945489481.db2.gz BFKCYIXAOUTMGD-QGZVFWFLSA-N 2 0 311.433 0.774 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001319085790 945493622 /nfs/dbraw/zinc/49/36/22/945493622.db2.gz SITHHVVEYLHFDF-RBSFLKMASA-N 2 0 322.453 0.045 20 30 DCEDRP C[C@H](Cc1ccc(C#N)cc1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246822010 945498433 /nfs/dbraw/zinc/49/84/33/945498433.db2.gz QFYJFORLRVXDSD-MRXNPFEDSA-N 2 0 315.465 0.574 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC1 ZINC001273185923 945721350 /nfs/dbraw/zinc/72/13/50/945721350.db2.gz DZAKRKFKIIDLRT-OAHLLOKOSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]C[C@@H](C)O)CCC2)CC1 ZINC001273201043 945778343 /nfs/dbraw/zinc/77/83/43/945778343.db2.gz INPZPTKAYWAVML-CQSZACIVSA-N 2 0 307.438 0.341 20 30 DCEDRP C=CCOC[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001252494953 945950096 /nfs/dbraw/zinc/95/00/96/945950096.db2.gz IGDDWHXTUAMKPX-KKUMJFAQSA-N 2 0 313.442 0.129 20 30 DCEDRP CCN(CC[NH2+]CC#CCOC)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001320737773 945999203 /nfs/dbraw/zinc/99/92/03/945999203.db2.gz NTFCWSLVHMRFRR-MRXNPFEDSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCOCC1 ZINC001278723009 946125007 /nfs/dbraw/zinc/12/50/07/946125007.db2.gz RGOULJPTTSBZKQ-OAHLLOKOSA-N 2 0 307.438 0.607 20 30 DCEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001278777357 946363431 /nfs/dbraw/zinc/36/34/31/946363431.db2.gz YRNBONUBCHVTQP-RDJZCZTQSA-N 2 0 307.438 0.436 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001321609161 946396576 /nfs/dbraw/zinc/39/65/76/946396576.db2.gz LQUXUYMCZLRIRM-ZIAGYGMSSA-N 2 0 324.469 0.646 20 30 DCEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001278797707 946414515 /nfs/dbraw/zinc/41/45/15/946414515.db2.gz LGZJSWSUPUZTQF-DLBZAZTESA-N 2 0 321.465 0.826 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001273298025 946446025 /nfs/dbraw/zinc/44/60/25/946446025.db2.gz HDJVPRADKTXJFO-KGLIPLIRSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001322004665 946546868 /nfs/dbraw/zinc/54/68/68/946546868.db2.gz VTLSVCQQTCYGAQ-KBPBESRZSA-N 2 0 324.469 0.503 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001279027952 946751108 /nfs/dbraw/zinc/75/11/08/946751108.db2.gz KMMGHLLRRLTCMU-UONOGXRCSA-N 2 0 324.469 0.361 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCCOC)CC1 ZINC001323356896 947053487 /nfs/dbraw/zinc/05/34/87/947053487.db2.gz MEJAFXNZEMMQIH-INIZCTEOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+][C@@H](C)COC)CC2)CC1 ZINC001323616076 947145904 /nfs/dbraw/zinc/14/59/04/947145904.db2.gz HBSNQVYNRWBDHR-AWEZNQCLSA-N 2 0 307.438 0.605 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001411049404 947270312 /nfs/dbraw/zinc/27/03/12/947270312.db2.gz WXTCKYJVRWDVEI-LBPRGKRZSA-N 2 0 303.834 0.632 20 30 DCEDRP N#CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001261501525 947320242 /nfs/dbraw/zinc/32/02/42/947320242.db2.gz DPADCEGOULXRBH-CABCVRRESA-N 2 0 308.426 0.767 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001411109029 947344256 /nfs/dbraw/zinc/34/42/56/947344256.db2.gz ZJEIJBUUODAGKH-WCQYABFASA-N 2 0 303.834 0.490 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001324518392 947446682 /nfs/dbraw/zinc/44/66/82/947446682.db2.gz TXJLZABIFDRGOR-QGZVFWFLSA-N 2 0 321.465 0.997 20 30 DCEDRP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001325112278 947660653 /nfs/dbraw/zinc/66/06/53/947660653.db2.gz ZPQIODKWIBHAMK-MRXNPFEDSA-N 2 0 305.422 0.191 20 30 DCEDRP C=CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001325836673 947945428 /nfs/dbraw/zinc/94/54/28/947945428.db2.gz UOHFWIASVUHRKC-BFYDXBDKSA-N 2 0 309.454 0.846 20 30 DCEDRP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCCN1CC[NH+](C)CC1 ZINC001273728284 948051432 /nfs/dbraw/zinc/05/14/32/948051432.db2.gz KHLJWQCEKVHUFM-IAGOWNOFSA-N 2 0 320.481 0.875 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001327603502 948568661 /nfs/dbraw/zinc/56/86/61/948568661.db2.gz OCKYSJRQFDTDKA-QGZVFWFLSA-N 2 0 309.454 0.685 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001263857022 948784597 /nfs/dbraw/zinc/78/45/97/948784597.db2.gz JDJMPWLAPSQVQA-KBUPBQIOSA-N 2 0 322.453 0.256 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001263875084 948792701 /nfs/dbraw/zinc/79/27/01/948792701.db2.gz FZBZHEGLYLYYON-QAQDUYKDSA-N 2 0 321.465 0.853 20 30 DCEDRP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001264080049 948874399 /nfs/dbraw/zinc/87/43/99/948874399.db2.gz FJBOSPHCWKMUHG-MRXNPFEDSA-N 2 0 319.449 0.391 20 30 DCEDRP O=C(NCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1N=CC=CC1=O ZINC001328479354 948915457 /nfs/dbraw/zinc/91/54/57/948915457.db2.gz XLXLHWKLQKEBDF-FHYIIKHZSA-N 2 0 304.394 0.491 20 30 DCEDRP C#CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001264580027 949004588 /nfs/dbraw/zinc/00/45/88/949004588.db2.gz IWAWDUAYAGDUDR-CYBMUJFWSA-N 2 0 317.393 0.006 20 30 DCEDRP C#CCNC(=O)[C@H](C)[N@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001265104487 949300729 /nfs/dbraw/zinc/30/07/29/949300729.db2.gz UOSNDIYLABHOOZ-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001489160892 949568949 /nfs/dbraw/zinc/56/89/49/949568949.db2.gz PICBRRYIBAWPKG-DLBZAZTESA-N 2 0 321.465 0.778 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001265594663 949806177 /nfs/dbraw/zinc/80/61/77/949806177.db2.gz HMWUUMMOUHIKNY-IAGOWNOFSA-N 2 0 321.465 0.806 20 30 DCEDRP CC#CC[N@@H+]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001330241130 950221372 /nfs/dbraw/zinc/22/13/72/950221372.db2.gz GAVKOPKYYGTIPK-INIZCTEOSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001330360030 950309578 /nfs/dbraw/zinc/30/95/78/950309578.db2.gz MPULRLQTZUMTNW-VQHPVUNQSA-N 2 0 319.449 0.272 20 30 DCEDRP CC#CC[N@H+](C)CCOCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001331174186 950988372 /nfs/dbraw/zinc/98/83/72/950988372.db2.gz RPCYNIKKODRYPH-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001332523154 951679960 /nfs/dbraw/zinc/67/99/60/951679960.db2.gz SWVCJRJGBDGKDK-CQSZACIVSA-N 2 0 323.462 0.856 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001332604728 951719687 /nfs/dbraw/zinc/71/96/87/951719687.db2.gz BXCWWNPXQINIGI-JKSUJKDBSA-N 2 0 309.454 0.539 20 30 DCEDRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC#CCOC)[NH+](C)C ZINC001275009248 951926409 /nfs/dbraw/zinc/92/64/09/951926409.db2.gz DYILOMIGQOJYSX-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH2+]CCC(=O)NC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001333166662 951941992 /nfs/dbraw/zinc/94/19/92/951941992.db2.gz SYYCIMXQMJYOOO-HNNXBMFYSA-N 2 0 322.453 0.048 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC001275460076 952163540 /nfs/dbraw/zinc/16/35/40/952163540.db2.gz ZBTBAPGCHGDIIJ-RDJZCZTQSA-N 2 0 321.465 0.995 20 30 DCEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC001335382715 952528996 /nfs/dbraw/zinc/52/89/96/952528996.db2.gz QOPYGBUJCSZBKQ-INIZCTEOSA-N 2 0 301.390 0.647 20 30 DCEDRP CC(=O)c1ccc(OC[C@@H](O)C[NH2+]CC#CC[NH+](C)C)cc1 ZINC001336769939 952762653 /nfs/dbraw/zinc/76/26/53/952762653.db2.gz FJPZRDGHGILHRY-INIZCTEOSA-N 2 0 304.390 0.784 20 30 DCEDRP C#CCN1CCN(c2nnc([C@@H]3CCC[N@H+](C)C3)n2CC)CC1 ZINC001341147176 953212882 /nfs/dbraw/zinc/21/28/82/953212882.db2.gz QRTUQKWUUVUSLB-OAHLLOKOSA-N 2 0 316.453 0.862 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001342694075 953302515 /nfs/dbraw/zinc/30/25/15/953302515.db2.gz ZXOUCISLTAIXHP-QWHCGFSZSA-N 2 0 309.410 0.472 20 30 DCEDRP C#CC[NH2+]CC(=O)NC[C@@H]1CN(Cc2ccccc2C)CCO1 ZINC001344435346 953481131 /nfs/dbraw/zinc/48/11/31/953481131.db2.gz GYHOUCVPDCULAD-QGZVFWFLSA-N 2 0 315.417 0.535 20 30 DCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001345754162 953714325 /nfs/dbraw/zinc/71/43/25/953714325.db2.gz XRNOUSHXUFFMDE-KKUMJFAQSA-N 2 0 308.426 0.752 20 30 DCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC001345754163 953714454 /nfs/dbraw/zinc/71/44/54/953714454.db2.gz XRNOUSHXUFFMDE-QLFBSQMISA-N 2 0 308.426 0.752 20 30 DCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001347156684 954033382 /nfs/dbraw/zinc/03/33/82/954033382.db2.gz AURUOXHBECVBGT-GJZGRUSLSA-N 2 0 308.426 0.721 20 30 DCEDRP C=CCNC(=O)C[NH+](C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001283343105 954271446 /nfs/dbraw/zinc/27/14/46/954271446.db2.gz BZNBDNFHOANZRO-UHFFFAOYSA-N 2 0 324.469 0.552 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001283621489 954489504 /nfs/dbraw/zinc/48/95/04/954489504.db2.gz MDMQTUPJQWELMZ-ZIAGYGMSSA-N 2 0 322.453 0.045 20 30 DCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001283868595 954680237 /nfs/dbraw/zinc/68/02/37/954680237.db2.gz MJNCDBLZIAKMTB-LSDHHAIUSA-N 2 0 317.437 0.661 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001284178864 954905464 /nfs/dbraw/zinc/90/54/64/954905464.db2.gz JJHDRQKWFYNFHL-JKSUJKDBSA-N 2 0 321.465 0.995 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]CC#CCOC)C1 ZINC001333141405 956310785 /nfs/dbraw/zinc/31/07/85/956310785.db2.gz OAFVFBYRJBFLMO-UHFFFAOYSA-N 2 0 309.454 0.947 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001316658498 957692308 /nfs/dbraw/zinc/69/23/08/957692308.db2.gz XQISWSNLQFHSIP-JKSUJKDBSA-N 2 0 309.454 0.853 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001491830889 959278738 /nfs/dbraw/zinc/27/87/38/959278738.db2.gz AYJZWTYZPFBHPG-KGLIPLIRSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001316750219 960365441 /nfs/dbraw/zinc/36/54/41/960365441.db2.gz ZYDLJCZOEGMXEO-IAGOWNOFSA-N 2 0 323.481 0.881 20 30 DCEDRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cccc(C#N)c2)C1 ZINC001369381519 964860969 /nfs/dbraw/zinc/86/09/69/964860969.db2.gz KQQDBMRBMLJRMR-CVEARBPZSA-N 2 0 316.405 0.077 20 30 DCEDRP CN(C[C@@H](O)C[NH2+]Cc1ccccc1C#N)C(=O)CC[NH+](C)C ZINC001369483571 965053905 /nfs/dbraw/zinc/05/39/05/965053905.db2.gz KLWZSUCQQGWOMJ-INIZCTEOSA-N 2 0 318.421 0.419 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001527667808 1015521077 /nfs/dbraw/zinc/52/10/77/1015521077.db2.gz QMCQMWSOXUXLAV-ZBFHGGJFSA-N 2 0 306.454 0.531 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001502877319 1016114824 /nfs/dbraw/zinc/11/48/24/1016114824.db2.gz JISJCTBLUQZHLI-UHFFFAOYSA-N 2 0 305.422 0.191 20 30 DCEDRP C=C(C)C[NH2+]CC1(O)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001502883688 1016115920 /nfs/dbraw/zinc/11/59/20/1016115920.db2.gz UDORNIJQABUSSK-UHFFFAOYSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC#CC)[C@@H]2C)CC1 ZINC001507300301 1016230805 /nfs/dbraw/zinc/23/08/05/1016230805.db2.gz ZMSOEDPBGWUZEJ-DOTOQJQBSA-N 2 0 301.434 0.934 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001401681304 1000620484 /nfs/dbraw/zinc/62/04/84/1000620484.db2.gz QGHOTJPYMIRDLJ-LBPRGKRZSA-N 2 0 313.833 0.905 20 30 DCEDRP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001421326134 1003545810 /nfs/dbraw/zinc/54/58/10/1003545810.db2.gz GFPNLRLRFCWOSZ-CYBMUJFWSA-N 2 0 315.845 0.946 20 30 DCEDRP CN(C[C@H](O)C[NH2+]Cc1ccc(C#N)s1)C(=O)CC[NH+](C)C ZINC001423477859 1011175863 /nfs/dbraw/zinc/17/58/63/1011175863.db2.gz VTNIOFFVERZYBZ-GFCCVEGCSA-N 2 0 324.450 0.480 20 30 DCEDRP C=CCOCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001479287306 1017477365 /nfs/dbraw/zinc/47/73/65/1017477365.db2.gz XBXQJMOJKBQQTH-QLFBSQMISA-N 2 0 311.426 0.004 20 30 DCEDRP C#CCC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001479660588 1017637722 /nfs/dbraw/zinc/63/77/22/1017637722.db2.gz CFWPHDBREXYXBP-HOTGVXAUSA-N 2 0 307.438 0.247 20 30 DCEDRP COCC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001480020466 1018133301 /nfs/dbraw/zinc/13/33/01/1018133301.db2.gz SKSSKJACOFIMRZ-IRXDYDNUSA-N 2 0 321.465 0.993 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]C[C@@H](C)OC)C2CC2)CC1 ZINC001480067226 1018177708 /nfs/dbraw/zinc/17/77/08/1018177708.db2.gz YHNINIIHATWYSX-PBHICJAKSA-N 2 0 321.465 0.851 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001480173793 1018282391 /nfs/dbraw/zinc/28/23/91/1018282391.db2.gz NDQMKKYTPJQMJM-RBSFLKMASA-N 2 0 322.453 0.400 20 30 DCEDRP C#CC[N@H+]1CC[C@](O)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001500750986 1018630688 /nfs/dbraw/zinc/63/06/88/1018630688.db2.gz ODRHTSQTXFPUII-SFHVURJKSA-N 2 0 319.449 0.295 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001480619248 1018714400 /nfs/dbraw/zinc/71/44/00/1018714400.db2.gz ICNAGZKNMPWYNL-JYJNAYRXSA-N 2 0 307.438 0.557 20 30 DCEDRP C=C(C)CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001501365206 1019100823 /nfs/dbraw/zinc/10/08/23/1019100823.db2.gz XIZOIGWCNGWXTH-DOTOQJQBSA-N 2 0 309.454 0.847 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001496365033 1019268172 /nfs/dbraw/zinc/26/81/72/1019268172.db2.gz WKEFZMMDSHFSQL-HOTGVXAUSA-N 2 0 321.465 0.805 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001501711100 1019406878 /nfs/dbraw/zinc/40/68/78/1019406878.db2.gz XGQYMOZSSXVYSG-WKILWMFISA-N 2 0 309.454 0.853 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001501894842 1019543479 /nfs/dbraw/zinc/54/34/79/1019543479.db2.gz LHCIWOHKSDEWMA-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001493726193 1019663462 /nfs/dbraw/zinc/66/34/62/1019663462.db2.gz QZHPPXRREVOAEZ-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CCO1 ZINC001502072981 1019685953 /nfs/dbraw/zinc/68/59/53/1019685953.db2.gz XSTMHILHHVQFBP-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP C[NH+](C)CCN1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329476550 282098346 /nfs/dbraw/zinc/09/83/46/282098346.db2.gz UDVUHTFETACHJQ-HNNXBMFYSA-N 2 0 323.485 0.753 20 30 DCEDRP C#CCN1CCN(C(=O)C[NH2+][C@H](CC)C2CCOCC2)CC1 ZINC000490914244 397499131 /nfs/dbraw/zinc/49/91/31/397499131.db2.gz GUYJVSKJEQMOLS-MRXNPFEDSA-N 2 0 307.438 0.559 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)[C@@H](C)C#N ZINC000352412730 415164128 /nfs/dbraw/zinc/16/41/28/415164128.db2.gz IHRFMFMKOKEWDS-UONOGXRCSA-N 2 0 316.471 0.576 20 30 DCEDRP C[N@H+](CCCO)C1CCN(C(=O)NC[C@@H]2CCC[NH+]2C)CC1 ZINC000330870555 416245171 /nfs/dbraw/zinc/24/51/71/416245171.db2.gz QQCWFISPWGXWMU-HNNXBMFYSA-N 2 0 312.458 0.773 20 30 DCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)C(C)C ZINC000417062937 416381587 /nfs/dbraw/zinc/38/15/87/416381587.db2.gz MYJWUBRLUXXDMY-HZPDHXFCSA-N 2 0 324.469 0.973 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330514 416418700 /nfs/dbraw/zinc/41/87/00/416418700.db2.gz PZMCXCFMZJOWDF-MELADBBJSA-N 2 0 308.426 0.708 20 30 DCEDRP C[C@@H]1C[C@H](CO)C[NH+](CC#CC[N@H+]2C[C@H](CO)C[C@H](C)C2)C1 ZINC000420953874 416419749 /nfs/dbraw/zinc/41/97/49/416419749.db2.gz YYCXJPSAWJJUEV-FZDBZEDMSA-N 2 0 308.466 0.890 20 30 DCEDRP C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)CC1 ZINC000490839341 416577981 /nfs/dbraw/zinc/57/79/81/416577981.db2.gz IDXKGXKXYXKTDF-OAHLLOKOSA-N 2 0 315.421 0.367 20 30 DCEDRP C(#CC[N@@H+]1CC[C@@H]2COC[C@@H]2C1)C[NH+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662037505 418376909 /nfs/dbraw/zinc/37/69/09/418376909.db2.gz UGKWLIMLUIPMJO-BDXSIMOUSA-N 2 0 304.434 0.926 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000491473823 333103805 /nfs/dbraw/zinc/10/38/05/333103805.db2.gz HUYIUMZHWNXLFG-UHFFFAOYSA-N 2 0 322.453 0.448 20 30 DCEDRP C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000154344730 526382929 /nfs/dbraw/zinc/38/29/29/526382929.db2.gz RXYARGIWTJEHSD-WDEREUQCSA-N 2 0 319.409 0.669 20 30 DCEDRP C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000154344384 526383009 /nfs/dbraw/zinc/38/30/09/526383009.db2.gz RXYARGIWTJEHSD-MNOVXSKESA-N 2 0 319.409 0.669 20 30 DCEDRP C[NH+]=C(NCc1nc(C)c(C)s1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000261985902 526415509 /nfs/dbraw/zinc/41/55/09/526415509.db2.gz OMNNWJOQAPPUAD-ZDUSSCGKSA-N 2 0 322.482 0.425 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000171738732 526437172 /nfs/dbraw/zinc/43/71/72/526437172.db2.gz WKVPSXGBCBUJNN-HNNXBMFYSA-N 2 0 323.485 0.572 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000364097040 526921014 /nfs/dbraw/zinc/92/10/14/526921014.db2.gz RFEDQEMGNSDANZ-DLBZAZTESA-N 2 0 319.449 0.389 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363634026 527015672 /nfs/dbraw/zinc/01/56/72/527015672.db2.gz JVGOSPFGGXRIHC-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000329433956 546048399 /nfs/dbraw/zinc/04/83/99/546048399.db2.gz JCDMHQOQLCTVGV-UKRRQHHQSA-N 2 0 309.458 0.220 20 30 DCEDRP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC000978643926 660579504 /nfs/dbraw/zinc/57/95/04/660579504.db2.gz YTTSJHJKJFHMIN-NXOAAHMSSA-N 2 0 321.465 0.966 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)CC1 ZINC000979085926 660658957 /nfs/dbraw/zinc/65/89/57/660658957.db2.gz GRKUOVKVTQZCRT-OSYLJGHBSA-N 2 0 319.449 0.008 20 30 DCEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028036762 661092128 /nfs/dbraw/zinc/09/21/28/661092128.db2.gz GNCIOVAIUCRSSM-GWUWNPHMSA-N 2 0 305.422 0.616 20 30 DCEDRP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000981381886 661141387 /nfs/dbraw/zinc/14/13/87/661141387.db2.gz JSKAVBOSBWIJTM-HOTGVXAUSA-N 2 0 317.437 0.709 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2cc(CN3CCCC3)on2)C[C@@H]1C ZINC000939147986 665502699 /nfs/dbraw/zinc/50/26/99/665502699.db2.gz QKLHNTTWTMLLRQ-XJKSGUPXSA-N 2 0 316.405 0.954 20 30 DCEDRP CC#CCN1CCO[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC000972553042 657764295 /nfs/dbraw/zinc/76/42/95/657764295.db2.gz XVCYOAZPPISLDA-FUHWJXTLSA-N 2 0 319.449 0.797 20 30 DCEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971968805 658104014 /nfs/dbraw/zinc/10/40/14/658104014.db2.gz HUVOYGXPKUBHHH-DGNOSDGRSA-N 2 0 305.422 0.568 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](C[C@@H](C)O)C2)CC1 ZINC001023762125 658218497 /nfs/dbraw/zinc/21/84/97/658218497.db2.gz ROLVVMWGXJWVRY-HZPDHXFCSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000999145698 665585336 /nfs/dbraw/zinc/58/53/36/665585336.db2.gz PJYTWJDBFYWJGJ-UZZMVUAXSA-N 2 0 303.406 0.062 20 30 DCEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028699516 661766566 /nfs/dbraw/zinc/76/65/66/661766566.db2.gz ZLQJGGQKJTXYOG-CTMQZQKCSA-N 2 0 317.433 0.311 20 30 DCEDRP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028699392 661766853 /nfs/dbraw/zinc/76/68/53/661766853.db2.gz XTHJCCFCBMQZGP-UJEKJILKSA-N 2 0 305.422 0.474 20 30 DCEDRP CC[C@@H]1CN(C(NC[C@@H]2C[N@H+](C)CCN2C)=[NH+]C)CCS1 ZINC000261937930 661876131 /nfs/dbraw/zinc/87/61/31/661876131.db2.gz MHEYBEFBCAKXJI-ZIAGYGMSSA-N 2 0 313.515 0.635 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C(C)(C)C1 ZINC000940648017 665822369 /nfs/dbraw/zinc/82/23/69/665822369.db2.gz VMBBOIMNOXSHSO-LSDHHAIUSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC000947319504 662509221 /nfs/dbraw/zinc/50/92/21/662509221.db2.gz SGMISPZHRONAIM-CABCVRRESA-N 2 0 317.437 0.661 20 30 DCEDRP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000988855218 662868120 /nfs/dbraw/zinc/86/81/20/662868120.db2.gz NCAJCMQDWYTLOR-ZIAGYGMSSA-N 2 0 305.426 0.823 20 30 DCEDRP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000988853900 662868163 /nfs/dbraw/zinc/86/81/63/662868163.db2.gz HTILOIHPJLBBOZ-UONOGXRCSA-N 2 0 303.410 0.271 20 30 DCEDRP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000990572179 663067668 /nfs/dbraw/zinc/06/76/68/663067668.db2.gz ZGBJEBDRWRXXOI-CYBMUJFWSA-N 2 0 301.818 0.650 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000911704522 664103920 /nfs/dbraw/zinc/10/39/20/664103920.db2.gz FLHFRJCWLOFTKV-LSDHHAIUSA-N 2 0 322.453 0.340 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000913520359 664338238 /nfs/dbraw/zinc/33/82/38/664338238.db2.gz NUAHAJAAYLDUGS-UHFFFAOYSA-N 2 0 315.421 0.128 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000913522341 664338243 /nfs/dbraw/zinc/33/82/43/664338243.db2.gz FMJITAJAMSGLNC-OAHLLOKOSA-N 2 0 309.479 0.885 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCO)[C@H]2C)CC1 ZINC000994498676 665116849 /nfs/dbraw/zinc/11/68/49/665116849.db2.gz NTMVIQAFAYWBFG-GOEBONIOSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000921311371 665294545 /nfs/dbraw/zinc/29/45/45/665294545.db2.gz QTMYIVQLEIDWDQ-MRXNPFEDSA-N 2 0 324.494 0.821 20 30 DCEDRP C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941665480 666040869 /nfs/dbraw/zinc/04/08/69/666040869.db2.gz FVPBORCSIBYHFZ-MRXNPFEDSA-N 2 0 320.481 0.733 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC001032837210 666289256 /nfs/dbraw/zinc/28/92/56/666289256.db2.gz KDOQPRQQWLFMPK-ZACQAIPSSA-N 2 0 319.449 0.844 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+]([C@H](C)COC)C2)CC1 ZINC001032205569 666437938 /nfs/dbraw/zinc/43/79/38/666437938.db2.gz AVJJQNTUYYBGFC-CQSZACIVSA-N 2 0 307.438 0.415 20 30 DCEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033279971 666659624 /nfs/dbraw/zinc/65/96/24/666659624.db2.gz YPEJIYXDVWMQPQ-NDUQDZPOSA-N 2 0 319.449 0.958 20 30 DCEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033279966 666659909 /nfs/dbraw/zinc/65/99/09/666659909.db2.gz YPEJIYXDVWMQPQ-BNQMIIOLSA-N 2 0 319.449 0.958 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001033686624 666795521 /nfs/dbraw/zinc/79/55/21/666795521.db2.gz REERVAIRZBCHKS-KRWDZBQOSA-N 2 0 301.434 0.888 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CC#C)C2)CC1 ZINC001034538310 667065027 /nfs/dbraw/zinc/06/50/27/667065027.db2.gz LNNIYTNCNUUXKK-QGZVFWFLSA-N 2 0 301.434 0.936 20 30 DCEDRP C=CC[NH2+]C1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000997084866 667118831 /nfs/dbraw/zinc/11/88/31/667118831.db2.gz PMZRJJRZRAEMCI-UHFFFAOYSA-N 2 0 305.426 0.825 20 30 DCEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+]3CCC[C@@H]3CO1)CC2 ZINC001035713224 667403322 /nfs/dbraw/zinc/40/33/22/667403322.db2.gz OYUADGOAHHMBJN-HZPDHXFCSA-N 2 0 317.433 0.407 20 30 DCEDRP CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000884213129 667500569 /nfs/dbraw/zinc/50/05/69/667500569.db2.gz UNRLMODPJKNJPC-PTSUJKEJSA-N 2 0 302.422 0.821 20 30 DCEDRP N#Cc1ccc(N2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)cn1 ZINC000923423151 667530632 /nfs/dbraw/zinc/53/06/32/667530632.db2.gz ZMRZDKIHBKGDDK-INIZCTEOSA-N 2 0 313.405 0.454 20 30 DCEDRP C#CCNC(=S)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000758216977 668160620 /nfs/dbraw/zinc/16/06/20/668160620.db2.gz QLEILSCMSBZTIX-UHFFFAOYSA-N 2 0 317.462 0.691 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000876764907 668505525 /nfs/dbraw/zinc/50/55/25/668505525.db2.gz PEAIPHCZCYRZPO-JSGCOSHPSA-N 2 0 314.861 0.741 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CCO1 ZINC001755017699 1157907923 /nfs/dbraw/zinc/90/79/23/1157907923.db2.gz NTZIEKYLNILGDF-HOTGVXAUSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC000949225999 670291009 /nfs/dbraw/zinc/29/10/09/670291009.db2.gz BRCUPZRGHPXOEL-INIZCTEOSA-N 2 0 319.449 0.655 20 30 DCEDRP C[NH+]=C(NCCS(C)(=O)=O)NC1CC[NH+](C(C)C)CC1 ZINC000114090387 670803708 /nfs/dbraw/zinc/80/37/08/670803708.db2.gz JGCMCBWGSWKELA-UHFFFAOYSA-N 2 0 304.460 0.069 20 30 DCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)C(C)C ZINC000852859218 671177158 /nfs/dbraw/zinc/17/71/58/671177158.db2.gz PJTAGUIMFRQRET-UKRRQHHQSA-N 2 0 308.426 0.905 20 30 DCEDRP CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[N@@H+](C)CCC)CCO1 ZINC001755458407 1158143914 /nfs/dbraw/zinc/14/39/14/1158143914.db2.gz DJAZBZSVXKRJPG-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP CC[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)[NH+]1CCCC1 ZINC000303881103 685208001 /nfs/dbraw/zinc/20/80/01/685208001.db2.gz HKFXZYLAAGWIFB-HNNXBMFYSA-N 2 0 311.474 0.487 20 30 DCEDRP NC(=O)C1CC[NH+](CCCCNC(=[NH2+])NCC2CCC2)CC1 ZINC000303901193 685208652 /nfs/dbraw/zinc/20/86/52/685208652.db2.gz SNTMZIVXPPXSNQ-UHFFFAOYSA-N 2 0 309.458 0.668 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC000958222675 687454414 /nfs/dbraw/zinc/45/44/14/687454414.db2.gz FWJSUQUHWBXWIY-GDBMZVCRSA-N 2 0 312.373 0.380 20 30 DCEDRP C=CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000958580320 687767714 /nfs/dbraw/zinc/76/77/14/687767714.db2.gz FJTCNNZYMBDZMA-IRXDYDNUSA-N 2 0 321.465 0.703 20 30 DCEDRP C=CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000958717409 687871920 /nfs/dbraw/zinc/87/19/20/687871920.db2.gz QIGQRDFATPXUDS-SJORKVTESA-N 2 0 317.433 0.957 20 30 DCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC000960992104 688497754 /nfs/dbraw/zinc/49/77/54/688497754.db2.gz GTUPNKQADKRAMX-QLPKVWCKSA-N 2 0 321.384 0.951 20 30 DCEDRP C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001017747463 692974163 /nfs/dbraw/zinc/97/41/63/692974163.db2.gz DSNLXDHIGCXLMJ-OWQJAQGESA-N 2 0 315.417 0.158 20 30 DCEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001019169741 693376783 /nfs/dbraw/zinc/37/67/83/693376783.db2.gz HVBHDJMEGLDLJL-KRIMKBQASA-N 2 0 305.422 0.616 20 30 DCEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020179178 693724670 /nfs/dbraw/zinc/72/46/70/693724670.db2.gz RAIVTHTYOWBEEX-XUXIUFHCSA-N 2 0 313.829 0.839 20 30 DCEDRP C=CC[N@H+]1CCC2(CN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001073087117 694703771 /nfs/dbraw/zinc/70/37/71/694703771.db2.gz IXBRTFIYWSQVGA-UHFFFAOYSA-N 2 0 307.438 0.818 20 30 DCEDRP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001073610835 694751644 /nfs/dbraw/zinc/75/16/44/694751644.db2.gz FTKOOTMLXPFCJC-OWCLPIDISA-N 2 0 307.438 0.557 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001073677641 694765956 /nfs/dbraw/zinc/76/59/56/694765956.db2.gz NCOUQFIKGWSQBQ-INIZCTEOSA-N 2 0 319.449 0.845 20 30 DCEDRP CC#CC[N@H+](C)CCOCCNC(=O)CC1CC[NH+](C)CC1 ZINC001571344857 1162712157 /nfs/dbraw/zinc/71/21/57/1162712157.db2.gz SBRCTZZALYVWRE-UHFFFAOYSA-N 2 0 309.454 0.806 20 30 DCEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001571586294 1162830121 /nfs/dbraw/zinc/83/01/21/1162830121.db2.gz LWJKTPMWAAFRNQ-INIZCTEOSA-N 2 0 309.454 0.683 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001691146434 1157595569 /nfs/dbraw/zinc/59/55/69/1157595569.db2.gz ULMKQVNLGAJBKK-HOTGVXAUSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001755014873 1157906983 /nfs/dbraw/zinc/90/69/83/1157906983.db2.gz UJWXQEAVWPNENZ-OAHLLOKOSA-N 2 0 307.438 0.865 20 30 DCEDRP COCC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001755458232 1158143948 /nfs/dbraw/zinc/14/39/48/1158143948.db2.gz AMAQHRQVYZWNGQ-MRXNPFEDSA-N 2 0 319.449 0.512 20 30 DCEDRP CC#CC[NH2+][C@@H](C)CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001676441107 1175446691 /nfs/dbraw/zinc/44/66/91/1175446691.db2.gz UKFRMANLRSKNMO-AWEZNQCLSA-N 2 0 305.426 0.518 20 30 DCEDRP COCC#CC[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001567611506 1159859433 /nfs/dbraw/zinc/85/94/33/1159859433.db2.gz JRCFOWSWWCVWME-INIZCTEOSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001565866283 1159916061 /nfs/dbraw/zinc/91/60/61/1159916061.db2.gz DTUZBLSBUDJPGS-SHTZXODSSA-N 2 0 307.438 0.605 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001566724383 1160137939 /nfs/dbraw/zinc/13/79/39/1160137939.db2.gz HQLVFRBVSWCMCE-GDBMZVCRSA-N 2 0 307.438 0.462 20 30 DCEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001567215197 1160275587 /nfs/dbraw/zinc/27/55/87/1160275587.db2.gz PVBGWYWREKWPBX-AWEZNQCLSA-N 2 0 305.426 0.566 20 30 DCEDRP C#CCC[N@@H+](CCNC(=O)C(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC001567445313 1160368658 /nfs/dbraw/zinc/36/86/58/1160368658.db2.gz XEHQIUPSQVZSPG-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCOCC[NH+]1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001567829913 1160493425 /nfs/dbraw/zinc/49/34/25/1160493425.db2.gz INJDUTOAVYUKES-INIZCTEOSA-N 2 0 307.438 0.579 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001569235682 1160989071 /nfs/dbraw/zinc/98/90/71/1160989071.db2.gz CCOYVORIJKXTND-AWEZNQCLSA-N 2 0 324.469 0.457 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC#CCOC)C[C@@H]1C ZINC001569526750 1161087749 /nfs/dbraw/zinc/08/77/49/1161087749.db2.gz LVBWGWRNCXVBMO-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001570295490 1161551964 /nfs/dbraw/zinc/55/19/64/1161551964.db2.gz IQIWBQZNTFGKLD-FUHWJXTLSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC001574674429 1163740119 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0.093 20 30 DCEDRP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]CC#CCOC ZINC001665892859 1174572598 /nfs/dbraw/zinc/57/25/98/1174572598.db2.gz IHJPEJMXRBBADN-JKSUJKDBSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001667759315 1174708518 /nfs/dbraw/zinc/70/85/18/1174708518.db2.gz WZDIFZKSRPEDSN-GOEBONIOSA-N 2 0 317.437 0.566 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCOC)CC1 ZINC001667769734 1174709823 /nfs/dbraw/zinc/70/98/23/1174709823.db2.gz IJRKLQZFQBNEKB-IRXDYDNUSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH2+]C1CCN(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001672467712 1175110000 /nfs/dbraw/zinc/11/00/00/1175110000.db2.gz CTITZBXCQDXZED-UHFFFAOYSA-N 2 0 320.481 0.666 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001673397241 1175200494 /nfs/dbraw/zinc/20/04/94/1175200494.db2.gz PRVCRVHCOKSTKD-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001676360753 1175439740 /nfs/dbraw/zinc/43/97/40/1175439740.db2.gz XKUSESDGXNCYDP-KGLIPLIRSA-N 2 0 324.469 0.598 20 30 DCEDRP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001689203805 1176739981 /nfs/dbraw/zinc/73/99/81/1176739981.db2.gz BRECOZDIVPNGGU-SJORKVTESA-N 2 0 321.465 0.779 20 30 DCEDRP COCC#CC[N@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001689890957 1177106373 /nfs/dbraw/zinc/10/63/73/1177106373.db2.gz KYAYNPNBWRWLOJ-IYBDPMFKSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001692046048 1177409072 /nfs/dbraw/zinc/40/90/72/1177409072.db2.gz IDMDEGUIONEKRJ-INIZCTEOSA-N 2 0 307.438 0.391 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001698829227 1177685251 /nfs/dbraw/zinc/68/52/51/1177685251.db2.gz OWCMUGJVBYZUFG-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001699419377 1178129386 /nfs/dbraw/zinc/12/93/86/1178129386.db2.gz YGCRTBDUUWVHOC-STQMWFEESA-N 2 0 310.442 0.113 20 30 DCEDRP C=CCOCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001699987859 1178407250 /nfs/dbraw/zinc/40/72/50/1178407250.db2.gz RGCVOAWNOQKAFJ-OWCLPIDISA-N 2 0 307.438 0.673 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001700027966 1178444273 /nfs/dbraw/zinc/44/42/73/1178444273.db2.gz RPPWJDIVXIQCIO-KRWDZBQOSA-N 2 0 321.465 0.827 20 30 DCEDRP C=CC[NH2+]CCN(CCO)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001700033126 1178448718 /nfs/dbraw/zinc/44/87/18/1178448718.db2.gz CTRNOBNENBQICP-UHFFFAOYSA-N 2 0 315.377 0.477 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+]CCO)C2)CC1 ZINC001700094495 1178475778 /nfs/dbraw/zinc/47/57/78/1178475778.db2.gz UOFDZRJOTJRCKI-OAHLLOKOSA-N 2 0 307.438 0.152 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001700306266 1178574143 /nfs/dbraw/zinc/57/41/43/1178574143.db2.gz UHVZWMWNTYCHFZ-UHFFFAOYSA-N 2 0 307.438 0.295 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001700914067 1178801371 /nfs/dbraw/zinc/80/13/71/1178801371.db2.gz VITPCZDZQDGRKB-LSDHHAIUSA-N 2 0 322.453 0.259 20 30 DCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC1(C)C ZINC001700924265 1178805760 /nfs/dbraw/zinc/80/57/60/1178805760.db2.gz CJGHLAZRHJQMLY-MRXNPFEDSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCNC(=O)C[NH+](C)CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001712991505 1180615291 /nfs/dbraw/zinc/61/52/91/1180615291.db2.gz SPDPSJNKDYYWHH-GASCZTMLSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001713206168 1180719105 /nfs/dbraw/zinc/71/91/05/1180719105.db2.gz HOGNXAOQBYPQCF-VBQJREDUSA-N 2 0 320.437 0.011 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001713239431 1180732878 /nfs/dbraw/zinc/73/28/78/1180732878.db2.gz VYOIENDFVBZKOY-INIZCTEOSA-N 2 0 309.454 0.806 20 30 DCEDRP COCC#CC[NH2+]C1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001713290388 1180752646 /nfs/dbraw/zinc/75/26/46/1180752646.db2.gz HBCWTCFKCYOLGC-KLAILNCOSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001713654545 1180998708 /nfs/dbraw/zinc/99/87/08/1180998708.db2.gz FGFIIGVHSZJDEF-CVEARBPZSA-N 2 0 309.454 0.805 20 30 DCEDRP CC#CCN1CC[NH+](CCCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001713801547 1181077563 /nfs/dbraw/zinc/07/75/63/1181077563.db2.gz PCJOOKKHNWXXBV-KRWDZBQOSA-N 2 0 320.481 0.475 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CC#CCOC)CC1 ZINC001715909726 1182094700 /nfs/dbraw/zinc/09/47/00/1182094700.db2.gz BPZDJQLBQNNOTJ-PLNGDYQASA-N 2 0 317.433 0.243 20 30 DCEDRP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001716881053 1182556642 /nfs/dbraw/zinc/55/66/42/1182556642.db2.gz ZWOLRNRFZZPXLN-KRWDZBQOSA-N 2 0 319.449 0.560 20 30 DCEDRP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001716920100 1182575048 /nfs/dbraw/zinc/57/50/48/1182575048.db2.gz NYCUSIUNIHILHY-ZBFHGGJFSA-N 2 0 313.417 0.243 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001716994296 1182615086 /nfs/dbraw/zinc/61/50/86/1182615086.db2.gz XRTRBYGINYIQHA-HOTGVXAUSA-N 2 0 319.449 0.416 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001717157587 1182699664 /nfs/dbraw/zinc/69/96/64/1182699664.db2.gz QPMSFUJONGVVCT-HNNXBMFYSA-N 2 0 307.438 0.607 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CCO1 ZINC001717172530 1182708641 /nfs/dbraw/zinc/70/86/41/1182708641.db2.gz JBXORHBSNSFUJO-CQSZACIVSA-N 2 0 321.446 0.874 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001717202003 1182730262 /nfs/dbraw/zinc/73/02/62/1182730262.db2.gz MMGCJRHCGZDFSF-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001717257191 1182752909 /nfs/dbraw/zinc/75/29/09/1182752909.db2.gz AOAYSUKVHGXIBE-QGZVFWFLSA-N 2 0 309.454 0.847 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CC1CC(NC(=O)Cn2ccnc2)C1 ZINC001717394659 1182818973 /nfs/dbraw/zinc/81/89/73/1182818973.db2.gz AAOZFHQAEAMVSB-IYXRBSQSSA-N 2 0 319.409 0.058 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001717446719 1182836437 /nfs/dbraw/zinc/83/64/37/1182836437.db2.gz JROZWAZPALEEQA-UHFFFAOYSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001717552115 1182896174 /nfs/dbraw/zinc/89/61/74/1182896174.db2.gz DTKQCDHGHNPVSV-HNNXBMFYSA-N 2 0 321.465 0.805 20 30 DCEDRP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001717939331 1183078206 /nfs/dbraw/zinc/07/82/06/1183078206.db2.gz FDMXJLSLJKEBNE-HOTGVXAUSA-N 2 0 309.454 0.635 20 30 DCEDRP C=C(C)CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001717942762 1183081593 /nfs/dbraw/zinc/08/15/93/1183081593.db2.gz CCHWSYARLVMWKM-HNNXBMFYSA-N 2 0 309.454 0.800 20 30 DCEDRP C=CCCC[N@H+]1CC[C@](O)(CNC(=O)Cn2ccnc2C)C1 ZINC001724426199 1184439200 /nfs/dbraw/zinc/43/92/00/1184439200.db2.gz FHSWNSWIGBDJKS-INIZCTEOSA-N 2 0 306.410 0.711 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001724534901 1184460584 /nfs/dbraw/zinc/46/05/84/1184460584.db2.gz VRNFGAIWLOGOOZ-JKSUJKDBSA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001724690753 1184524726 /nfs/dbraw/zinc/52/47/26/1184524726.db2.gz YRGQNFGJDCZMNE-HZPDHXFCSA-N 2 0 309.454 0.541 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001724983639 1184645129 /nfs/dbraw/zinc/64/51/29/1184645129.db2.gz STBHCEILEKVASC-UHFFFAOYSA-N 2 0 321.465 0.827 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001725004910 1184653860 /nfs/dbraw/zinc/65/38/60/1184653860.db2.gz ZTNBBFCVFXCSKJ-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CC[NH+]1CCC(CO)(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001725021824 1184660746 /nfs/dbraw/zinc/66/07/46/1184660746.db2.gz NJLLNCKZLABLKC-GASCZTMLSA-N 2 0 309.454 0.988 20 30 DCEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001725255657 1184739600 /nfs/dbraw/zinc/73/96/00/1184739600.db2.gz ORCGOKFFLGTAQQ-CQSZACIVSA-N 2 0 309.454 0.967 20 30 DCEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001725266081 1184744615 /nfs/dbraw/zinc/74/46/15/1184744615.db2.gz GITIKZOXGYPJNK-AWEZNQCLSA-N 2 0 307.438 0.557 20 30 DCEDRP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)CC#CCOC)CC1 ZINC001725424427 1184816335 /nfs/dbraw/zinc/81/63/35/1184816335.db2.gz JCKXMZXZKODSIX-UHFFFAOYSA-N 2 0 309.454 0.901 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]C[C@H](C)OC)CC1 ZINC001725523077 1184856816 /nfs/dbraw/zinc/85/68/16/1184856816.db2.gz LIJJKSDWLOUEAU-GJZGRUSLSA-N 2 0 309.454 0.803 20 30 DCEDRP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC#Cc1ccccc1)[NH+](C)C ZINC001725543097 1184873924 /nfs/dbraw/zinc/87/39/24/1184873924.db2.gz PLCUQFWRKJFXAH-SJORKVTESA-N 2 0 317.433 0.445 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001725612318 1184910873 /nfs/dbraw/zinc/91/08/73/1184910873.db2.gz VHIZOAUNICTGNB-DOTOQJQBSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001725754752 1184983180 /nfs/dbraw/zinc/98/31/80/1184983180.db2.gz IEHVFIPVWCNITH-HUUCEWRRSA-N 2 0 309.454 0.708 20 30 DCEDRP C=CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001731366366 1185298842 /nfs/dbraw/zinc/29/88/42/1185298842.db2.gz ZGLKGPOIOSCSSR-INIZCTEOSA-N 2 0 308.470 0.781 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001731445479 1185336690 /nfs/dbraw/zinc/33/66/90/1185336690.db2.gz OAXJSTFACLNJAA-IHRRRGAJSA-N 2 0 322.453 0.398 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001731458060 1185342381 /nfs/dbraw/zinc/34/23/81/1185342381.db2.gz SKDNIHQULNNKDO-MGPQQGTHSA-N 2 0 304.394 0.475 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCCOCC)C2)CC1 ZINC001731460379 1185342717 /nfs/dbraw/zinc/34/27/17/1185342717.db2.gz BKEQDXQIKIDYLJ-QAQDUYKDSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCOCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001731528694 1185375368 /nfs/dbraw/zinc/37/53/68/1185375368.db2.gz GZFGIYKPCCJCTF-CVEARBPZSA-N 2 0 309.454 0.969 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001732463443 1185827029 /nfs/dbraw/zinc/82/70/29/1185827029.db2.gz MIVYSMYKCDHRSW-CVEARBPZSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC001732984172 1186092054 /nfs/dbraw/zinc/09/20/54/1186092054.db2.gz XWFZEDUMIDEHND-CVEARBPZSA-N 2 0 321.465 0.853 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001732999666 1186097622 /nfs/dbraw/zinc/09/76/22/1186097622.db2.gz WTNFFHYXLRKHAZ-DZGCQCFKSA-N 2 0 322.453 0.352 20 30 DCEDRP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](CC#CCOC)CC1 ZINC001733372125 1186243384 /nfs/dbraw/zinc/24/33/84/1186243384.db2.gz BBGMVERLEZAMPS-UHFFFAOYSA-N 2 0 319.449 0.514 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001733473052 1186282616 /nfs/dbraw/zinc/28/26/16/1186282616.db2.gz NCPJVJTXOXCYLI-HNNXBMFYSA-N 2 0 307.438 0.607 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](CC#C)CC2)CCO1 ZINC001733751933 1186431897 /nfs/dbraw/zinc/43/18/97/1186431897.db2.gz PHBGFRZFAQDOEC-KRWDZBQOSA-N 2 0 317.433 0.172 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001733983716 1186515123 /nfs/dbraw/zinc/51/51/23/1186515123.db2.gz KLWIZSJLYAVQEU-HUUCEWRRSA-N 2 0 307.438 0.747 20 30 DCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)[C@@H]1C ZINC001734411333 1186645723 /nfs/dbraw/zinc/64/57/23/1186645723.db2.gz YXFIZBHUMKOBMS-WBVHZDCISA-N 2 0 301.434 0.934 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001734536417 1186681876 /nfs/dbraw/zinc/68/18/76/1186681876.db2.gz IEINORDJXDHJLN-HZPDHXFCSA-N 2 0 309.454 0.539 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2)C1=O ZINC001752665611 1188431910 /nfs/dbraw/zinc/43/19/10/1188431910.db2.gz SSKOFGMPWNVABA-AJNGGQMLSA-N 2 0 322.453 0.350 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001752740773 1188435953 /nfs/dbraw/zinc/43/59/53/1188435953.db2.gz HUWOYUPCXSAXNY-IXDOHACOSA-N 2 0 321.465 0.993 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C[C@@H](C)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001753642572 1188628574 /nfs/dbraw/zinc/62/85/74/1188628574.db2.gz FWLZXVDXCLBEQE-CABCVRRESA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCOCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001753692153 1188642163 /nfs/dbraw/zinc/64/21/63/1188642163.db2.gz KLGUQGUDZUZAJD-GOEBONIOSA-N 2 0 309.454 0.967 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001753709426 1188644741 /nfs/dbraw/zinc/64/47/41/1188644741.db2.gz YHAVMRCXNKHDIB-ZNMIVQPWSA-N 2 0 324.469 0.455 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001753766908 1188653006 /nfs/dbraw/zinc/65/30/06/1188653006.db2.gz LLJLAAGPNAJXKO-CVEARBPZSA-N 2 0 319.449 0.559 20 30 DCEDRP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001754759454 1188926264 /nfs/dbraw/zinc/92/62/64/1188926264.db2.gz MCHGKKHPVSBGOR-QGZVFWFLSA-N 2 0 309.454 0.847 20 30 DCEDRP C=C(C)C[NH+]1CCC[C@](CO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001754861727 1188953736 /nfs/dbraw/zinc/95/37/36/1188953736.db2.gz NVAGGPJORXOQGO-WBVHZDCISA-N 2 0 309.454 0.847 20 30 DCEDRP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001754942118 1188977700 /nfs/dbraw/zinc/97/77/00/1188977700.db2.gz GSHFOZCFNZTGRT-DLBZAZTESA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H](C[NH2+]CC#CC)C2)CC1 ZINC001755017454 1188997512 /nfs/dbraw/zinc/99/75/12/1188997512.db2.gz LRYYIQBKZULSEE-KRWDZBQOSA-N 2 0 317.433 0.172 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001755189415 1189051319 /nfs/dbraw/zinc/05/13/19/1189051319.db2.gz PIXXDZJXZWHWDS-HOTGVXAUSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001755481833 1189123947 /nfs/dbraw/zinc/12/39/47/1189123947.db2.gz XQEPAZNVWMLPEU-RBSFLKMASA-N 2 0 322.453 0.115 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C[NH2+]C[C@@H](C)O)C2CC2)CC1 ZINC001755573142 1189150800 /nfs/dbraw/zinc/15/08/00/1189150800.db2.gz NIUILNHEEGHRBY-RHSMWYFYSA-N 2 0 321.465 0.539 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCC)CC1 ZINC001755807561 1189226408 /nfs/dbraw/zinc/22/64/08/1189226408.db2.gz ILJYRWNUOFZWDJ-INIZCTEOSA-N 2 0 309.454 0.493 20 30 DCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001077553122 751441744 /nfs/dbraw/zinc/44/17/44/751441744.db2.gz BUCXWJJIQULMFA-ARFHVFGLSA-N 2 0 309.454 0.846 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106984416 751709854 /nfs/dbraw/zinc/70/98/54/751709854.db2.gz MUNSIWMJNIIMSU-HUUCEWRRSA-N 2 0 322.453 0.069 20 30 DCEDRP COCC#CC[NH2+]CC1(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001167232939 747031659 /nfs/dbraw/zinc/03/16/59/747031659.db2.gz VCNOSVDDCXHFAS-MRXNPFEDSA-N 2 0 321.465 0.854 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167667701 747466778 /nfs/dbraw/zinc/46/67/78/747466778.db2.gz LWWLIXIEEUQBTO-AWEZNQCLSA-N 2 0 324.469 0.505 20 30 DCEDRP C=CCCC[NH2+]Cc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105320651 748130647 /nfs/dbraw/zinc/13/06/47/748130647.db2.gz DYAUNLMRDNSVDP-UHFFFAOYSA-N 2 0 320.441 0.669 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757219 749978852 /nfs/dbraw/zinc/97/88/52/749978852.db2.gz NYHLZLRYRMKKJL-XTCFQUFBSA-N 2 0 317.433 0.452 20 30 DCEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@@H](O)C1 ZINC001083505949 750054674 /nfs/dbraw/zinc/05/46/74/750054674.db2.gz KAAQSAKSHIOICM-OAGGEKHMSA-N 2 0 309.454 0.988 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](C)OC)[C@@H]2C)CC1 ZINC001089059333 750781503 /nfs/dbraw/zinc/78/15/03/750781503.db2.gz IOGBOZAGTGLXID-INMHGKMJSA-N 2 0 321.465 0.946 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001106146386 750985313 /nfs/dbraw/zinc/98/53/13/750985313.db2.gz ZZGDNUCSDNZJPG-HUUCEWRRSA-N 2 0 319.453 0.928 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106455414 751154147 /nfs/dbraw/zinc/15/41/47/751154147.db2.gz SFBNGPZEQCBNTK-HCBPCCMXSA-N 2 0 319.449 0.720 20 30 DCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001106752098 751267668 /nfs/dbraw/zinc/26/76/68/751267668.db2.gz PKKCCWJUIBPBGF-HUUCEWRRSA-N 2 0 319.453 0.928 20 30 DCEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C ZINC001106767893 751271104 /nfs/dbraw/zinc/27/11/04/751271104.db2.gz YQJCDCSWXMDLKR-HZPDHXFCSA-N 2 0 309.454 0.969 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001106779623 751275118 /nfs/dbraw/zinc/27/51/18/751275118.db2.gz TYIWOZMGJFDEFY-HUUCEWRRSA-N 2 0 324.469 0.315 20 30 DCEDRP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001045663974 753284683 /nfs/dbraw/zinc/28/46/83/753284683.db2.gz UDBBKXKBQMVJPH-HOTGVXAUSA-N 2 0 319.449 0.701 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046010070 753412383 /nfs/dbraw/zinc/41/23/83/753412383.db2.gz HSSUCKWYKUFPFH-IAGOWNOFSA-N 2 0 318.465 0.322 20 30 DCEDRP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001046062531 753456190 /nfs/dbraw/zinc/45/61/90/753456190.db2.gz UFYJFJBZUKLENV-DLBZAZTESA-N 2 0 322.497 0.977 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001046063686 753457395 /nfs/dbraw/zinc/45/73/95/753457395.db2.gz UUHZBEVDCKEIIE-SJORKVTESA-N 2 0 320.481 0.568 20 30 DCEDRP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046082236 753471523 /nfs/dbraw/zinc/47/15/23/753471523.db2.gz PFCVDFLBFLTUCF-IAGOWNOFSA-N 2 0 318.465 0.180 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](C[C@@H](C)O)C2)CC1 ZINC001046850518 753980694 /nfs/dbraw/zinc/98/06/94/753980694.db2.gz VLNMXLUASQARKF-RHSMWYFYSA-N 2 0 307.438 0.293 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083863978 754449125 /nfs/dbraw/zinc/44/91/25/754449125.db2.gz RGKXICXXZLPNBG-SJORKVTESA-N 2 0 315.417 0.546 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](C)O)CC1 ZINC001096608282 755459173 /nfs/dbraw/zinc/45/91/73/755459173.db2.gz UMHWMOCFXOYSEW-SIXLDLHFSA-N 2 0 319.449 0.434 20 30 DCEDRP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)O2 ZINC001053698694 756151567 /nfs/dbraw/zinc/15/15/67/756151567.db2.gz SJFBDZLNRJESHP-GJZGRUSLSA-N 2 0 307.438 0.864 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090392454 757355852 /nfs/dbraw/zinc/35/58/52/757355852.db2.gz SORKAECRWLZTBF-LSDHHAIUSA-N 2 0 307.438 0.742 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084349740 757797516 /nfs/dbraw/zinc/79/75/16/757797516.db2.gz YRXOGAZJNQIFCW-IXDOHACOSA-N 2 0 301.434 0.884 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148057767 767906003 /nfs/dbraw/zinc/90/60/03/767906003.db2.gz KBGPGVRYZIPHDY-GFCCVEGCSA-N 2 0 319.409 0.158 20 30 DCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001148226307 767941852 /nfs/dbraw/zinc/94/18/52/767941852.db2.gz BRNWCFLYSLUCGK-MRXNPFEDSA-N 2 0 321.465 0.757 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169808054 760867618 /nfs/dbraw/zinc/86/76/18/760867618.db2.gz AXULEXNOZMCOBC-HUUCEWRRSA-N 2 0 322.453 0.095 20 30 DCEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685412 762987272 /nfs/dbraw/zinc/98/72/72/762987272.db2.gz RLXHRVXMSBKHQV-ILXRZTDVSA-N 2 0 318.425 0.290 20 30 DCEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099874181 763091467 /nfs/dbraw/zinc/09/14/67/763091467.db2.gz HFAGOQRYVDDPMW-GJZGRUSLSA-N 2 0 309.454 0.988 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001130054682 763102436 /nfs/dbraw/zinc/10/24/36/763102436.db2.gz JXZVIRHPCYOKFI-KGLIPLIRSA-N 2 0 306.414 0.147 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001099938439 763143758 /nfs/dbraw/zinc/14/37/58/763143758.db2.gz WASNFCGTOLVUEP-CVEARBPZSA-N 2 0 321.465 0.826 20 30 DCEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001099985502 763189147 /nfs/dbraw/zinc/18/91/47/763189147.db2.gz CXRFUBVUKRZMFB-JKSUJKDBSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100013311 763216364 /nfs/dbraw/zinc/21/63/64/763216364.db2.gz LGDDIQPATHVBCW-HUUCEWRRSA-N 2 0 309.454 0.539 20 30 DCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130669882 763427149 /nfs/dbraw/zinc/42/71/49/763427149.db2.gz LMJLVSBWQSDBMR-GOEBONIOSA-N 2 0 317.437 0.279 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](O)C1 ZINC001090491123 763433660 /nfs/dbraw/zinc/43/36/60/763433660.db2.gz XMHCJPJRJXMQBN-HUUCEWRRSA-N 2 0 309.454 0.988 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1c1cn(C)cn1 ZINC001130719341 763458304 /nfs/dbraw/zinc/45/83/04/763458304.db2.gz KLDYCXSAUXXSFO-GOEBONIOSA-N 2 0 319.453 0.832 20 30 DCEDRP C#CCC[NH2+]C1CC(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001100746026 763757654 /nfs/dbraw/zinc/75/76/54/763757654.db2.gz DGWPMQJTBGXUPF-UHFFFAOYSA-N 2 0 317.437 0.566 20 30 DCEDRP C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@@H](C)O2 ZINC001131681682 763935589 /nfs/dbraw/zinc/93/55/89/763935589.db2.gz GIVZIMFDKLBZDZ-NVXWUHKLSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001133690662 765095352 /nfs/dbraw/zinc/09/53/52/765095352.db2.gz SHSKRBCAPCFNDK-UONOGXRCSA-N 2 0 312.458 0.503 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCCCC1 ZINC001115546234 765755723 /nfs/dbraw/zinc/75/57/23/765755723.db2.gz HUDJELQEZWRWRS-HOTGVXAUSA-N 2 0 319.449 0.892 20 30 DCEDRP COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135391207 765913422 /nfs/dbraw/zinc/91/34/22/765913422.db2.gz RDQSIFOOEGBKBX-HUUCEWRRSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135923270 766173539 /nfs/dbraw/zinc/17/35/39/766173539.db2.gz JKMPHPUZUSHPCX-CABCVRRESA-N 2 0 313.442 0.087 20 30 DCEDRP [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)C1 ZINC001118506513 766337880 /nfs/dbraw/zinc/33/78/80/766337880.db2.gz OOKHKEBYDRQFFX-IRXDYDNUSA-N 2 0 319.449 0.734 20 30 DCEDRP C=CCC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090610888 766373172 /nfs/dbraw/zinc/37/31/72/766373172.db2.gz WOTMRKWKGNBOPJ-JKSUJKDBSA-N 2 0 309.454 0.846 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C(C)C)C[C@@H]2O)CC1 ZINC001090830801 766649095 /nfs/dbraw/zinc/64/90/95/766649095.db2.gz OWHQSIZRQLAZSQ-HOTGVXAUSA-N 2 0 307.438 0.291 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)CC)C1=O ZINC001161227346 768702303 /nfs/dbraw/zinc/70/23/03/768702303.db2.gz ZUVIYKOIRRXLPC-CQSZACIVSA-N 2 0 324.469 0.600 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001203337750 769405770 /nfs/dbraw/zinc/40/57/70/769405770.db2.gz SHTDSKRBWDFVLA-AWEZNQCLSA-N 2 0 322.453 0.211 20 30 DCEDRP N#Cc1ccc(C(=O)N2CCC([NH2+]CCOCC[NH3+])CC2)cc1 ZINC001173424156 769624826 /nfs/dbraw/zinc/62/48/26/769624826.db2.gz UAKVKGGGEPFFJZ-UHFFFAOYSA-N 2 0 316.405 0.728 20 30 DCEDRP N#CCc1ccccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871125 769955809 /nfs/dbraw/zinc/95/58/09/769955809.db2.gz PKSURZOTEOTCNR-UHFFFAOYSA-N 2 0 301.438 0.337 20 30 DCEDRP N#Cc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)c(F)cc1F ZINC001235874504 769957424 /nfs/dbraw/zinc/95/74/24/769957424.db2.gz QVFWIDIREQVDGT-UHFFFAOYSA-N 2 0 323.391 0.421 20 30 DCEDRP C#CCC[NH+]1CCCO[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001150588676 770096909 /nfs/dbraw/zinc/09/69/09/770096909.db2.gz QUFAGRDQECZOFA-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001154381755 770163190 /nfs/dbraw/zinc/16/31/90/770163190.db2.gz STNJJDDXMMWNFN-JBCIKUTRSA-N 2 0 319.449 0.700 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176999436 770287499 /nfs/dbraw/zinc/28/74/99/770287499.db2.gz WDFOZFKAFLRIOV-INIZCTEOSA-N 2 0 309.454 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@H](C)COC)[C@@H]2C)CC1 ZINC001180203925 771074189 /nfs/dbraw/zinc/07/41/89/771074189.db2.gz BWXSPCQLKVUUSN-VYDXJSESSA-N 2 0 321.465 0.946 20 30 DCEDRP N#CCCN(Cc1cccnc1)C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001157730711 771660097 /nfs/dbraw/zinc/66/00/97/771660097.db2.gz QXUBKABKYCUROC-OAHLLOKOSA-N 2 0 301.394 0.651 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001183738586 771695769 /nfs/dbraw/zinc/69/57/69/771695769.db2.gz LYCYPHBOEZYTSU-ZIAGYGMSSA-N 2 0 324.469 0.598 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001183765236 771698821 /nfs/dbraw/zinc/69/88/21/771698821.db2.gz QXDRNQHFPDEJGT-UONOGXRCSA-N 2 0 322.453 0.045 20 30 DCEDRP C=C1C[NH2+][C@](C)(C(=O)N2[C@H](C(=O)OCC)C[C@H]3C[NH2+]C[C@H]32)C1 ZINC001158497726 771782973 /nfs/dbraw/zinc/78/29/73/771782973.db2.gz FPSCARGCWKPITI-JFILPPLUSA-N 2 0 307.394 0.047 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001185157725 771878105 /nfs/dbraw/zinc/87/81/05/771878105.db2.gz ICNAGZKNMPWYNL-HRCADAONSA-N 2 0 307.438 0.557 20 30 DCEDRP C=CCOCc1nn(C)c2c1CN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2 ZINC001159381773 771903589 /nfs/dbraw/zinc/90/35/89/771903589.db2.gz FXAMGDFGAGJPNS-CYBMUJFWSA-N 2 0 321.425 0.074 20 30 DCEDRP C=CCN1C(=O)CC[C@@]12CCCN(C(=O)C[NH2+]CCC[NH3+])CC2 ZINC001159654078 771940132 /nfs/dbraw/zinc/94/01/32/771940132.db2.gz YPNQAWCEVWZCGK-QGZVFWFLSA-N 2 0 322.453 0.485 20 30 DCEDRP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001159837161 771967070 /nfs/dbraw/zinc/96/70/70/771967070.db2.gz BBCDZMXBTXCTOA-MRXNPFEDSA-N 2 0 309.454 0.710 20 30 DCEDRP C#CC[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001186097914 772002775 /nfs/dbraw/zinc/00/27/75/772002775.db2.gz YGEMAYQHYGBVFE-IRXDYDNUSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C)C1=O ZINC001160427267 772035795 /nfs/dbraw/zinc/03/57/95/772035795.db2.gz NXRYNUPQGOEOGU-CABCVRRESA-N 2 0 324.469 0.455 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001186730799 772080821 /nfs/dbraw/zinc/08/08/21/772080821.db2.gz DQUBLWJWSLJMSU-QGZVFWFLSA-N 2 0 321.465 0.947 20 30 DCEDRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc1ccccc1C#N)C2 ZINC001160963001 772142778 /nfs/dbraw/zinc/14/27/78/772142778.db2.gz IEAJRZCXEDLALA-SOLBZPMBSA-N 2 0 312.417 0.838 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161051801 772159435 /nfs/dbraw/zinc/15/94/35/772159435.db2.gz BUXWAJLSOZMFMK-KBPBESRZSA-N 2 0 310.442 0.257 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189786648 772532882 /nfs/dbraw/zinc/53/28/82/772532882.db2.gz HCCFBJOZHKTODJ-YESZJQIVSA-N 2 0 319.449 0.511 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001163833143 772579428 /nfs/dbraw/zinc/57/94/28/772579428.db2.gz KDRWIOJHTOCILH-UHFFFAOYSA-N 2 0 310.442 0.259 20 30 DCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190646121 772657688 /nfs/dbraw/zinc/65/76/88/772657688.db2.gz XKGGTKSDCRILOK-HNNXBMFYSA-N 2 0 307.438 0.653 20 30 DCEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001164596792 772686970 /nfs/dbraw/zinc/68/69/70/772686970.db2.gz RXDDUMCMEQDGTK-JKSUJKDBSA-N 2 0 319.449 0.749 20 30 DCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001166425735 772810431 /nfs/dbraw/zinc/81/04/31/772810431.db2.gz UGJRHVDTYYRZPQ-CQSZACIVSA-N 2 0 312.458 0.505 20 30 DCEDRP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001193024453 772997100 /nfs/dbraw/zinc/99/71/00/772997100.db2.gz ZABIXKOARLXNTO-ARFHVFGLSA-N 2 0 307.438 0.456 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001206952417 773146342 /nfs/dbraw/zinc/14/63/42/773146342.db2.gz ODHHWIPTIFEKLT-UHFFFAOYSA-N 2 0 324.469 0.457 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC#CCOC)C[C@H]2C)CC[N@@H+]1C ZINC001207000409 773159958 /nfs/dbraw/zinc/15/99/58/773159958.db2.gz DGYBRRRELZTAMW-YYIAUSFCSA-N 2 0 321.465 0.803 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194294069 773178281 /nfs/dbraw/zinc/17/82/81/773178281.db2.gz JNGGHBYJOZRGIT-HUUCEWRRSA-N 2 0 324.469 0.550 20 30 DCEDRP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001195593839 773440437 /nfs/dbraw/zinc/44/04/37/773440437.db2.gz BPSYYKBDPLOHMT-CAOSSQGBSA-N 2 0 309.454 0.844 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208493030 773477293 /nfs/dbraw/zinc/47/72/93/773477293.db2.gz YFYDUYKBGSRCSE-MRXNPFEDSA-N 2 0 319.449 0.845 20 30 DCEDRP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208530053 773487881 /nfs/dbraw/zinc/48/78/81/773487881.db2.gz CRAHLPRXPIBLBI-BZUAXINKSA-N 2 0 309.454 0.659 20 30 DCEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210217473 773686518 /nfs/dbraw/zinc/68/65/18/773686518.db2.gz IXICCNHNZMYIQG-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210217713 773686562 /nfs/dbraw/zinc/68/65/62/773686562.db2.gz LSJBYJLFWDPVQG-HUUCEWRRSA-N 2 0 324.469 0.600 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC#CCOC)C1 ZINC001214780289 774014043 /nfs/dbraw/zinc/01/40/43/774014043.db2.gz TYLKGYOZEYAVJB-BRWVUGGUSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001214949986 774028719 /nfs/dbraw/zinc/02/87/19/774028719.db2.gz IFHMNBJSDAABTP-MGPQQGTHSA-N 2 0 310.442 0.065 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)C1=O ZINC001215461223 774074664 /nfs/dbraw/zinc/07/46/64/774074664.db2.gz XBQBKTVWEDWSBL-QLFBSQMISA-N 2 0 322.453 0.162 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215544220 774081961 /nfs/dbraw/zinc/08/19/61/774081961.db2.gz LAYKPQPXNISXPO-RRFJBIMHSA-N 2 0 322.453 0.067 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216384055 774115245 /nfs/dbraw/zinc/11/52/45/774115245.db2.gz WANMOAUFOCUXKZ-BZUAXINKSA-N 2 0 307.438 0.415 20 30 DCEDRP N#Cc1c2c(sc1NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C[NH2+]CC2 ZINC001218551370 774245004 /nfs/dbraw/zinc/24/50/04/774245004.db2.gz MSHZBANFLOBHBP-NSHDSACASA-N 2 0 316.390 0.497 20 30 DCEDRP N#Cc1c(NC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)sc2c1CC[NH2+]C2 ZINC001218552672 774245909 /nfs/dbraw/zinc/24/59/09/774245909.db2.gz JGGYKAUONCKHRR-BJOHPYRUSA-N 2 0 317.418 0.155 20 30 DCEDRP COC(=O)c1scc(C#N)c1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218604730 774261173 /nfs/dbraw/zinc/26/11/73/774261173.db2.gz GVZJHSKOUDPWEB-VIFPVBQESA-N 2 0 320.374 0.154 20 30 DCEDRP COC(=O)c1scc(C#N)c1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218604729 774261199 /nfs/dbraw/zinc/26/11/99/774261199.db2.gz GVZJHSKOUDPWEB-SECBINFHSA-N 2 0 320.374 0.154 20 30 DCEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218694958 774281297 /nfs/dbraw/zinc/28/12/97/774281297.db2.gz HJKNVQZRJBKHOK-BDJLRTHQSA-N 2 0 301.394 0.652 20 30 DCEDRP C#Cc1ccc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc1F ZINC001219384057 774473357 /nfs/dbraw/zinc/47/33/57/774473357.db2.gz IBHDYYGTLSWNSB-HNNXBMFYSA-N 2 0 304.369 0.496 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)CCCO1 ZINC001201403607 774501895 /nfs/dbraw/zinc/50/18/95/774501895.db2.gz NCZJIDUVDJUANQ-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001202303172 774632690 /nfs/dbraw/zinc/63/26/90/774632690.db2.gz ZNFWZTVWTBILSR-UHFFFAOYSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)CC[NH+](C)C)CC2)C1=O ZINC001202321671 774635993 /nfs/dbraw/zinc/63/59/93/774635993.db2.gz CBCNCTUKBMQZSL-OAHLLOKOSA-N 2 0 322.453 0.306 20 30 DCEDRP N#Cc1ccccc1OCCCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220685132 774888651 /nfs/dbraw/zinc/88/86/51/774888651.db2.gz PEAYBGKEXSSTAM-ZDUSSCGKSA-N 2 0 322.434 0.463 20 30 DCEDRP N#Cc1ccccc1OCCCNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220685368 774890240 /nfs/dbraw/zinc/89/02/40/774890240.db2.gz VCLOOQTYNCUDDF-AWEZNQCLSA-N 2 0 304.394 0.900 20 30 DCEDRP C#CC[C@]1(C(=O)NC[C@H]2CC[NH2+][C@H]2c2cccnc2)CCC[NH2+]1 ZINC001220788442 774915634 /nfs/dbraw/zinc/91/56/34/774915634.db2.gz DUPJKPOJCGGYBU-SOLBZPMBSA-N 2 0 312.417 0.994 20 30 DCEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221367204 775078199 /nfs/dbraw/zinc/07/81/99/775078199.db2.gz NFCVLYGWHSBZEE-RRFJBIMHSA-N 2 0 304.369 0.634 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001222641402 775405609 /nfs/dbraw/zinc/40/56/09/775405609.db2.gz LARBXQILCHVJJR-OAHLLOKOSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCNC(=O)C[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224325907 775559665 /nfs/dbraw/zinc/55/96/65/775559665.db2.gz IUBMNDUUKANZBU-UHFFFAOYSA-N 2 0 310.442 0.069 20 30 DCEDRP COCC#CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001227986663 776033544 /nfs/dbraw/zinc/03/35/44/776033544.db2.gz IUSHEXZLWPFXNP-INIZCTEOSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001229199519 776168261 /nfs/dbraw/zinc/16/82/61/776168261.db2.gz BZUAMQHNZPOJJO-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001229859873 776232150 /nfs/dbraw/zinc/23/21/50/776232150.db2.gz GPGUYRRBWTXDQB-HUUCEWRRSA-N 2 0 324.469 0.647 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]CC#Cc1ccc(F)cc1 ZINC001278146978 945157057 /nfs/dbraw/zinc/15/70/57/945157057.db2.gz JBZHPNLPPSDMRD-MRXNPFEDSA-N 2 0 321.396 0.196 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2cnoc2C)CC1 ZINC001317669877 945158662 /nfs/dbraw/zinc/15/86/62/945158662.db2.gz NPQJUORULCGZHP-UHFFFAOYSA-N 2 0 318.421 0.876 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)Cc1ncc[nH]1)C1CCCC1 ZINC001278282980 945207373 /nfs/dbraw/zinc/20/73/73/945207373.db2.gz RIMZBHCLYGIQMA-HNNXBMFYSA-N 2 0 318.421 0.867 20 30 DCEDRP C=CCNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001317862915 945210359 /nfs/dbraw/zinc/21/03/59/945210359.db2.gz JVEPNDNQOQBFDA-OAHLLOKOSA-N 2 0 324.469 0.409 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001266264899 939035277 /nfs/dbraw/zinc/03/52/77/939035277.db2.gz NTMBQVWJFROBPE-HZPDHXFCSA-N 2 0 306.454 0.084 20 30 DCEDRP C=CCNC(=O)CN(C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001480864813 939049856 /nfs/dbraw/zinc/04/98/56/939049856.db2.gz UJXLVHZDVNCXIU-AWEZNQCLSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CC[N@H+]1CC[C@H](CCNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001267567190 939502183 /nfs/dbraw/zinc/50/21/83/939502183.db2.gz MHVCAXIQYJKTCX-HNNXBMFYSA-N 2 0 317.437 0.520 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ncccn1 ZINC001267988842 939722322 /nfs/dbraw/zinc/72/23/22/939722322.db2.gz APQCOKCRCIBTSQ-CABCVRRESA-N 2 0 315.421 0.416 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001481495597 939903045 /nfs/dbraw/zinc/90/30/45/939903045.db2.gz MQYKCEHDBSTVKR-HZPDHXFCSA-N 2 0 307.438 0.511 20 30 DCEDRP C=CCNC(=O)[C@H](C)N1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481537454 939926194 /nfs/dbraw/zinc/92/61/94/939926194.db2.gz INBZEFQPKMCOSK-KKUMJFAQSA-N 2 0 324.469 0.598 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCO)[C@@H](C)C2)CC1 ZINC001268142909 939958243 /nfs/dbraw/zinc/95/82/43/939958243.db2.gz SBSSBNKRAGPSPL-RDJZCZTQSA-N 2 0 321.465 0.541 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001268269754 940013038 /nfs/dbraw/zinc/01/30/38/940013038.db2.gz VQJJSASEMHXEBA-HUUCEWRRSA-N 2 0 322.453 0.163 20 30 DCEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001268307534 940047001 /nfs/dbraw/zinc/04/70/01/940047001.db2.gz HGGNUZSSEBZNGC-HOTGVXAUSA-N 2 0 307.438 0.483 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CC[C@@H](C)F)CC1 ZINC001268335813 940067080 /nfs/dbraw/zinc/06/70/80/940067080.db2.gz XHRPHJWZFBLVFE-UKRRQHHQSA-N 2 0 313.417 0.146 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001270444067 940902068 /nfs/dbraw/zinc/90/20/68/940902068.db2.gz PEPXIMOYZNPXLY-CQSZACIVSA-N 2 0 322.453 0.259 20 30 DCEDRP C=CCC[C@H](C)[NH+]1CC(O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001271298191 941344068 /nfs/dbraw/zinc/34/40/68/941344068.db2.gz VYAGHKNLLAMQCB-AWEZNQCLSA-N 2 0 309.454 0.988 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]C[C@H](CC)OC)CC1 ZINC001483198045 941932389 /nfs/dbraw/zinc/93/23/89/941932389.db2.gz KTIXGLUYBDFSQM-ZBFHGGJFSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CCN1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483650672 942624632 /nfs/dbraw/zinc/62/46/32/942624632.db2.gz HSWRQXQZDFQGLZ-CVEARBPZSA-N 2 0 305.422 0.169 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001272301516 942674282 /nfs/dbraw/zinc/67/42/82/942674282.db2.gz JTVFZNRSEYWWQH-IRXDYDNUSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001483984651 943071771 /nfs/dbraw/zinc/07/17/71/943071771.db2.gz UJBCVLLBBXHICL-BFYDXBDKSA-N 2 0 321.465 0.634 20 30 DCEDRP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001484548320 943447687 /nfs/dbraw/zinc/44/76/87/943447687.db2.gz BLMRYSBYIWRWSC-HZPDHXFCSA-N 2 0 307.438 0.416 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001484614237 943472925 /nfs/dbraw/zinc/47/29/25/943472925.db2.gz LMPLBIQDFLUNNM-CABCVRRESA-N 2 0 322.453 0.354 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001484841373 943590952 /nfs/dbraw/zinc/59/09/52/943590952.db2.gz HUSPACNNZLLEIR-SJLPKXTDSA-N 2 0 321.465 0.827 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCOCC1 ZINC001484863914 943606219 /nfs/dbraw/zinc/60/62/19/943606219.db2.gz GKYWIIXORXCVGI-OAHLLOKOSA-N 2 0 305.422 0.216 20 30 DCEDRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC#CCOC)C2)C1 ZINC001490921366 943678052 /nfs/dbraw/zinc/67/80/52/943678052.db2.gz BLLVJFBCHNUOOO-ULQDDVLXSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001490953657 943686253 /nfs/dbraw/zinc/68/62/53/943686253.db2.gz BGJNLNGTXOIMGR-KLHDSHLOSA-N 2 0 307.438 0.746 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001491028917 943716303 /nfs/dbraw/zinc/71/63/03/943716303.db2.gz VVAHVYYYWXROPS-IYBDPMFKSA-N 2 0 319.449 0.749 20 30 DCEDRP CC#CC[N@H+](C)CCOCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001485775199 944132329 /nfs/dbraw/zinc/13/23/29/944132329.db2.gz ZEDXKXVPNYCBDL-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001486062215 944523593 /nfs/dbraw/zinc/52/35/93/944523593.db2.gz UMUFZSMVCIOEDR-KRWDZBQOSA-N 2 0 315.417 0.201 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCCOC)C2)CC1 ZINC001317346320 944934636 /nfs/dbraw/zinc/93/46/36/944934636.db2.gz SAZXHOWUAYYJTO-INIZCTEOSA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+][C@H](CC)C(N)=O)CC1 ZINC001317415310 944959887 /nfs/dbraw/zinc/95/98/87/944959887.db2.gz JNSISJACTFNAHX-DZGCQCFKSA-N 2 0 322.453 0.080 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001277873584 945018350 /nfs/dbraw/zinc/01/83/50/945018350.db2.gz HOZSFIIXLBRVGB-HOTGVXAUSA-N 2 0 309.454 0.803 20 30 DCEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246307203 945381132 /nfs/dbraw/zinc/38/11/32/945381132.db2.gz KHBQTMSFMPEZHS-KBPBESRZSA-N 2 0 311.426 0.324 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]C[C@H]2CCOC2)CC1 ZINC001318608791 945411696 /nfs/dbraw/zinc/41/16/96/945411696.db2.gz YUUZXSGZDNFOFO-NVXWUHKLSA-N 2 0 321.465 0.853 20 30 DCEDRP C=CCOCc1nn([C@@H]2CCNC3(C[NH2+]C3)C2)c2c1C[NH2+]C2 ZINC001246701745 945464866 /nfs/dbraw/zinc/46/48/66/945464866.db2.gz MJMGMLZDSUWACF-GFCCVEGCSA-N 2 0 303.410 0.455 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)CCC[C@@H](C)O)CC1 ZINC001320090635 945738681 /nfs/dbraw/zinc/73/86/81/945738681.db2.gz NPBMHYSPFRUFGY-MRXNPFEDSA-N 2 0 323.481 0.883 20 30 DCEDRP C=C[C@H](O)C[N@@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001253576639 946132550 /nfs/dbraw/zinc/13/25/50/946132550.db2.gz NGLMQDYJSWHWSK-HNNXBMFYSA-N 2 0 305.422 0.357 20 30 DCEDRP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001278805649 946426843 /nfs/dbraw/zinc/42/68/43/946426843.db2.gz OUAZXOUXBNNDGF-DOTOQJQBSA-N 2 0 309.454 0.683 20 30 DCEDRP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001278805652 946427454 /nfs/dbraw/zinc/42/74/54/946427454.db2.gz OUAZXOUXBNNDGF-WBVHZDCISA-N 2 0 309.454 0.683 20 30 DCEDRP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001278809832 946428552 /nfs/dbraw/zinc/42/85/52/946428552.db2.gz HOXJETIKHXSZKN-SJLPKXTDSA-N 2 0 321.465 0.827 20 30 DCEDRP C#Cc1ccc(CNC(=O)NCCN2CCC([NH3+])CC2)cc1 ZINC001262583331 947733514 /nfs/dbraw/zinc/73/35/14/947733514.db2.gz UZIUAKIPROWQDP-UHFFFAOYSA-N 2 0 300.406 0.890 20 30 DCEDRP C=CCOCC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001325450989 947799240 /nfs/dbraw/zinc/79/92/40/947799240.db2.gz TUBKQAFVRJQAAC-KGLIPLIRSA-N 2 0 306.410 0.981 20 30 DCEDRP C#CC[NH2+]CC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001263098200 947808497 /nfs/dbraw/zinc/80/84/97/947808497.db2.gz VTCYWZMJFYWHFC-HZPDHXFCSA-N 2 0 306.454 0.226 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)C1=O ZINC001179482436 947851482 /nfs/dbraw/zinc/85/14/82/947851482.db2.gz SSYIPEJTXWTGKQ-KKUMJFAQSA-N 2 0 322.453 0.304 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)[C@H]1C ZINC001179534744 947854417 /nfs/dbraw/zinc/85/44/17/947854417.db2.gz ULWJJCWWLYIWPI-PMPSAXMXSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CCN1CC[C@@]2(CC[N@@H+](CCCN3CC[NH+](C)CC3)C2)C1=O ZINC001273728104 948051912 /nfs/dbraw/zinc/05/19/12/948051912.db2.gz DZMKIQLSIGPAJJ-GOSISDBHSA-N 2 0 318.465 0.182 20 30 DCEDRP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001273902321 948672034 /nfs/dbraw/zinc/67/20/34/948672034.db2.gz AXABLRMSPBFZMV-DOTOQJQBSA-N 2 0 309.454 0.990 20 30 DCEDRP O=C(NCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1N=CC=CC1=O ZINC001328479358 948914736 /nfs/dbraw/zinc/91/47/36/948914736.db2.gz XLXLHWKLQKEBDF-ONSHCRPNSA-N 2 0 304.394 0.491 20 30 DCEDRP C=CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001488683518 949059869 /nfs/dbraw/zinc/05/98/69/949059869.db2.gz IKYGSBHREGVWLY-OAHLLOKOSA-N 2 0 307.438 0.818 20 30 DCEDRP C#CC[NH+](C)CCOCCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001264669288 949064224 /nfs/dbraw/zinc/06/42/24/949064224.db2.gz OKBKGSKZDDBDGD-INIZCTEOSA-N 2 0 309.454 0.901 20 30 DCEDRP C=CC[NH+]1CCN(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001265258303 949503493 /nfs/dbraw/zinc/50/34/93/949503493.db2.gz FRINEWNQKADRGT-MRXNPFEDSA-N 2 0 306.454 0.248 20 30 DCEDRP C=CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001265265324 949515283 /nfs/dbraw/zinc/51/52/83/949515283.db2.gz VWCBCHSAVJPOCM-DLBZAZTESA-N 2 0 320.481 0.923 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001265663884 949861742 /nfs/dbraw/zinc/86/17/42/949861742.db2.gz MVEQVGJZSYCOMP-CVEARBPZSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001265679272 949870047 /nfs/dbraw/zinc/87/00/47/949870047.db2.gz BCKXJESSXWBJOV-MRXNPFEDSA-N 2 0 309.454 0.949 20 30 DCEDRP C=CCNC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001265848226 950033838 /nfs/dbraw/zinc/03/38/38/950033838.db2.gz IHQFYIUPEOOLSU-OAHLLOKOSA-N 2 0 322.453 0.069 20 30 DCEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)CCN2CCOCC2)C(C)(C)C1 ZINC001330245277 950228742 /nfs/dbraw/zinc/22/87/42/950228742.db2.gz XXKQLEALQAOXRZ-OAHLLOKOSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266144543 950413434 /nfs/dbraw/zinc/41/34/34/950413434.db2.gz UJDXHNXDLDIDTQ-HIFRSBDPSA-N 2 0 322.453 0.115 20 30 DCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001330608626 950545918 /nfs/dbraw/zinc/54/59/18/950545918.db2.gz SEOJKUQJKMEDOX-GJZGRUSLSA-N 2 0 308.426 0.625 20 30 DCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC001330640272 950565668 /nfs/dbraw/zinc/56/56/68/950565668.db2.gz DPHDRJFAWVKLTI-AXFHLTTASA-N 2 0 306.332 0.993 20 30 DCEDRP C=C(C)CC[NH+]1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001490514440 950840589 /nfs/dbraw/zinc/84/05/89/950840589.db2.gz HIKCJPLDNCQCTF-INIZCTEOSA-N 2 0 308.470 0.638 20 30 DCEDRP C[NH+](C)CC1(O)CC[NH+](C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001365324899 950960074 /nfs/dbraw/zinc/96/00/74/950960074.db2.gz YWAWSNPJGOBNTL-MRXNPFEDSA-N 2 0 303.406 0.980 20 30 DCEDRP CC#CC[N@H+](C)CCOCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001331174185 950989447 /nfs/dbraw/zinc/98/94/47/950989447.db2.gz RPCYNIKKODRYPH-HOTGVXAUSA-N 2 0 309.454 0.947 20 30 DCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001281169764 951350464 /nfs/dbraw/zinc/35/04/64/951350464.db2.gz YZQGDTYXMKCFAI-GOSISDBHSA-N 2 0 321.465 0.685 20 30 DCEDRP C[NH+](C)CCN1C[C@]2(CC[N@H+](CCCCC#N)C2)OCC1=O ZINC001274043673 951354313 /nfs/dbraw/zinc/35/43/13/951354313.db2.gz SDLPJLPDCTZQBS-MRXNPFEDSA-N 2 0 308.426 0.545 20 30 DCEDRP C=CCC[NH2+]CC1(O)CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001281613389 951562483 /nfs/dbraw/zinc/56/24/83/951562483.db2.gz SJSSPCBRHGMDJN-UHFFFAOYSA-N 2 0 306.410 0.862 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001332325685 951587886 /nfs/dbraw/zinc/58/78/86/951587886.db2.gz YVZKYJJQHNDRRU-HZPDHXFCSA-N 2 0 321.465 0.995 20 30 DCEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC#CCOC)[C@H](C)C1 ZINC001281687375 951598367 /nfs/dbraw/zinc/59/83/67/951598367.db2.gz XOWFEDFQCFVJTN-HZPDHXFCSA-N 2 0 309.454 0.947 20 30 DCEDRP C=C(C)CC[NH2+]CC1(O)CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001274573833 951708548 /nfs/dbraw/zinc/70/85/48/951708548.db2.gz ZSPDWNBMDQWUEL-UHFFFAOYSA-N 2 0 306.410 0.862 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)C[C@@H]2CCOC2)CC1 ZINC001275729799 952411305 /nfs/dbraw/zinc/41/13/05/952411305.db2.gz PHYZFTDJMNIHEJ-CVEARBPZSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001282834325 953689456 /nfs/dbraw/zinc/68/94/56/953689456.db2.gz UZKIUPDPYPEOLZ-MRXNPFEDSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[NH2+][C@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1(C)C ZINC001284346660 955022971 /nfs/dbraw/zinc/02/29/71/955022971.db2.gz JMRLYQKAHBGTNE-CVEARBPZSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001353548503 956100443 /nfs/dbraw/zinc/10/04/43/956100443.db2.gz JVUZKBGVLYUNAU-HNNXBMFYSA-N 2 0 324.469 0.729 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCN(CCC(=O)OC)C[C@@H]1C ZINC001353809505 956192543 /nfs/dbraw/zinc/19/25/43/956192543.db2.gz RHKFVWXXTHWGIU-UONOGXRCSA-N 2 0 311.426 0.766 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCN(CCC(=O)OC)C[C@H]1C ZINC001353809506 956193400 /nfs/dbraw/zinc/19/34/00/956193400.db2.gz RHKFVWXXTHWGIU-ZIAGYGMSSA-N 2 0 311.426 0.766 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001316659555 957866190 /nfs/dbraw/zinc/86/61/90/957866190.db2.gz PWMIXGLTQUMOLS-DOTOQJQBSA-N 2 0 321.465 0.853 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001379791670 962041489 /nfs/dbraw/zinc/04/14/89/962041489.db2.gz NNZKVLGHEUHFET-KBPBESRZSA-N 2 0 315.845 0.490 20 30 DCEDRP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001369159912 964467553 /nfs/dbraw/zinc/46/75/53/964467553.db2.gz YDRYMWODFMCJKC-STQMWFEESA-N 2 0 303.834 0.896 20 30 DCEDRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2cccc(C#N)c2)C1 ZINC001369381521 964860841 /nfs/dbraw/zinc/86/08/41/964860841.db2.gz KQQDBMRBMLJRMR-HZPDHXFCSA-N 2 0 316.405 0.077 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001369469055 965032248 /nfs/dbraw/zinc/03/22/48/965032248.db2.gz DCHILIMCPYDERY-CYBMUJFWSA-N 2 0 303.834 0.632 20 30 DCEDRP CN(C[C@H](O)C[NH2+]Cc1ccccc1C#N)C(=O)CC[NH+](C)C ZINC001369483584 965053137 /nfs/dbraw/zinc/05/31/37/965053137.db2.gz KLWZSUCQQGWOMJ-MRXNPFEDSA-N 2 0 318.421 0.419 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001369489018 965069489 /nfs/dbraw/zinc/06/94/89/965069489.db2.gz ZTFXKDBWAUAQDE-QWHCGFSZSA-N 2 0 305.850 0.734 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001374624636 965656185 /nfs/dbraw/zinc/65/61/85/965656185.db2.gz OVVPLTBPSACXDG-KGLIPLIRSA-N 2 0 317.861 0.926 20 30 DCEDRP C=C(Cl)CN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001449188053 1014281338 /nfs/dbraw/zinc/28/13/38/1014281338.db2.gz JJZHNGLITZRELR-HZSPNIEDSA-N 2 0 317.861 0.830 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001392390029 991860383 /nfs/dbraw/zinc/86/03/83/991860383.db2.gz GGWLRZUVPDQWLB-AVGNSLFASA-N 2 0 303.834 0.536 20 30 DCEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC001394577940 993857231 /nfs/dbraw/zinc/85/72/31/993857231.db2.gz KKTSKZRLBHYMEI-CVEARBPZSA-N 2 0 316.405 0.219 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001507091633 1015975669 /nfs/dbraw/zinc/97/56/69/1015975669.db2.gz FXUMEQFBIAEMMT-ZIAGYGMSSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001502591620 1015987993 /nfs/dbraw/zinc/98/79/93/1015987993.db2.gz CRYQJARQUWJZMK-AEFFLSMTSA-N 2 0 321.465 0.826 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+][C@@H](C)COC)CC1 ZINC001507162941 1016045850 /nfs/dbraw/zinc/04/58/50/1016045850.db2.gz SVUDRTQENPXNNX-GJZGRUSLSA-N 2 0 309.454 0.803 20 30 DCEDRP C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001507211069 1016130169 /nfs/dbraw/zinc/13/01/69/1016130169.db2.gz ISDMXEMVQLCLIK-CYBMUJFWSA-N 2 0 302.378 0.899 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001507401099 1016305212 /nfs/dbraw/zinc/30/52/12/1016305212.db2.gz SIEVYOYOZVIOBW-CVEARBPZSA-N 2 0 321.465 0.995 20 30 DCEDRP CC#CC[NH2+][C@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1(C)C ZINC001507452215 1016336182 /nfs/dbraw/zinc/33/61/82/1016336182.db2.gz JANIKHGFYFKEQP-CVEARBPZSA-N 2 0 321.465 0.805 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001420209092 1002041483 /nfs/dbraw/zinc/04/14/83/1002041483.db2.gz GZHBJTDBLLMEDG-KGLIPLIRSA-N 2 0 317.861 0.926 20 30 DCEDRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001406289283 1003574492 /nfs/dbraw/zinc/57/44/92/1003574492.db2.gz MRMNUJAGMGXJIO-JKSUJKDBSA-N 2 0 316.405 0.077 20 30 DCEDRP C=CCCCN1CC(CCO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001506096512 1017009668 /nfs/dbraw/zinc/00/96/68/1017009668.db2.gz PLTNYLHLBHNCSR-HUUCEWRRSA-N 2 0 309.454 0.846 20 30 DCEDRP N#Cc1ccc(C[NH2+]C[C@H](O)CNC(=O)C[NH+]2CCCC2)s1 ZINC001439061924 1006424295 /nfs/dbraw/zinc/42/42/95/1006424295.db2.gz SXUKIZUENWNXPV-LBPRGKRZSA-N 2 0 322.434 0.282 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001423481417 1011178777 /nfs/dbraw/zinc/17/87/77/1011178777.db2.gz PZMBFIZJPXGQTL-GFCCVEGCSA-N 2 0 301.818 0.244 20 30 DCEDRP C=CCOCC[NH+]1CC([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001506652171 1017439563 /nfs/dbraw/zinc/43/95/63/1017439563.db2.gz XPERQADGPOURBN-AWEZNQCLSA-N 2 0 309.454 0.967 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001499422773 1017924166 /nfs/dbraw/zinc/92/41/66/1017924166.db2.gz YEBWDZWBBCFEIQ-JKSUJKDBSA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCOCC1 ZINC001500589966 1018504220 /nfs/dbraw/zinc/50/42/20/1018504220.db2.gz WMEAHGIOKQQNIU-CVEARBPZSA-N 2 0 319.449 0.892 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001500689614 1018578420 /nfs/dbraw/zinc/57/84/20/1018578420.db2.gz NEXNXTCOIZXEAK-SFHVURJKSA-N 2 0 321.465 0.992 20 30 DCEDRP C=CCCC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001500725839 1018611349 /nfs/dbraw/zinc/61/13/49/1018611349.db2.gz VJRFBWNHSFLCCI-DOTOQJQBSA-N 2 0 309.454 0.847 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001480568375 1018667141 /nfs/dbraw/zinc/66/71/41/1018667141.db2.gz DINDRHGSTBVEDL-OAHLLOKOSA-N 2 0 321.465 0.853 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001498189460 1018734533 /nfs/dbraw/zinc/73/45/33/1018734533.db2.gz BNDWAKCNIAMJCQ-YPMHNXCESA-N 2 0 303.834 0.802 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(CCO)CC[NH2+]CC2CC2)CC1 ZINC001501514387 1019261011 /nfs/dbraw/zinc/26/10/11/1019261011.db2.gz JWGNFABGOZXLIW-UHFFFAOYSA-N 2 0 307.438 0.152 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CCO1 ZINC001502088130 1019703038 /nfs/dbraw/zinc/70/30/38/1019703038.db2.gz WRWIMURDRIKKJR-CYBMUJFWSA-N 2 0 303.834 0.898 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001496916688 1019758072 /nfs/dbraw/zinc/75/80/72/1019758072.db2.gz QOWSTIHDQVGMIQ-JKSUJKDBSA-N 2 0 319.449 0.607 20 30 DCEDRP C[NH+](C)CCOc1cccc(CNC(=[NH2+])N2CCOCC2)c1 ZINC000264065077 238188553 /nfs/dbraw/zinc/18/85/53/238188553.db2.gz DXPKRVXIQMUDCK-UHFFFAOYSA-N 2 0 306.410 0.774 20 30 DCEDRP C[NH+]=C(NCCc1csc(C)n1)NC[C@H]1C[N@H+](C)CCN1C ZINC000088870075 395708564 /nfs/dbraw/zinc/70/85/64/395708564.db2.gz WVGJUJYLWXIQJS-AWEZNQCLSA-N 2 0 324.498 0.405 20 30 DCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1nc(N)[nH+]c(N)n1 ZINC000599056047 397329083 /nfs/dbraw/zinc/32/90/83/397329083.db2.gz IAVUXXXJNOZOLS-UHFFFAOYSA-N 2 0 312.381 0.137 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3CC[N@@H+](CC)C[C@@H]32)CC1 ZINC000491692058 397503057 /nfs/dbraw/zinc/50/30/57/397503057.db2.gz HRFZTBJLUJCSOJ-DLBZAZTESA-N 2 0 319.449 0.653 20 30 DCEDRP COC[C@H](C)NC(=[NH2+])NCc1ccncc1OCCC[NH+](C)C ZINC000288783498 415686142 /nfs/dbraw/zinc/68/61/42/415686142.db2.gz WRZPOOKQXXUBFS-ZDUSSCGKSA-N 2 0 323.441 0.851 20 30 DCEDRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000329393482 416167327 /nfs/dbraw/zinc/16/73/27/416167327.db2.gz WEWZSISTJBREFE-MRXNPFEDSA-N 2 0 323.485 0.610 20 30 DCEDRP C[C@H](NC(=O)N1CCC([N@H+](C)CCO)CC1)C1=CC[NH+](C)CC1 ZINC000330084807 416196381 /nfs/dbraw/zinc/19/63/81/416196381.db2.gz REOFMYMUOQJTTR-AWEZNQCLSA-N 2 0 324.469 0.939 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2CCC)CC1 ZINC000419736309 416407566 /nfs/dbraw/zinc/40/75/66/416407566.db2.gz XDIFGJMLDNPZAK-HNNXBMFYSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000419736919 416407849 /nfs/dbraw/zinc/40/78/49/416407849.db2.gz XQEYCQCTYRKVLW-HIFRSBDPSA-N 2 0 322.453 0.481 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000490628238 416571273 /nfs/dbraw/zinc/57/12/73/416571273.db2.gz FVQYEKVSUQZBPD-OAHLLOKOSA-N 2 0 306.454 0.084 20 30 DCEDRP C#CCNC(=O)CC[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000491201709 416590437 /nfs/dbraw/zinc/59/04/37/416590437.db2.gz IWJWQVQWXFPHNM-UHFFFAOYSA-N 2 0 302.378 0.352 20 30 DCEDRP C[NH+]1C[C@H]2CCN(CC#CCN3CC[C@H]4C[N@@H+](C)C[C@H]43)[C@@H]2C1 ZINC000644733069 417652019 /nfs/dbraw/zinc/65/20/19/417652019.db2.gz LGGCLXGYBHYWTC-XMTFNYHQSA-N 2 0 302.466 0.262 20 30 DCEDRP C=CCCn1cc(C[NH2+]CCCN2CC[NH+](CC)CC2)nn1 ZINC000657308884 417847836 /nfs/dbraw/zinc/84/78/36/417847836.db2.gz ZWLUYWGVHFMWIH-UHFFFAOYSA-N 2 0 306.458 0.971 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659706220 418155152 /nfs/dbraw/zinc/15/51/52/418155152.db2.gz HJKFMAXLMQZURQ-UHFFFAOYSA-N 2 0 320.437 0.011 20 30 DCEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1C[C@H](C)C[C@H](C)C1 ZINC000262816404 275802722 /nfs/dbraw/zinc/80/27/22/275802722.db2.gz WUURBGBSBZAOAO-OWCLPIDISA-N 2 0 307.486 0.930 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(NC[C@]1(O)CCSC1)=[NH+]C ZINC000262432709 276371207 /nfs/dbraw/zinc/37/12/07/276371207.db2.gz SRGISINKELQNAT-TZMCWYRMSA-N 2 0 300.472 0.504 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000490698612 332857364 /nfs/dbraw/zinc/85/73/64/332857364.db2.gz NLJPMSUQQGCEGG-HNNXBMFYSA-N 2 0 309.454 0.947 20 30 DCEDRP CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000329928403 336096541 /nfs/dbraw/zinc/09/65/41/336096541.db2.gz XWFVVRPXFHBSDA-ZDUSSCGKSA-N 2 0 310.442 0.526 20 30 DCEDRP COc1ccc(NC(=[NH2+])NC[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC000262315144 533991321 /nfs/dbraw/zinc/99/13/21/533991321.db2.gz QOSXDGMNLUTLHA-OAHLLOKOSA-N 2 0 308.382 0.497 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](C)[C@H](C)CC)CC1 ZINC000359262877 526416985 /nfs/dbraw/zinc/41/69/85/526416985.db2.gz HFVLEZDMALIOHX-CQSZACIVSA-N 2 0 324.469 0.600 20 30 DCEDRP CC(C)CNC(=[NH2+])NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000264091551 527954297 /nfs/dbraw/zinc/95/42/97/527954297.db2.gz LBWIEVMVQNSERZ-INIZCTEOSA-N 2 0 304.438 0.966 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000978151843 660490742 /nfs/dbraw/zinc/49/07/42/660490742.db2.gz AGXKVUFSOYLWIN-LUKYLMHMSA-N 2 0 301.434 0.646 20 30 DCEDRP C=CC[NH2+]C1CC(N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000998785309 665527807 /nfs/dbraw/zinc/52/78/07/665527807.db2.gz METDOAIHDCYTLS-UHFFFAOYSA-N 2 0 305.426 0.823 20 30 DCEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971968806 658103796 /nfs/dbraw/zinc/10/37/96/658103796.db2.gz HUVOYGXPKUBHHH-GWUWNPHMSA-N 2 0 305.422 0.568 20 30 DCEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000971968807 658104119 /nfs/dbraw/zinc/10/41/19/658104119.db2.gz HUVOYGXPKUBHHH-GYMHETDLSA-N 2 0 305.422 0.568 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)C1=O ZINC001021904666 658638538 /nfs/dbraw/zinc/63/85/38/658638538.db2.gz BPHLZGKCHJWRRH-BARDWOONSA-N 2 0 320.437 0.104 20 30 DCEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000970170495 658687628 /nfs/dbraw/zinc/68/76/28/658687628.db2.gz STJITZSQIPWMJE-DFFOAJLQSA-N 2 0 317.433 0.309 20 30 DCEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000970191012 658716965 /nfs/dbraw/zinc/71/69/65/658716965.db2.gz PVLWLHKHTJQNLO-GEMJLEDKSA-N 2 0 317.433 0.309 20 30 DCEDRP C#CCN1CCO[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972410998 658734840 /nfs/dbraw/zinc/73/48/40/658734840.db2.gz VOROZXDYFGHCCK-RDJZCZTQSA-N 2 0 305.422 0.263 20 30 DCEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031857260 665661047 /nfs/dbraw/zinc/66/10/47/665661047.db2.gz QZYVTASMMVCTDH-GULBITTBSA-N 2 0 305.422 0.474 20 30 DCEDRP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001026549613 659389814 /nfs/dbraw/zinc/38/98/14/659389814.db2.gz YTZAHXRHHHFJDF-GPANFISMSA-N 2 0 307.438 0.746 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC2CCC([NH2+]CCO)CC2)CC1 ZINC001026609556 659413586 /nfs/dbraw/zinc/41/35/86/659413586.db2.gz MCVSTVIKJUONDE-UHFFFAOYSA-N 2 0 307.438 0.341 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001020236188 659680333 /nfs/dbraw/zinc/68/03/33/659680333.db2.gz UBNZKAGKZCKXSJ-IIAWOOMASA-N 2 0 305.422 0.500 20 30 DCEDRP C=CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@H+]3C)nn2)C1 ZINC000999960074 665718862 /nfs/dbraw/zinc/71/88/62/665718862.db2.gz BJKWKKYEKOUBLK-GJZGRUSLSA-N 2 0 318.425 0.421 20 30 DCEDRP CC#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958174021 661295497 /nfs/dbraw/zinc/29/54/97/661295497.db2.gz BKAJXUFPYVNSRG-HOTGVXAUSA-N 2 0 319.449 0.295 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2[C@@H](C)COC)CC1 ZINC001028333549 661462756 /nfs/dbraw/zinc/46/27/56/661462756.db2.gz NZDHDVNOKDATOJ-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001028546391 661605032 /nfs/dbraw/zinc/60/50/32/661605032.db2.gz UGFGPISUQZREDJ-AWEZNQCLSA-N 2 0 303.410 0.130 20 30 DCEDRP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CN(CC)CCO3)C[C@@]2(C)C1 ZINC000982819591 661682438 /nfs/dbraw/zinc/68/24/38/661682438.db2.gz HKKFCVWEWQOZSQ-NXHRZFHOSA-N 2 0 319.449 0.511 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698834 661765265 /nfs/dbraw/zinc/76/52/65/661765265.db2.gz QPXKFRMFTBHTNI-CTMQZQKCSA-N 2 0 317.433 0.311 20 30 DCEDRP C[NH+]=C(NCC1(O)CCC1)N1CC[C@H](CN2CCOCC2)C1 ZINC000262781877 662579624 /nfs/dbraw/zinc/57/96/24/662579624.db2.gz LIJRSOMNTZUXTR-CQSZACIVSA-N 2 0 310.442 0.131 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000986302181 662581301 /nfs/dbraw/zinc/58/13/01/662581301.db2.gz YMUIDPCZOMSLBP-KBPBESRZSA-N 2 0 303.410 0.271 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001691170635 1157604285 /nfs/dbraw/zinc/60/42/85/1157604285.db2.gz DSBXZLXJWPXIDD-JKSUJKDBSA-N 2 0 307.438 0.416 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001032837150 666288948 /nfs/dbraw/zinc/28/89/48/666288948.db2.gz PBRKSTPVZQSFPG-IKGGRYGDSA-N 2 0 319.449 0.844 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001003330826 666297075 /nfs/dbraw/zinc/29/70/75/666297075.db2.gz DLCUHXJPTNGBQC-GNHJJJEISA-N 2 0 305.422 0.616 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000922629691 666498709 /nfs/dbraw/zinc/49/87/09/666498709.db2.gz YLNHDRXZKLMNRT-GJZGRUSLSA-N 2 0 324.494 0.821 20 30 DCEDRP C#CCN(C(=O)NCCC[N@@H+](C)CC#C)C1CC[NH+](C)CC1 ZINC000922630005 666498878 /nfs/dbraw/zinc/49/88/78/666498878.db2.gz NIJGKDIMEKLJFD-UHFFFAOYSA-N 2 0 304.438 0.681 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033907976 666865537 /nfs/dbraw/zinc/86/55/37/666865537.db2.gz WJKCBZSJIWTJCE-GARNVTTQSA-N 2 0 319.449 0.958 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+](CCCO)C2)CC1 ZINC001034045822 666907190 /nfs/dbraw/zinc/90/71/90/666907190.db2.gz NJDWQQRJUDLMPO-KRWDZBQOSA-N 2 0 321.465 0.637 20 30 DCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000867983538 667523606 /nfs/dbraw/zinc/52/36/06/667523606.db2.gz PRDNIOLZOIQVCL-NWDGAFQWSA-N 2 0 312.295 0.751 20 30 DCEDRP C[NH+]1CCC(n2cc(NC(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)cn2)CC1 ZINC000868189325 667541014 /nfs/dbraw/zinc/54/10/14/667541014.db2.gz AHAMICCKWCJVOX-FZMZJTMJSA-N 2 0 317.397 0.383 20 30 DCEDRP CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@@H]1C[NH+]2CCC1CC2 ZINC000884453091 667548095 /nfs/dbraw/zinc/54/80/95/667548095.db2.gz GDUYMSCUGGVGBT-GYMHETDLSA-N 2 0 302.422 0.678 20 30 DCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000876801490 668513943 /nfs/dbraw/zinc/51/39/43/668513943.db2.gz DGFDCQRTMKIUKJ-YUSALJHKSA-N 2 0 312.295 0.933 20 30 DCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H](CC[NH3+])C(F)F ZINC000876863459 668522946 /nfs/dbraw/zinc/52/29/46/668522946.db2.gz GDKAPZMFAZMGKA-OLZOCXBDSA-N 2 0 308.332 0.844 20 30 DCEDRP C#C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H]1CCCO1 ZINC000776226784 668873388 /nfs/dbraw/zinc/87/33/88/668873388.db2.gz USCCICBVWSQHHR-CABCVRRESA-N 2 0 310.442 0.302 20 30 DCEDRP C=CCOCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267709551 1157931247 /nfs/dbraw/zinc/93/12/47/1157931247.db2.gz XHUSJJIKSDQKEF-HZPDHXFCSA-N 2 0 309.454 0.921 20 30 DCEDRP C#CCN1CCOC2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000949386223 670329367 /nfs/dbraw/zinc/32/93/67/670329367.db2.gz YPAAQDYEIVGAJD-INIZCTEOSA-N 2 0 319.449 0.653 20 30 DCEDRP C=CC[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccncc1 ZINC000819074089 671091825 /nfs/dbraw/zinc/09/18/25/671091825.db2.gz LIYWYYGGBHMXCK-IRXDYDNUSA-N 2 0 304.438 0.897 20 30 DCEDRP [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852891622 671187998 /nfs/dbraw/zinc/18/79/98/671187998.db2.gz UOSBRPUXFHMVKC-FUHWJXTLSA-N 2 0 319.449 0.734 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCO)[C@@H](CC)C2)CC1 ZINC001037986054 693978517 /nfs/dbraw/zinc/97/85/17/693978517.db2.gz ZBBQZBXYTLJQPI-RDJZCZTQSA-N 2 0 321.465 0.541 20 30 DCEDRP CC#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958556567 687744926 /nfs/dbraw/zinc/74/49/26/687744926.db2.gz TXUCZETYZSBJRO-IRXDYDNUSA-N 2 0 321.465 0.539 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2C[C@@H](CC)OC)CC1 ZINC001039042864 694284313 /nfs/dbraw/zinc/28/43/13/694284313.db2.gz YHPRRXATQMMBQM-IAGOWNOFSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001008825459 690930998 /nfs/dbraw/zinc/93/09/98/690930998.db2.gz DJWOQCRSSDWBQM-INIZCTEOSA-N 2 0 317.437 0.662 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](C[C@@H](C)OC)C2)CC1 ZINC001009631455 691078251 /nfs/dbraw/zinc/07/82/51/691078251.db2.gz YRIWZFDOEYUMNE-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@H](CC)OC)C2)CC1 ZINC001016337162 692656714 /nfs/dbraw/zinc/65/67/14/692656714.db2.gz POFPYVHBFBVBIB-SJORKVTESA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C2)C1 ZINC001072760442 694661315 /nfs/dbraw/zinc/66/13/15/694661315.db2.gz AXFUFTNHMLDLLJ-JKSUJKDBSA-N 2 0 319.449 0.960 20 30 DCEDRP C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001076345073 695015814 /nfs/dbraw/zinc/01/58/14/695015814.db2.gz MQIQEKDDQVHKFE-GOEBONIOSA-N 2 0 315.421 0.224 20 30 DCEDRP COCC#CC[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001570652335 1162576695 /nfs/dbraw/zinc/57/66/95/1162576695.db2.gz CJXGLGULCLYOBN-CVEARBPZSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001570710381 1162591711 /nfs/dbraw/zinc/59/17/11/1162591711.db2.gz HHMZAUVOIHTDAC-AWEZNQCLSA-N 2 0 305.426 0.518 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC#CC)C[C@@H]2C)CC1 ZINC001571492382 1162782397 /nfs/dbraw/zinc/78/23/97/1162782397.db2.gz CPPDFBIOYMQUPS-DOTOQJQBSA-N 2 0 301.434 0.934 20 30 DCEDRP C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001571545487 1162802862 /nfs/dbraw/zinc/80/28/62/1162802862.db2.gz CFXCSNFQPYESEX-LSDHHAIUSA-N 2 0 307.438 0.605 20 30 DCEDRP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](CC#CCOC)CC1 ZINC001571697620 1162908621 /nfs/dbraw/zinc/90/86/21/1162908621.db2.gz IDIPQZFBLPIDRQ-UHFFFAOYSA-N 2 0 307.438 0.726 20 30 DCEDRP COCC#CC[N@H+]1CC=C(CNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001571698630 1162912916 /nfs/dbraw/zinc/91/29/16/1162912916.db2.gz MCWZJRGXDYTOBX-KRWDZBQOSA-N 2 0 319.449 0.726 20 30 DCEDRP C=CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001691536080 1158319105 /nfs/dbraw/zinc/31/91/05/1158319105.db2.gz POPAEHGZFDDNFQ-MRXNPFEDSA-N 2 0 309.454 0.944 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@@H](CC)[NH+](C)C)C1=O ZINC001691558155 1158339446 /nfs/dbraw/zinc/33/94/46/1158339446.db2.gz DHCWNQCHGYRKDX-UONOGXRCSA-N 2 0 310.442 0.162 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001691609855 1158356043 /nfs/dbraw/zinc/35/60/43/1158356043.db2.gz LYXDSQRIIKCGSC-QGZVFWFLSA-N 2 0 321.465 0.901 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001672712389 1158622287 /nfs/dbraw/zinc/62/22/87/1158622287.db2.gz GFJVMZSATQFUQP-QGZVFWFLSA-N 2 0 323.481 0.931 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1OCC ZINC001565951320 1159928942 /nfs/dbraw/zinc/92/89/42/1159928942.db2.gz DRESGUZQWSZISN-HZPDHXFCSA-N 2 0 321.465 0.805 20 30 DCEDRP CC#CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001566036281 1159951505 /nfs/dbraw/zinc/95/15/05/1159951505.db2.gz XPKXBDNXOOAXJU-MRXNPFEDSA-N 2 0 309.454 0.637 20 30 DCEDRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001568578368 1160692083 /nfs/dbraw/zinc/69/20/83/1160692083.db2.gz SIRHSMOXMSXQNM-MRXNPFEDSA-N 2 0 303.406 0.057 20 30 DCEDRP C=CCN1CC[C@H]([N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C)C1=O ZINC001569136588 1160955369 /nfs/dbraw/zinc/95/53/69/1160955369.db2.gz VLHFWZRGAKPSBR-KBPBESRZSA-N 2 0 310.442 0.162 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001574603801 1163734266 /nfs/dbraw/zinc/73/42/66/1163734266.db2.gz DOFZEPTYQOXYSD-AWEZNQCLSA-N 2 0 318.425 0.278 20 30 DCEDRP N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CCC1 ZINC001580038210 1165481472 /nfs/dbraw/zinc/48/14/72/1165481472.db2.gz HJHVXGYRJAHNOU-HUUCEWRRSA-N 2 0 318.425 0.819 20 30 DCEDRP N#Cc1ccc(C2CC[NH+](CC(=O)N3CC[NH2+]CC3)CC2)nc1 ZINC001580066905 1165490514 /nfs/dbraw/zinc/49/05/14/1165490514.db2.gz YWAUDORDZALQOJ-UHFFFAOYSA-N 2 0 313.405 0.564 20 30 DCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC001631783788 1171600416 /nfs/dbraw/zinc/60/04/16/1171600416.db2.gz KIGYYKKYNOFOOZ-GDBMZVCRSA-N 2 0 308.470 0.589 20 30 DCEDRP C#CCC[NH2+][C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001661192370 1174105850 /nfs/dbraw/zinc/10/58/50/1174105850.db2.gz BBRBPDLXRMLILB-HOCLYGCPSA-N 2 0 307.438 0.462 20 30 DCEDRP C=CCN1CC[C@H]([N@@H+]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001663620900 1174334204 /nfs/dbraw/zinc/33/42/04/1174334204.db2.gz RRKXWULCTCLQDJ-CABCVRRESA-N 2 0 322.453 0.163 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001666482596 1174604860 /nfs/dbraw/zinc/60/48/60/1174604860.db2.gz ZISDKRYSTNPLMP-LSDHHAIUSA-N 2 0 322.453 0.354 20 30 DCEDRP C=C(C)C[NH2+]C1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001672451577 1175109006 /nfs/dbraw/zinc/10/90/06/1175109006.db2.gz NWSLBXWHAXVOLG-MRXNPFEDSA-N 2 0 308.470 0.827 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+]C[C@@H](C)O)C2)CC1 ZINC001672914996 1175161545 /nfs/dbraw/zinc/16/15/45/1175161545.db2.gz CHKWKRWBMWYKCO-HZPDHXFCSA-N 2 0 321.465 0.541 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]C[C@H](C)OC)CCC2)CC1 ZINC001673242023 1175179472 /nfs/dbraw/zinc/17/94/72/1175179472.db2.gz MGBXJNFTZXOVRH-HNNXBMFYSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001673677021 1175223626 /nfs/dbraw/zinc/22/36/26/1175223626.db2.gz ZPSFMAIFRBSQBA-NVXWUHKLSA-N 2 0 309.454 0.990 20 30 DCEDRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC#CCOC)[C@@H](C)C1 ZINC001673924012 1175241522 /nfs/dbraw/zinc/24/15/22/1175241522.db2.gz SXKPJRWCSOJRHK-HOTGVXAUSA-N 2 0 309.454 0.805 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001674771906 1175298334 /nfs/dbraw/zinc/29/83/34/1175298334.db2.gz CLOWMXCENTWWOA-HUUCEWRRSA-N 2 0 322.453 0.095 20 30 DCEDRP C#CC[N@H+](C)CCOCCNC(=O)[C@H]1CCn2cncc2C1 ZINC001676114700 1175421503 /nfs/dbraw/zinc/42/15/03/1175421503.db2.gz OEXBVXOWTMIPGV-AWEZNQCLSA-N 2 0 304.394 0.143 20 30 DCEDRP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001676584409 1175464550 /nfs/dbraw/zinc/46/45/50/1175464550.db2.gz WOWWXGMTOJNNFS-BBRMVZONSA-N 2 0 315.433 0.842 20 30 DCEDRP C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001677511401 1175572847 /nfs/dbraw/zinc/57/28/47/1175572847.db2.gz RMGATQVJSICANG-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001689083577 1176692992 /nfs/dbraw/zinc/69/29/92/1176692992.db2.gz MRGDGXWCDPICTJ-IXDOHACOSA-N 2 0 321.465 0.947 20 30 DCEDRP C=C(C)CC[NH+]1CCN(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001690080723 1177164621 /nfs/dbraw/zinc/16/46/21/1177164621.db2.gz GURVZWNMQFWEPK-UHFFFAOYSA-N 2 0 308.470 0.782 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001690376938 1177227933 /nfs/dbraw/zinc/22/79/33/1177227933.db2.gz RDUDKPVJZJCFRM-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@@H](C)CNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001690584854 1177275936 /nfs/dbraw/zinc/27/59/36/1177275936.db2.gz UTWUJJRFOMSBOT-ZFWWWQNUSA-N 2 0 322.453 0.352 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC#CCOC)CC[N@@H+]1C ZINC001698730015 1177620266 /nfs/dbraw/zinc/62/02/66/1177620266.db2.gz PUOFUYDTIMBNOW-IXDOHACOSA-N 2 0 321.465 0.947 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001698829226 1177684539 /nfs/dbraw/zinc/68/45/39/1177684539.db2.gz OWCMUGJVBYZUFG-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C)C1=O ZINC001699366755 1178103291 /nfs/dbraw/zinc/10/32/91/1178103291.db2.gz CAOUCCMQLZQXRR-HZSPNIEDSA-N 2 0 310.442 0.208 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001699590856 1178208024 /nfs/dbraw/zinc/20/80/24/1178208024.db2.gz WWLSHNXODIWGRX-HOCLYGCPSA-N 2 0 307.438 0.462 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001699702177 1178256845 /nfs/dbraw/zinc/25/68/45/1178256845.db2.gz SJKXANVOYHBLLD-GOSISDBHSA-N 2 0 321.465 0.902 20 30 DCEDRP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)CCC[NH+](C)C)C2)CC1 ZINC001699776630 1178284838 /nfs/dbraw/zinc/28/48/38/1178284838.db2.gz STACWYCJEAQTIT-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001700203873 1178529965 /nfs/dbraw/zinc/52/99/65/1178529965.db2.gz VDBMLSODSLRKIR-GJZGRUSLSA-N 2 0 324.469 0.600 20 30 DCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001700233097 1178543119 /nfs/dbraw/zinc/54/31/19/1178543119.db2.gz MXUBDHITBUQUQF-AEFFLSMTSA-N 2 0 321.465 0.826 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001700241688 1178549490 /nfs/dbraw/zinc/54/94/90/1178549490.db2.gz IXMUKPACUFENBN-SFHVURJKSA-N 2 0 321.465 0.829 20 30 DCEDRP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001700243702 1178551408 /nfs/dbraw/zinc/55/14/08/1178551408.db2.gz XKPOQAKHWRRJJX-NVXWUHKLSA-N 2 0 309.454 0.847 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC#CC)[C@@H](C)C2)CC1 ZINC001700275994 1178563800 /nfs/dbraw/zinc/56/38/00/1178563800.db2.gz FNHWGYLACHCZIW-RDJZCZTQSA-N 2 0 301.434 0.791 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001700301390 1178572582 /nfs/dbraw/zinc/57/25/82/1178572582.db2.gz MPLKPSHJQCDXGH-HNNXBMFYSA-N 2 0 307.438 0.437 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001700358581 1178595487 /nfs/dbraw/zinc/59/54/87/1178595487.db2.gz YFRQBXPYHLWXDH-HUUCEWRRSA-N 2 0 324.469 0.552 20 30 DCEDRP C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001700610715 1178678861 /nfs/dbraw/zinc/67/88/61/1178678861.db2.gz NIUUYTSSYMJGOY-HZPDHXFCSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C1CC[NH+](CC#C)CC1 ZINC001700735781 1178725600 /nfs/dbraw/zinc/72/56/00/1178725600.db2.gz IXFKJGGYCGRRDA-QGZVFWFLSA-N 2 0 301.434 0.791 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001700848370 1178776614 /nfs/dbraw/zinc/77/66/14/1178776614.db2.gz DSTNKLUGSGKOMX-KGLIPLIRSA-N 2 0 310.442 0.209 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001700939789 1178816567 /nfs/dbraw/zinc/81/65/67/1178816567.db2.gz URBHPCFLRDJGPQ-IAGOWNOFSA-N 2 0 321.465 0.826 20 30 DCEDRP COCC#CCN1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001707057877 1180404934 /nfs/dbraw/zinc/40/49/34/1180404934.db2.gz ZMKBQPDVEIENIK-HNNXBMFYSA-N 2 0 305.422 0.265 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001713077034 1180669367 /nfs/dbraw/zinc/66/93/67/1180669367.db2.gz NXHQSBAARRZJOW-KRWDZBQOSA-N 2 0 320.481 0.618 20 30 DCEDRP C=CCC[NH+]1CCN(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001713077516 1180670459 /nfs/dbraw/zinc/67/04/59/1180670459.db2.gz HVPVYWJOPDHNNY-UHFFFAOYSA-N 2 0 306.454 0.392 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713351414 1180781419 /nfs/dbraw/zinc/78/14/19/1180781419.db2.gz DUZCTYDSQGBXBH-CQSZACIVSA-N 2 0 322.453 0.069 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+][C@H](C)COC)C2)CC1 ZINC001713363877 1180785949 /nfs/dbraw/zinc/78/59/49/1180785949.db2.gz DVEZRFIXVMTZKB-CVEARBPZSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)C2([NH+](C)C)CCC2)C1=O ZINC001713600788 1180957506 /nfs/dbraw/zinc/95/75/06/1180957506.db2.gz ZEQCEGQPQMCGLG-AWEZNQCLSA-N 2 0 322.453 0.306 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001713987779 1181186132 /nfs/dbraw/zinc/18/61/32/1181186132.db2.gz BBJOBSGECYEXGD-OWCLPIDISA-N 2 0 307.438 0.747 20 30 DCEDRP C#CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001714196342 1181277375 /nfs/dbraw/zinc/27/73/75/1181277375.db2.gz FCDDANIAUOSWAX-NRXISQOPSA-N 2 0 322.453 0.093 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001714542151 1181408154 /nfs/dbraw/zinc/40/81/54/1181408154.db2.gz QTDCGBVGLIVCGS-DLBZAZTESA-N 2 0 321.465 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+][C@H](C)COC)CC1 ZINC001715085236 1181683788 /nfs/dbraw/zinc/68/37/88/1181683788.db2.gz KVWVBKLJMVYMRG-ZBFHGGJFSA-N 2 0 309.454 0.851 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CCCC1 ZINC001715310535 1181768361 /nfs/dbraw/zinc/76/83/61/1181768361.db2.gz ORDWYWWKWCKIQR-INIZCTEOSA-N 2 0 321.465 0.997 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001715323946 1181772515 /nfs/dbraw/zinc/77/25/15/1181772515.db2.gz SOODHCVJIWXOQO-JKSUJKDBSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C 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BQVSEGLJJKOSPC-OAHLLOKOSA-N 2 0 324.469 0.601 20 30 DCEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001717918383 1183059709 /nfs/dbraw/zinc/05/97/09/1183059709.db2.gz KQNHBZVYEIMGHP-HOTGVXAUSA-N 2 0 307.438 0.436 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001723517119 1184322648 /nfs/dbraw/zinc/32/26/48/1184322648.db2.gz FZJFMLYQQQAMJQ-OAHLLOKOSA-N 2 0 305.422 0.216 20 30 DCEDRP COCC#CC[N@H+]1C[C@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001724628063 1184479315 /nfs/dbraw/zinc/47/93/15/1184479315.db2.gz ZSIOZRXSWZAZFL-ZACQAIPSSA-N 2 0 319.449 0.368 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001724740370 1184541563 /nfs/dbraw/zinc/54/15/63/1184541563.db2.gz VSJXUZWGAFZLAB-HNNXBMFYSA-N 2 0 322.453 0.213 20 30 DCEDRP CC#CC[N@H+](C)CCCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001724862084 1184595524 /nfs/dbraw/zinc/59/55/24/1184595524.db2.gz YYKLHOQHFZAGTI-INIZCTEOSA-N 2 0 309.454 0.758 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001724957278 1184634493 /nfs/dbraw/zinc/63/44/93/1184634493.db2.gz UNVDFUUULVTUBO-CQSZACIVSA-N 2 0 324.469 0.600 20 30 DCEDRP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CC#CCOC)C[C@H]21 ZINC001725314789 1184765790 /nfs/dbraw/zinc/76/57/90/1184765790.db2.gz FUKBYWOZAPEYKJ-PHZGNYQRSA-N 2 0 307.438 0.272 20 30 DCEDRP CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001725580276 1184896039 /nfs/dbraw/zinc/89/60/39/1184896039.db2.gz IPOOCFXLACMZRM-HUUCEWRRSA-N 2 0 307.438 0.700 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001725612321 1184911408 /nfs/dbraw/zinc/91/14/08/1184911408.db2.gz VHIZOAUNICTGNB-WBVHZDCISA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001731433170 1185330419 /nfs/dbraw/zinc/33/04/19/1185330419.db2.gz HPPNXTXSAIOFGQ-HOTGVXAUSA-N 2 0 307.438 0.721 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001731445480 1185337092 /nfs/dbraw/zinc/33/70/92/1185337092.db2.gz OAXJSTFACLNJAA-MGPQQGTHSA-N 2 0 322.453 0.398 20 30 DCEDRP COCC#CC[NH2+][C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001731603082 1185408366 /nfs/dbraw/zinc/40/83/66/1185408366.db2.gz YJIRICFAJKQPOT-OAHLLOKOSA-N 2 0 307.438 0.607 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001731624154 1185417177 /nfs/dbraw/zinc/41/71/77/1185417177.db2.gz SMPWYMOMALPELR-GJZGRUSLSA-N 2 0 324.469 0.647 20 30 DCEDRP C#CCC[N@@H+](CCNC(=O)C1CC[NH+](CC#C)CC1)C1CC1 ZINC001731884080 1185547520 /nfs/dbraw/zinc/54/75/20/1185547520.db2.gz SBMKFEFMXJLYGA-UHFFFAOYSA-N 2 0 301.434 0.936 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCC2CC[NH+](CCO)CC2)CC1 ZINC001732325161 1185767051 /nfs/dbraw/zinc/76/70/51/1185767051.db2.gz QLZZCBMLKNRKQV-UHFFFAOYSA-N 2 0 321.465 0.542 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CC[C@@H](C)NC(=O)C[NH+]2CCCC2)C1=O ZINC001732755338 1185950981 /nfs/dbraw/zinc/95/09/81/1185950981.db2.gz XSRQXFQUEFALKN-CABCVRRESA-N 2 0 322.453 0.354 20 30 DCEDRP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001733495171 1186303851 /nfs/dbraw/zinc/30/38/51/1186303851.db2.gz MPXJEDVYXPGKAS-GOSISDBHSA-N 2 0 321.465 0.683 20 30 DCEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001733614797 1186368948 /nfs/dbraw/zinc/36/89/48/1186368948.db2.gz BYVSXIXOPYEEBK-INIZCTEOSA-N 2 0 321.465 0.685 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001733751921 1186431446 /nfs/dbraw/zinc/43/14/46/1186431446.db2.gz PCJNZLIBKCQEEO-INIZCTEOSA-N 2 0 307.438 0.703 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001733886538 1186486774 /nfs/dbraw/zinc/48/67/74/1186486774.db2.gz CPDNGIVNPPQTSR-UHFFFAOYSA-N 2 0 307.438 0.295 20 30 DCEDRP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001734307493 1186610435 /nfs/dbraw/zinc/61/04/35/1186610435.db2.gz BBSUKJIXEXXNEV-DOTOQJQBSA-N 2 0 321.465 0.805 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C)C1=O ZINC001734355984 1186621777 /nfs/dbraw/zinc/62/17/77/1186621777.db2.gz IMMUEMPICMOKTI-CABCVRRESA-N 2 0 324.469 0.550 20 30 DCEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001734371414 1186629746 /nfs/dbraw/zinc/62/97/46/1186629746.db2.gz LMXBBBSHZIISKK-OAHLLOKOSA-N 2 0 309.454 0.589 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C(F)(F)F ZINC001734512040 1186669154 /nfs/dbraw/zinc/66/91/54/1186669154.db2.gz VEJVWYLUDWJCDG-NEPJUHHUSA-N 2 0 305.344 0.798 20 30 DCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C(F)(F)F ZINC001734512042 1186669194 /nfs/dbraw/zinc/66/91/94/1186669194.db2.gz VEJVWYLUDWJCDG-RYUDHWBXSA-N 2 0 305.344 0.798 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001753331889 1186979937 /nfs/dbraw/zinc/97/99/37/1186979937.db2.gz CNDVAMMUFOHFEM-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001752605013 1188428594 /nfs/dbraw/zinc/42/85/94/1188428594.db2.gz LZQRAWOIGGNUKB-HIFRSBDPSA-N 2 0 322.453 0.209 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001752810784 1188444294 /nfs/dbraw/zinc/44/42/94/1188444294.db2.gz YJENUADQPRSKCJ-INIZCTEOSA-N 2 0 319.449 0.560 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001752813032 1188444523 /nfs/dbraw/zinc/44/45/23/1188444523.db2.gz VWBRONLQMIWMJE-IRXDYDNUSA-N 2 0 321.465 0.806 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001752962970 1188468806 /nfs/dbraw/zinc/46/88/06/1188468806.db2.gz JYTJVROMOFUHJX-QGZVFWFLSA-N 2 0 321.465 0.950 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2ccccn2)CC1 ZINC001753265809 1188553893 /nfs/dbraw/zinc/55/38/93/1188553893.db2.gz PIKTZBMZXAJMHE-UHFFFAOYSA-N 2 0 314.433 0.975 20 30 DCEDRP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC#CCOC ZINC001753481786 1188607167 /nfs/dbraw/zinc/60/71/67/1188607167.db2.gz YIOCTWQIJBBGEU-OAHLLOKOSA-N 2 0 309.454 0.995 20 30 DCEDRP C#CC[NH2+]C[C@@](C)(NC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001753525725 1188614730 /nfs/dbraw/zinc/61/47/30/1188614730.db2.gz GWMOQAZETCAPQY-QGZVFWFLSA-N 2 0 307.438 0.605 20 30 DCEDRP COCC#CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001754985063 1188987466 /nfs/dbraw/zinc/98/74/66/1188987466.db2.gz HEXJSMMELFKMJH-UHFFFAOYSA-N 2 0 307.438 0.607 20 30 DCEDRP C#CC[NH2+]CC1(NC(=O)[C@H](CC)[NH+](CC)CC)CCOCC1 ZINC001755099280 1189023191 /nfs/dbraw/zinc/02/31/91/1189023191.db2.gz XWJAXNRUUHEHGT-HNNXBMFYSA-N 2 0 309.454 0.995 20 30 DCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC#CCOC)C1 ZINC001755212059 1189056467 /nfs/dbraw/zinc/05/64/67/1189056467.db2.gz BUWMCNHISYBWBY-JCYILVPMSA-N 2 0 321.465 0.995 20 30 DCEDRP CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001755637303 1189169640 /nfs/dbraw/zinc/16/96/40/1189169640.db2.gz XEYRVRGTFQBZJA-DOTOQJQBSA-N 2 0 321.465 0.874 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001755679947 1189183153 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C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077299680 750333292 /nfs/dbraw/zinc/33/32/92/750333292.db2.gz MZXWBKJATFFNBW-HUUCEWRRSA-N 2 0 307.438 0.742 20 30 DCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666014 751221815 /nfs/dbraw/zinc/22/18/15/751221815.db2.gz DYTPMFAAGLNERL-GVDBMIGSSA-N 2 0 321.465 0.662 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@]1(C)C[N@H+](C(C)C)CCO1 ZINC001108003144 752898000 /nfs/dbraw/zinc/89/80/00/752898000.db2.gz BNLWGRYEYPCDJM-DOTOQJQBSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001046058711 753453708 /nfs/dbraw/zinc/45/37/08/753453708.db2.gz RLUYTDYDVUIHAN-KRWDZBQOSA-N 2 0 318.465 0.180 20 30 DCEDRP C#CCC[N@H+]1CC[C@@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046325940 753646812 /nfs/dbraw/zinc/64/68/12/753646812.db2.gz FFIMERIJAAUKJY-QGZVFWFLSA-N 2 0 317.437 0.662 20 30 DCEDRP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046500715 753752170 /nfs/dbraw/zinc/75/21/70/753752170.db2.gz DAJOZJSIYNNGNZ-OGOZQZCJSA-N 2 0 305.422 0.616 20 30 DCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)[C@H](C)C1 ZINC001044872147 754220820 /nfs/dbraw/zinc/22/08/20/754220820.db2.gz OFFMRUNMCXOBOB-NVXWUHKLSA-N 2 0 301.434 0.934 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+](CC(=C)C)C[C@@H]2O)CC1 ZINC001047638170 754452299 /nfs/dbraw/zinc/45/22/99/754452299.db2.gz FFEJTZGZHLIDRQ-IRXDYDNUSA-N 2 0 319.449 0.411 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+](C(C)C)C[C@@H]2O)CC1 ZINC001047638214 754452790 /nfs/dbraw/zinc/45/27/90/754452790.db2.gz HIGVKTJDDWTOCM-HOTGVXAUSA-N 2 0 307.438 0.244 20 30 DCEDRP C#CCN1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](O)C1 ZINC001090257711 754469382 /nfs/dbraw/zinc/46/93/82/754469382.db2.gz AYCLTLPMCOXNDC-HUUCEWRRSA-N 2 0 307.438 0.436 20 30 DCEDRP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048824219 754962539 /nfs/dbraw/zinc/96/25/39/754962539.db2.gz VMLOOBFXWIMUQE-IXDOHACOSA-N 2 0 301.434 0.742 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCOC)C2)CC1 ZINC001072095569 762352912 /nfs/dbraw/zinc/35/29/12/762352912.db2.gz KPOZOMPQKVAYDK-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CCC[N@@H+]1C[C@H]2CN(C(=O)C3CC[NH+](CC#C)CC3)C[C@H]2C1 ZINC001049234867 755196433 /nfs/dbraw/zinc/19/64/33/755196433.db2.gz IXNOPAUUSWCTRM-HDICACEKSA-N 2 0 313.445 0.745 20 30 DCEDRP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)COC1CC[NH+](C)CC1 ZINC001049828264 755415469 /nfs/dbraw/zinc/41/54/69/755415469.db2.gz OAEDPPFEBSHFHN-SJORKVTESA-N 2 0 319.449 0.796 20 30 DCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081659371 756743680 /nfs/dbraw/zinc/74/36/80/756743680.db2.gz YIQULPCVQBBLTQ-OWCLPIDISA-N 2 0 307.438 0.698 20 30 DCEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081672616 756751305 /nfs/dbraw/zinc/75/13/05/756751305.db2.gz CJBGGWCVQANZNT-BZUAXINKSA-N 2 0 307.438 0.720 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@H]2OC)CC1 ZINC001082384232 757089795 /nfs/dbraw/zinc/08/97/95/757089795.db2.gz KNSZKPLXGCNNLN-IAGOWNOFSA-N 2 0 319.449 0.557 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[NH+](CCO)CC3)CC1 ZINC001050765683 758038300 /nfs/dbraw/zinc/03/83/00/758038300.db2.gz WOEBTHGDSIANAU-UHFFFAOYSA-N 2 0 319.449 0.248 20 30 DCEDRP C#CC[NH+](CCO)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001098396030 762663947 /nfs/dbraw/zinc/66/39/47/762663947.db2.gz LSJPIPBHQXUIAI-INIZCTEOSA-N 2 0 321.465 0.779 20 30 DCEDRP C#CCC[N@@H+](CCO)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001098479808 762678554 /nfs/dbraw/zinc/67/85/54/762678554.db2.gz AGXQNGKXIAXOKK-INIZCTEOSA-N 2 0 309.454 0.635 20 30 DCEDRP C#CC[NH+](CCO)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001098533086 762687140 /nfs/dbraw/zinc/68/71/40/762687140.db2.gz RQHTZLFXHNZTIE-HNNXBMFYSA-N 2 0 307.438 0.247 20 30 DCEDRP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001085781851 759304540 /nfs/dbraw/zinc/30/45/40/759304540.db2.gz HALMPDDGENPJJF-HOTGVXAUSA-N 2 0 307.438 0.652 20 30 DCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001086387117 760124502 /nfs/dbraw/zinc/12/45/02/760124502.db2.gz SBUPAVHWXYKVFC-ZOBUZTSGSA-N 2 0 319.449 0.747 20 30 DCEDRP C#CCCN1CCO[C@@](C)(CNC(=O)Cn2ccnc2C)C1 ZINC001108398272 760457812 /nfs/dbraw/zinc/45/78/12/760457812.db2.gz DNEZXVWHQULEQQ-INIZCTEOSA-N 2 0 304.394 0.422 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070219973 761143130 /nfs/dbraw/zinc/14/31/30/761143130.db2.gz UZHCTHOPLFPFBG-ILXRZTDVSA-N 2 0 318.425 0.290 20 30 DCEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001090435817 761671131 /nfs/dbraw/zinc/67/11/31/761671131.db2.gz KQEPIEASQULOHT-CABCVRRESA-N 2 0 300.362 0.685 20 30 DCEDRP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@@H](C)O2 ZINC001071175337 761683722 /nfs/dbraw/zinc/68/37/22/761683722.db2.gz CKTHEBKPUDBGTB-WBVHZDCISA-N 2 0 319.449 0.796 20 30 DCEDRP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC001071241430 761732478 /nfs/dbraw/zinc/73/24/78/761732478.db2.gz UYWZRAXDPRITNK-NVXWUHKLSA-N 2 0 307.438 0.960 20 30 DCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001086970946 768106278 /nfs/dbraw/zinc/10/62/78/768106278.db2.gz OVRMDLZZLIVUJO-XHSDSOJGSA-N 2 0 315.421 0.032 20 30 DCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129983234 763071903 /nfs/dbraw/zinc/07/19/03/763071903.db2.gz SQAIRFPEKZLLHS-KGLIPLIRSA-N 2 0 318.425 0.147 20 30 DCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001090489517 763418558 /nfs/dbraw/zinc/41/85/58/763418558.db2.gz NFSFSAIMPDUQRP-CABCVRRESA-N 2 0 307.438 0.436 20 30 DCEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](O)C1 ZINC001090491124 763433416 /nfs/dbraw/zinc/43/34/16/763433416.db2.gz XMHCJPJRJXMQBN-LSDHHAIUSA-N 2 0 309.454 0.988 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100984820 763897447 /nfs/dbraw/zinc/89/74/47/763897447.db2.gz UDICOHPEXKPLMB-WLYUNCDWSA-N 2 0 322.453 0.257 20 30 DCEDRP C#CC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132406184 764442282 /nfs/dbraw/zinc/44/22/82/764442282.db2.gz FKOHOGVUMLTKQX-GJZGRUSLSA-N 2 0 307.438 0.700 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC001116973156 765940830 /nfs/dbraw/zinc/94/08/30/765940830.db2.gz ZIIUAFXXGVHHAV-CQSZACIVSA-N 2 0 322.453 0.163 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC=C)C[C@@H]2O)CC1 ZINC001090829479 766647458 /nfs/dbraw/zinc/64/74/58/766647458.db2.gz BTDBIKVFSXDSOS-HOTGVXAUSA-N 2 0 305.422 0.069 20 30 DCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001091205308 767029043 /nfs/dbraw/zinc/02/90/43/767029043.db2.gz WNNBASYUKFSIPE-SHARSMKWSA-N 2 0 300.406 0.872 20 30 DCEDRP C#CC[NH2+]C1CC(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001091277584 767077377 /nfs/dbraw/zinc/07/73/77/767077377.db2.gz XENBYXYMFRGKGO-UHFFFAOYSA-N 2 0 303.410 0.176 20 30 DCEDRP COCC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001120834666 767248137 /nfs/dbraw/zinc/24/81/37/767248137.db2.gz KYWZJAZAAFBRFO-LMBQMVEXSA-N 2 0 319.449 0.747 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCO)CC1 ZINC001146609397 767488379 /nfs/dbraw/zinc/48/83/79/767488379.db2.gz FCEOMOKXIXSKCF-HUUCEWRRSA-N 2 0 309.454 0.587 20 30 DCEDRP CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC#CCOC)C2)[NH+](C)C ZINC001121302354 767503481 /nfs/dbraw/zinc/50/34/81/767503481.db2.gz ZLDDBVXTIFHQLT-LMBQMVEXSA-N 2 0 321.465 0.993 20 30 DCEDRP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150588079 769130850 /nfs/dbraw/zinc/13/08/50/769130850.db2.gz MTPOLSZMYCGEGM-HNNXBMFYSA-N 2 0 313.442 0.348 20 30 DCEDRP C#CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001151137756 769270644 /nfs/dbraw/zinc/27/06/44/769270644.db2.gz HTHQYGSPQWSZJM-HZPDHXFCSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCOCC2CCC2)CC1 ZINC001152330676 769529698 /nfs/dbraw/zinc/52/96/98/769529698.db2.gz RVNJJDRTIIQTOQ-UHFFFAOYSA-N 2 0 321.465 0.854 20 30 DCEDRP COCC#CC[NH2+]CCNC(=O)c1ccccc1C[NH+](C)C ZINC001152393634 769546673 /nfs/dbraw/zinc/54/66/73/769546673.db2.gz RUYLIDJEZAQGIW-UHFFFAOYSA-N 2 0 303.406 0.717 20 30 DCEDRP COc1cc(C#N)ccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869709 769954033 /nfs/dbraw/zinc/95/40/33/769954033.db2.gz FQAUCGJIJXXLMW-UHFFFAOYSA-N 2 0 317.437 0.151 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176022556 770003202 /nfs/dbraw/zinc/00/32/02/770003202.db2.gz BQFDLBIXHVRVJC-OAHLLOKOSA-N 2 0 324.469 0.342 20 30 DCEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)CCCC[NH+]1CCCC1 ZINC001177330555 770410025 /nfs/dbraw/zinc/41/00/25/770410025.db2.gz DFDRBUGHWRBRGI-UHFFFAOYSA-N 2 0 322.453 0.098 20 30 DCEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001156907918 770962254 /nfs/dbraw/zinc/96/22/54/770962254.db2.gz LQLIYSWENGTSQJ-HZPDHXFCSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001180265537 771089463 /nfs/dbraw/zinc/08/94/63/771089463.db2.gz UVHXNVWHSXCMRX-MRXNPFEDSA-N 2 0 309.454 0.854 20 30 DCEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001180278222 771094791 /nfs/dbraw/zinc/09/47/91/771094791.db2.gz BCYNLXGXHOMQJD-INIZCTEOSA-N 2 0 309.454 0.854 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCCCCCC[NH2+]CCO)CC1 ZINC001180360265 771104357 /nfs/dbraw/zinc/10/43/57/771104357.db2.gz APWPOLUOCRENMY-UHFFFAOYSA-N 2 0 309.454 0.590 20 30 DCEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180613947 771141654 /nfs/dbraw/zinc/14/16/54/771141654.db2.gz YKKDFQYEEWSYIV-HNNXBMFYSA-N 2 0 322.453 0.340 20 30 DCEDRP COCC#CC[NH2+]C[C@]1(C)CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001182479896 771496714 /nfs/dbraw/zinc/49/67/14/771496714.db2.gz JSECEKZCVYAPEV-NVXWUHKLSA-N 2 0 309.454 0.662 20 30 DCEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001182670098 771525726 /nfs/dbraw/zinc/52/57/26/771525726.db2.gz JYUHTBPMLPIUOE-CQSZACIVSA-N 2 0 305.426 0.825 20 30 DCEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158092733 771724875 /nfs/dbraw/zinc/72/48/75/771724875.db2.gz PYSFDZRIKORFJR-BBRMVZONSA-N 2 0 308.426 0.141 20 30 DCEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001184425857 771787349 /nfs/dbraw/zinc/78/73/49/771787349.db2.gz ZONUEXRUHZPKQM-GYMHETDLSA-N 2 0 305.422 0.616 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106171 772273761 /nfs/dbraw/zinc/27/37/61/772273761.db2.gz BQIDYDZQAMVZBM-MRXNPFEDSA-N 2 0 307.438 0.703 20 30 DCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001190221640 772602713 /nfs/dbraw/zinc/60/27/13/772602713.db2.gz IOIBBSGXBFPMGO-OAHLLOKOSA-N 2 0 317.437 0.614 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190646122 772657718 /nfs/dbraw/zinc/65/77/18/772657718.db2.gz XKGGTKSDCRILOK-OAHLLOKOSA-N 2 0 307.438 0.653 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165270848 772713591 /nfs/dbraw/zinc/71/35/91/772713591.db2.gz HZRYZFJDYHCZHB-CYBMUJFWSA-N 2 0 310.442 0.115 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CCCOC)CC2)CC1 ZINC001203870303 772927858 /nfs/dbraw/zinc/92/78/58/772927858.db2.gz YQXXIMZNPFMCDY-UHFFFAOYSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001203925893 772929902 /nfs/dbraw/zinc/92/99/02/772929902.db2.gz YGALAUMEBAAWNV-UHFFFAOYSA-N 2 0 310.442 0.209 20 30 DCEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193765568 773113147 /nfs/dbraw/zinc/11/31/47/773113147.db2.gz BZXFTZDIXIJVRZ-RRFJBIMHSA-N 2 0 309.454 0.987 20 30 DCEDRP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001193902427 773127029 /nfs/dbraw/zinc/12/70/29/773127029.db2.gz RPKKJIIVYMUBGM-ARFHVFGLSA-N 2 0 309.454 0.988 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194041317 773143921 /nfs/dbraw/zinc/14/39/21/773143921.db2.gz XDHVCFBXEDLOKB-LSDHHAIUSA-N 2 0 322.453 0.306 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208063828 773391242 /nfs/dbraw/zinc/39/12/42/773391242.db2.gz WUMMBQVZOGJAHT-DLBZAZTESA-N 2 0 319.449 0.559 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001208337500 773437135 /nfs/dbraw/zinc/43/71/35/773437135.db2.gz LAGYIKGYAVPSFT-AWEZNQCLSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001208372795 773445287 /nfs/dbraw/zinc/44/52/87/773445287.db2.gz CPFINWUVBAMURT-ZBFHGGJFSA-N 2 0 324.469 0.455 20 30 DCEDRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CC#CCOC)C1 ZINC001208453124 773465118 /nfs/dbraw/zinc/46/51/18/773465118.db2.gz BAMHGQYWMQIVAJ-OAHLLOKOSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001196498204 773610877 /nfs/dbraw/zinc/61/08/77/773610877.db2.gz CZLYAUWYMRSEFV-RRFJBIMHSA-N 2 0 322.409 0.198 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210217712 773686408 /nfs/dbraw/zinc/68/64/08/773686408.db2.gz LSJBYJLFWDPVQG-GJZGRUSLSA-N 2 0 324.469 0.600 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2ccc(F)cn2)CC1 ZINC001152334692 773739321 /nfs/dbraw/zinc/73/93/21/773739321.db2.gz OHFJPUWGUPLXTI-UHFFFAOYSA-N 2 0 318.396 0.772 20 30 DCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211046113 773763221 /nfs/dbraw/zinc/76/32/21/773763221.db2.gz JHRQLGDAGDDSMR-OWCLPIDISA-N 2 0 307.438 0.415 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+][C@H](C)COC)C2)CC1 ZINC001211233691 773784627 /nfs/dbraw/zinc/78/46/27/773784627.db2.gz LUPXAJUKTPFOKS-WBVHZDCISA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCCC)C[C@H]2O)CC1 ZINC001199030618 774018680 /nfs/dbraw/zinc/01/86/80/774018680.db2.gz VKMDAPJILGYQCY-IAGOWNOFSA-N 2 0 321.465 0.683 20 30 DCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214968954 774029178 /nfs/dbraw/zinc/02/91/78/774029178.db2.gz FRMFTOAERJMRNA-BZUAXINKSA-N 2 0 307.438 0.557 20 30 DCEDRP N=C(c1ccccc1N)N(O)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218966199 774336756 /nfs/dbraw/zinc/33/67/56/774336756.db2.gz RJCPMQZSIFBRQU-ZDUSSCGKSA-N 2 0 317.393 0.686 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CCCO1 ZINC001200479218 774360177 /nfs/dbraw/zinc/36/01/77/774360177.db2.gz OOHHRFJNTSYSCY-HZPDHXFCSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CCCO1 ZINC001200721138 774398242 /nfs/dbraw/zinc/39/82/42/774398242.db2.gz HVTGQUOIZNOTGT-JKSUJKDBSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CCCO1 ZINC001200866799 774421751 /nfs/dbraw/zinc/42/17/51/774421751.db2.gz XVIKMDMXSFEBSZ-SJORKVTESA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001201862444 774559778 /nfs/dbraw/zinc/55/97/78/774559778.db2.gz AVUNLLVTKYDCCU-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001201862442 774559792 /nfs/dbraw/zinc/55/97/92/774559792.db2.gz AVUNLLVTKYDCCU-HOTGVXAUSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201871379 774569829 /nfs/dbraw/zinc/56/98/29/774569829.db2.gz JPUKNLAXWBUFJR-OAHLLOKOSA-N 2 0 305.422 0.313 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201871188 774570341 /nfs/dbraw/zinc/57/03/41/774570341.db2.gz HFBUJEMEQGCEBP-OAHLLOKOSA-N 2 0 305.422 0.313 20 30 DCEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC(=NC#N)c1ccncc1 ZINC001219972846 774659132 /nfs/dbraw/zinc/65/91/32/774659132.db2.gz XLHNJVBLNIUEER-ZDUSSCGKSA-N 2 0 302.382 0.485 20 30 DCEDRP C=C[C@H]1C[C@]1(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C(=O)OCC ZINC001220571302 774846951 /nfs/dbraw/zinc/84/69/51/774846951.db2.gz OFCYWRXTRFFWCG-HEHGZKQESA-N 2 0 311.426 0.670 20 30 DCEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001220868229 774940333 /nfs/dbraw/zinc/94/03/33/774940333.db2.gz FFGRVIHYPAZFME-IXDOHACOSA-N 2 0 320.481 0.827 20 30 DCEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#CCOC ZINC001229517374 776197555 /nfs/dbraw/zinc/19/75/55/776197555.db2.gz YRPPISRJEGZPMD-HZPDHXFCSA-N 2 0 309.454 0.995 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC001114831771 776198348 /nfs/dbraw/zinc/19/83/48/776198348.db2.gz FIOWSCYJENINFG-LJIGWXMPSA-N 2 0 305.422 0.167 20 30 DCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CC(C)(C)C ZINC001114841492 776221680 /nfs/dbraw/zinc/22/16/80/776221680.db2.gz XHVQJBJUKYJMLR-QLPKVWCKSA-N 2 0 321.465 0.661 20 30 DCEDRP COCC#CC[NH+]1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230034656 776245581 /nfs/dbraw/zinc/24/55/81/776245581.db2.gz LCCOSWSMWXZJKT-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001114852997 776253071 /nfs/dbraw/zinc/25/30/71/776253071.db2.gz WMIFPMUDIWMDDZ-LJIGWXMPSA-N 2 0 305.422 0.167 20 30 DCEDRP C#CCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CCOC)CC1 ZINC001278200586 945177438 /nfs/dbraw/zinc/17/74/38/945177438.db2.gz NMZWGHKTNIXGIC-UHFFFAOYSA-N 2 0 307.438 0.655 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1=O ZINC001266743589 939225952 /nfs/dbraw/zinc/22/59/52/939225952.db2.gz JRUMLKKPEUNULH-CABCVRRESA-N 2 0 322.453 0.306 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001267050960 939324447 /nfs/dbraw/zinc/32/44/47/939324447.db2.gz YGAZDLKLIWPEQI-CQSZACIVSA-N 2 0 309.373 0.952 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001267071867 939331323 /nfs/dbraw/zinc/33/13/23/939331323.db2.gz YAROONVYSPQNBL-AWEZNQCLSA-N 2 0 310.442 0.067 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCOCC ZINC001267269473 939410553 /nfs/dbraw/zinc/41/05/53/939410553.db2.gz OBZGPEOEXRSCKZ-HOTGVXAUSA-N 2 0 307.438 0.701 20 30 DCEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001481069879 939547847 /nfs/dbraw/zinc/54/78/47/939547847.db2.gz CGENZOIDJPEXQZ-HZPDHXFCSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001481506790 939906476 /nfs/dbraw/zinc/90/64/76/939906476.db2.gz KWAPCLYTSHTVDW-CVEARBPZSA-N 2 0 307.438 0.368 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)CCOCC)CC1 ZINC001268259652 940009101 /nfs/dbraw/zinc/00/91/01/940009101.db2.gz OAAQCZAAGRANGP-UHFFFAOYSA-N 2 0 309.454 0.758 20 30 DCEDRP CC[C@@H](C(=O)N[C@](C)(C[NH2+]CC#CCOC)C1CC1)[NH+](C)C ZINC001481943032 940191646 /nfs/dbraw/zinc/19/16/46/940191646.db2.gz YTXCMGSBNTZNGY-DOTOQJQBSA-N 2 0 309.454 0.851 20 30 DCEDRP C=CCN1C[C@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001273144225 945324295 /nfs/dbraw/zinc/32/42/95/945324295.db2.gz OLLZGZUOGWDCDR-NVXWUHKLSA-N 2 0 307.438 0.818 20 30 DCEDRP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001284519526 940715898 /nfs/dbraw/zinc/71/58/98/940715898.db2.gz KCDCMVCHHDWHBD-MRXNPFEDSA-N 2 0 309.454 0.637 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001270625023 940945085 /nfs/dbraw/zinc/94/50/85/940945085.db2.gz UUAFBQNSFABUAI-KRWDZBQOSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001482691255 941625910 /nfs/dbraw/zinc/62/59/10/941625910.db2.gz BSABBBAMFVZTLE-HOCLYGCPSA-N 2 0 307.438 0.605 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001483278341 942231008 /nfs/dbraw/zinc/23/10/08/942231008.db2.gz AZJRCKDLAHYZOR-GJZGRUSLSA-N 2 0 324.469 0.503 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001483444276 942361365 /nfs/dbraw/zinc/36/13/65/942361365.db2.gz SFTSXVVFVWOOAY-WBVHZDCISA-N 2 0 321.465 0.995 20 30 DCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001272381138 942726627 /nfs/dbraw/zinc/72/66/27/942726627.db2.gz QJQVSERFKXAXGB-DLBZAZTESA-N 2 0 315.417 0.199 20 30 DCEDRP C#CCC[NH2+]C1(CNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001483734537 942782470 /nfs/dbraw/zinc/78/24/70/942782470.db2.gz CIKXQIONSWITLB-UHFFFAOYSA-N 2 0 303.410 0.320 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@](C)(C[NH2+]CCCO)C2)CC1 ZINC001484124032 943157004 /nfs/dbraw/zinc/15/70/04/943157004.db2.gz FCVNTOGYXNJAFD-SFHVURJKSA-N 2 0 321.465 0.542 20 30 DCEDRP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001484242115 943246733 /nfs/dbraw/zinc/24/67/33/943246733.db2.gz TXHUWNHGHBHICN-QGZVFWFLSA-N 2 0 307.438 0.295 20 30 DCEDRP COCC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001484347077 943330472 /nfs/dbraw/zinc/33/04/72/943330472.db2.gz MFEUWQZCGHZFFY-HOTGVXAUSA-N 2 0 309.454 0.805 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001484983307 943643910 /nfs/dbraw/zinc/64/39/10/943643910.db2.gz VRXGRWQUFVZOOR-HOTGVXAUSA-N 2 0 319.449 0.701 20 30 DCEDRP C=CCNC(=O)CN(C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001485066183 943674951 /nfs/dbraw/zinc/67/49/51/943674951.db2.gz UOSJZSNHBCEATP-HUUCEWRRSA-N 2 0 322.453 0.306 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001491186730 943814352 /nfs/dbraw/zinc/81/43/52/943814352.db2.gz ZUKDKMMRYIBPOL-HNNXBMFYSA-N 2 0 322.453 0.213 20 30 DCEDRP C=CCN1CC[C@H]([N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001485346812 943862249 /nfs/dbraw/zinc/86/22/49/943862249.db2.gz XWNXTWFSZYAWEZ-KGLIPLIRSA-N 2 0 310.442 0.162 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001485672101 944070625 /nfs/dbraw/zinc/07/06/25/944070625.db2.gz DMZMPMVOEBTERS-INIZCTEOSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001272772026 944220023 /nfs/dbraw/zinc/22/00/23/944220023.db2.gz CHGPOWVLDWNCJO-JKSUJKDBSA-N 2 0 309.454 0.993 20 30 DCEDRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC#Cc2ccccc2)C1 ZINC001486060876 944521806 /nfs/dbraw/zinc/52/18/06/944521806.db2.gz CLHPKRJOWIHVGT-SJORKVTESA-N 2 0 315.417 0.057 20 30 DCEDRP COCC#CCN1CCC[C@@H](NC(=O)Cn2cncc2C)[C@H]1C ZINC001486175444 944622204 /nfs/dbraw/zinc/62/22/04/944622204.db2.gz DMINIKFSEJTDRE-HZPDHXFCSA-N 2 0 318.421 0.810 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CCOC)C2CC2)CC1 ZINC001317035205 944752755 /nfs/dbraw/zinc/75/27/55/944752755.db2.gz RCMHMUCHXSEJDN-MRXNPFEDSA-N 2 0 307.438 0.462 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[NH2+]CCC=C)CC1 ZINC001486317430 944761906 /nfs/dbraw/zinc/76/19/06/944761906.db2.gz IMIBZTMUOZVBMV-INIZCTEOSA-N 2 0 307.438 0.317 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317060787 944766713 /nfs/dbraw/zinc/76/67/13/944766713.db2.gz MQGJIYQCJZLUTD-INIZCTEOSA-N 2 0 319.449 0.703 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001281459098 944814277 /nfs/dbraw/zinc/81/42/77/944814277.db2.gz SYZGEWNGVHSJOH-UONOGXRCSA-N 2 0 310.442 0.067 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001277423022 944815302 /nfs/dbraw/zinc/81/53/02/944815302.db2.gz LDYCBQWXSPYAOE-CQSZACIVSA-N 2 0 324.469 0.552 20 30 DCEDRP N#C[C@@H]1C[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CCN1 ZINC001246518824 945424840 /nfs/dbraw/zinc/42/48/40/945424840.db2.gz JWIZEBSZZHGCTA-KKUMJFAQSA-N 2 0 307.442 0.340 20 30 DCEDRP COCC#CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001319020415 945482657 /nfs/dbraw/zinc/48/26/57/945482657.db2.gz ZXPAEVIDHPAUQK-KRWDZBQOSA-N 2 0 321.465 0.949 20 30 DCEDRP CC1(C#N)CCC([N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001246927279 945519500 /nfs/dbraw/zinc/51/95/00/945519500.db2.gz YCWCUZLDGIUJRV-UHFFFAOYSA-N 3 0 309.458 0.575 20 30 DCEDRP C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001247003092 945539593 /nfs/dbraw/zinc/53/95/93/945539593.db2.gz NGPGMIMLRNYPRT-ZIAGYGMSSA-N 2 0 308.426 0.457 20 30 DCEDRP CC#CC[NH2+][C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC001319958277 945704274 /nfs/dbraw/zinc/70/42/74/945704274.db2.gz PHSGEQYNZBKDJW-JKSUJKDBSA-N 2 0 309.454 0.708 20 30 DCEDRP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001320516411 945906318 /nfs/dbraw/zinc/90/63/18/945906318.db2.gz HYZHBIUDYVFAEU-AWEZNQCLSA-N 2 0 322.453 0.095 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+]C[C@@H](C)OC)CC1 ZINC001321418181 946322179 /nfs/dbraw/zinc/32/21/79/946322179.db2.gz XTGZBMQLJXBUFI-IYKSTZQJSA-N 2 0 307.438 0.629 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCC(C)(C)C ZINC001278768285 946331877 /nfs/dbraw/zinc/33/18/77/946331877.db2.gz SUMLZBXIDATOOE-HOTGVXAUSA-N 2 0 323.481 0.929 20 30 DCEDRP COCC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001278946081 946642180 /nfs/dbraw/zinc/64/21/80/946642180.db2.gz UISOIYDPVMJWOG-CABCVRRESA-N 2 0 309.454 0.851 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC001256585617 946647396 /nfs/dbraw/zinc/64/73/96/946647396.db2.gz UCQQVGOZMUVMDW-UHFFFAOYSA-N 2 0 322.453 0.305 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]CCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001322831655 946825679 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DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001273929705 948686462 /nfs/dbraw/zinc/68/64/62/948686462.db2.gz NAHACFBWQHRCHT-KRWDZBQOSA-N 2 0 307.438 0.295 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001263857019 948784555 /nfs/dbraw/zinc/78/45/55/948784555.db2.gz JDJMPWLAPSQVQA-AJNGGQMLSA-N 2 0 322.453 0.256 20 30 DCEDRP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001264078842 948862842 /nfs/dbraw/zinc/86/28/42/948862842.db2.gz SDHCAFRADPTOPU-HOTGVXAUSA-N 2 0 307.438 0.247 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001264391239 948954661 /nfs/dbraw/zinc/95/46/61/948954661.db2.gz QBYLCQYUNJRJKI-BBWFWOEESA-N 2 0 321.465 0.993 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CCOCC)C2)CC1 ZINC001264440884 948976806 /nfs/dbraw/zinc/97/68/06/948976806.db2.gz QLQANLBOWDTYGF-JCNLHEQBSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001264631829 949037842 /nfs/dbraw/zinc/03/78/42/949037842.db2.gz CBYPWPGXDZOOJD-IAGOWNOFSA-N 2 0 321.465 0.779 20 30 DCEDRP C=CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001264633077 949037957 /nfs/dbraw/zinc/03/79/57/949037957.db2.gz VARQYXACFVTPKK-HOTGVXAUSA-N 2 0 309.454 0.942 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001488804666 949198302 /nfs/dbraw/zinc/19/83/02/949198302.db2.gz MLQPYAHHGYRDMS-WNKDZCFJSA-N 2 0 321.465 0.993 20 30 DCEDRP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H](CC)[NH+](C)C)n1 ZINC001489077011 949467347 /nfs/dbraw/zinc/46/73/47/949467347.db2.gz WUVYUDMSVQTERM-GFCCVEGCSA-N 2 0 307.398 0.414 20 30 DCEDRP CC#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H](CC)[NH+](C)C)n1 ZINC001489077861 949469476 /nfs/dbraw/zinc/46/94/76/949469476.db2.gz JKKVIRCYSCSXDJ-ZDUSSCGKSA-N 2 0 319.409 0.252 20 30 DCEDRP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cc2cncn2C)C1 ZINC001489173208 949531264 /nfs/dbraw/zinc/53/12/64/949531264.db2.gz JJMIQNJULSKQCE-CQSZACIVSA-N 2 0 306.410 0.434 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001329473978 949622484 /nfs/dbraw/zinc/62/24/84/949622484.db2.gz GHSAJCYHDDSAQM-LSDHHAIUSA-N 2 0 318.421 0.532 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)COC)CC1 ZINC001329625147 949726481 /nfs/dbraw/zinc/72/64/81/949726481.db2.gz VBOVMYQURCNUAR-CABCVRRESA-N 2 0 309.454 0.803 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001265930574 950159148 /nfs/dbraw/zinc/15/91/48/950159148.db2.gz DNCKPTKRVKTWDJ-HNNXBMFYSA-N 2 0 309.454 0.805 20 30 DCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001330608625 950542917 /nfs/dbraw/zinc/54/29/17/950542917.db2.gz SEOJKUQJKMEDOX-CABCVRRESA-N 2 0 308.426 0.625 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCCN1CCC([NH2+]CCF)CC1 ZINC001279431679 950569010 /nfs/dbraw/zinc/56/90/10/950569010.db2.gz QRXKCZMKNBOCOT-INIZCTEOSA-N 2 0 324.444 0.224 20 30 DCEDRP CC#CCN1CC[NH+](CCCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001490475317 950715232 /nfs/dbraw/zinc/71/52/32/950715232.db2.gz NPHBUJJOBZXTKF-UHFFFAOYSA-N 2 0 318.465 0.229 20 30 DCEDRP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001330910491 950754425 /nfs/dbraw/zinc/75/44/25/950754425.db2.gz KLMBYOQRWXQSHB-OAHLLOKOSA-N 2 0 309.454 0.853 20 30 DCEDRP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001280152951 950778519 /nfs/dbraw/zinc/77/85/19/950778519.db2.gz OTUBYXUUEASMSA-JKSUJKDBSA-N 2 0 307.438 0.559 20 30 DCEDRP CC#CC[NH2+]CC1(NC(=O)CC[N@@H+](C)CCC)CCOCC1 ZINC001274014257 951327268 /nfs/dbraw/zinc/32/72/68/951327268.db2.gz MXGHYRFZMABFRP-UHFFFAOYSA-N 2 0 309.454 0.997 20 30 DCEDRP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](CCCCC#N)C2 ZINC001274043238 951357602 /nfs/dbraw/zinc/35/76/02/951357602.db2.gz NZJCWJGAVBJCAL-QGZVFWFLSA-N 2 0 322.453 0.793 20 30 DCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC#CCOC ZINC001274075655 951402868 /nfs/dbraw/zinc/40/28/68/951402868.db2.gz FPVTYGSLEFDIMY-DWTRPJMMSA-N 2 0 307.438 0.773 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001274250646 951516107 /nfs/dbraw/zinc/51/61/07/951516107.db2.gz JEMHMJNDWMTDGB-ZBFHGGJFSA-N 2 0 307.438 0.415 20 30 DCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001281618486 951563991 /nfs/dbraw/zinc/56/39/91/951563991.db2.gz MSHFMVVZDDVREB-HNNXBMFYSA-N 2 0 309.454 0.539 20 30 DCEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001274619744 951743753 /nfs/dbraw/zinc/74/37/53/951743753.db2.gz CJVNOPFRPYSRFP-RDJZCZTQSA-N 2 0 309.454 0.942 20 30 DCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001280581561 951807629 /nfs/dbraw/zinc/80/76/29/951807629.db2.gz CLBVGZOIOSORRA-CVEARBPZSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CC#CCOC)CC1 ZINC001275039321 951940657 /nfs/dbraw/zinc/94/06/57/951940657.db2.gz RLJGTMVFKVUHIA-OAHLLOKOSA-N 2 0 305.422 0.076 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001275502771 952205123 /nfs/dbraw/zinc/20/51/23/952205123.db2.gz NYGVCAZTJVNIJU-UONOGXRCSA-N 2 0 324.469 0.503 20 30 DCEDRP C=CCN1CC[C@@H]([NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)C(C)C)C1=O ZINC001276013779 952623295 /nfs/dbraw/zinc/62/32/95/952623295.db2.gz ZPXBLQSQIWSQIA-LSDHHAIUSA-N 2 0 324.469 0.550 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001336894219 952781298 /nfs/dbraw/zinc/78/12/98/952781298.db2.gz MNJXLHFQKPOAND-RYUDHWBXSA-N 2 0 320.359 0.863 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001340921120 953203287 /nfs/dbraw/zinc/20/32/87/953203287.db2.gz QHELROCNPMKINA-VLXAULBPSA-N 2 0 309.410 0.409 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001341541942 953237124 /nfs/dbraw/zinc/23/71/24/953237124.db2.gz ZYINODXZIUFWNY-DGAVXFQQSA-N 2 0 322.409 0.064 20 30 DCEDRP C=CC[C@@]1(C(=O)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)CCC[NH2+]1 ZINC001342605234 953298071 /nfs/dbraw/zinc/29/80/71/953298071.db2.gz VOEVVTXZZYZYAN-GUYCJALGSA-N 2 0 321.421 0.486 20 30 DCEDRP [NH3+][C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[C@H]1C(F)(F)F ZINC001344733320 953521622 /nfs/dbraw/zinc/52/16/22/953521622.db2.gz UEBWIIHYSFDYMS-VXGBXAGGSA-N 2 0 303.328 0.728 20 30 DCEDRP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001282885311 953719615 /nfs/dbraw/zinc/71/96/15/953719615.db2.gz KGXZBDIXRAOXEZ-VQHPVUNQSA-N 2 0 321.465 0.825 20 30 DCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC001284323147 955011811 /nfs/dbraw/zinc/01/18/11/955011811.db2.gz KYXFRWDTWHFYNM-INIZCTEOSA-N 2 0 321.465 0.805 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001285694339 955915076 /nfs/dbraw/zinc/91/50/76/955915076.db2.gz HXXPSFNVWGREIB-CABCVRRESA-N 2 0 322.453 0.047 20 30 DCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001353548504 956098272 /nfs/dbraw/zinc/09/82/72/956098272.db2.gz JVUZKBGVLYUNAU-OAHLLOKOSA-N 2 0 324.469 0.729 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001491752044 959183468 /nfs/dbraw/zinc/18/34/68/959183468.db2.gz DJTOGHBXUVTDPH-AWEZNQCLSA-N 2 0 324.469 0.457 20 30 DCEDRP C[C@@H](CN(C)CCC[NH+](C)C)Nc1cnc(C#N)c(C#N)n1 ZINC001364226114 962709845 /nfs/dbraw/zinc/70/98/45/962709845.db2.gz DPXGFQDPVMGXTC-LBPRGKRZSA-N 2 0 301.398 0.904 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001380910528 963676127 /nfs/dbraw/zinc/67/61/27/963676127.db2.gz KNTCDVQXQNCEQE-ZDUSSCGKSA-N 2 0 313.829 0.652 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)CC[NH+]1CCCCC1 ZINC001374683957 965753491 /nfs/dbraw/zinc/75/34/91/965753491.db2.gz JZIGDMBDIXDRAG-ZDUSSCGKSA-N 2 0 303.834 0.682 20 30 DCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001502567592 1015974798 /nfs/dbraw/zinc/97/47/98/1015974798.db2.gz HPHPZCKJPGTANH-DOTOQJQBSA-N 2 0 309.454 0.988 20 30 DCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001502747531 1016054014 /nfs/dbraw/zinc/05/40/14/1016054014.db2.gz FBFBAWBLEWATIY-GOEBONIOSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001502877268 1016114069 /nfs/dbraw/zinc/11/40/69/1016114069.db2.gz ICNPNVSZFNULLR-UHFFFAOYSA-N 2 0 319.449 0.581 20 30 DCEDRP C#CC[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001503003909 1016144296 /nfs/dbraw/zinc/14/42/96/1016144296.db2.gz UFBXVABOARCHOU-GJZGRUSLSA-N 2 0 307.438 0.700 20 30 DCEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001507231216 1016154646 /nfs/dbraw/zinc/15/46/46/1016154646.db2.gz YDXPGUUGHLXTCG-WBVHZDCISA-N 2 0 321.465 0.874 20 30 DCEDRP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001505435619 1016241422 /nfs/dbraw/zinc/24/14/22/1016241422.db2.gz LDDPAHDFIAYPPO-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001402610375 1001440848 /nfs/dbraw/zinc/44/08/48/1001440848.db2.gz HZEXHOBZVUEDLU-ZDUSSCGKSA-N 2 0 303.834 0.896 20 30 DCEDRP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC001406235421 1003508527 /nfs/dbraw/zinc/50/85/27/1003508527.db2.gz CZOUQPPGOOCSTD-SMDDNHRTSA-N 2 0 324.450 0.527 20 30 DCEDRP CC#CC[N@H+](C)[C@@H](C)CNC(=O)CCCCN1CCOCC1 ZINC001506021845 1016896884 /nfs/dbraw/zinc/89/68/84/1016896884.db2.gz QFYHPVDDXXDYLZ-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC001445144604 1011455247 /nfs/dbraw/zinc/45/52/47/1011455247.db2.gz AWJNSSYIIFTWII-HOTGVXAUSA-N 2 0 316.405 0.219 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC001565383488 1012549726 /nfs/dbraw/zinc/54/97/26/1012549726.db2.gz PYQSCCYDKLCLKZ-MRXNPFEDSA-N 2 0 317.437 0.939 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479829487 1017839200 /nfs/dbraw/zinc/83/92/00/1017839200.db2.gz NLICFTNHEFQJGU-GJZGRUSLSA-N 2 0 324.469 0.600 20 30 DCEDRP COCC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001479894841 1017941718 /nfs/dbraw/zinc/94/17/18/1017941718.db2.gz GVBSLLRUYYWCPK-OAHLLOKOSA-N 2 0 307.438 0.511 20 30 DCEDRP COCC#CC[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001497219947 1017976890 /nfs/dbraw/zinc/97/68/90/1017976890.db2.gz LPDYMDHPZAEDRJ-HNNXBMFYSA-N 2 0 307.438 0.749 20 30 DCEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001499920657 1018135338 /nfs/dbraw/zinc/13/53/38/1018135338.db2.gz IQDVVFKKSHTMLQ-LSDHHAIUSA-N 2 0 322.453 0.047 20 30 DCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC#CCOC)C1 ZINC001480173401 1018283194 /nfs/dbraw/zinc/28/31/94/1018283194.db2.gz HXQISOZUUJVHQP-BZUAXINKSA-N 2 0 307.438 0.747 20 30 DCEDRP COCC#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001495264401 1018429846 /nfs/dbraw/zinc/42/98/46/1018429846.db2.gz CURAKRPUOZMVJU-WMZOPIPTSA-N 2 0 321.465 0.995 20 30 DCEDRP COCC#CC[N@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001480733701 1018838152 /nfs/dbraw/zinc/83/81/52/1018838152.db2.gz RGTQTJPIMWKDMM-MRXNPFEDSA-N 2 0 321.465 0.901 20 30 DCEDRP C#CC[NH2+]C1CCN(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001501261580 1018993472 /nfs/dbraw/zinc/99/34/72/1018993472.db2.gz DDISSEUGEJJVLY-UHFFFAOYSA-N 2 0 306.454 0.274 20 30 DCEDRP CC(C)(C(=O)NCC[NH+]1CCC(NCC#N)CC1)[NH+]1CCCC1 ZINC001501269264 1018997486 /nfs/dbraw/zinc/99/74/86/1018997486.db2.gz ZWNNOEAWIHJDPE-UHFFFAOYSA-N 2 0 321.469 0.555 20 30 DCEDRP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001501647260 1019355545 /nfs/dbraw/zinc/35/55/45/1019355545.db2.gz FGYCYAOIQSVPOP-SJORKVTESA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH2+]C[C@H]1CCCCN1C(=O)C1CC[NH+](CC#C)CC1 ZINC001501898475 1019544852 /nfs/dbraw/zinc/54/48/52/1019544852.db2.gz JMPGKZGQIIMOGG-QGZVFWFLSA-N 2 0 301.434 0.936 20 30 DCEDRP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001493793330 1019712002 /nfs/dbraw/zinc/71/20/02/1019712002.db2.gz GVPASRUESHAIKB-GFCCVEGCSA-N 2 0 303.834 0.755 20 30 DCEDRP C[N@@H+]1CC[C@](O)(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000262280460 529809222 /nfs/dbraw/zinc/80/92/22/529809222.db2.gz IYQOXUXUMXJKEP-INIZCTEOSA-N 2 0 320.393 0.641 20 30 DCEDRP CN(CCC#N)C(=O)CC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182952055 529887897 /nfs/dbraw/zinc/88/78/97/529887897.db2.gz ANMFYKHOFAZBGH-UHFFFAOYSA-N 2 0 309.458 0.318 20 30 DCEDRP Cc1cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])ccc1C#N ZINC000420448493 240031234 /nfs/dbraw/zinc/03/12/34/240031234.db2.gz FAHYHVWGKMFKLG-UHFFFAOYSA-N 2 0 310.423 0.555 20 30 DCEDRP COCCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000285218980 285004516 /nfs/dbraw/zinc/00/45/16/285004516.db2.gz XHFKVQHIASOGIV-GXTWGEPZSA-N 2 0 308.430 0.354 20 30 DCEDRP C[NH+]1CCC(N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC1 ZINC000365845172 397325227 /nfs/dbraw/zinc/32/52/27/397325227.db2.gz VISZGASFCKWNQG-ZDUSSCGKSA-N 2 0 301.394 0.785 20 30 DCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[S@](=O)C(C)(C)C ZINC000304752766 685211459 /nfs/dbraw/zinc/21/14/59/685211459.db2.gz KOOFRNBAEAZTQZ-ODXCJYRJSA-N 2 0 302.488 0.922 20 30 DCEDRP C#CCN(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000290862437 415825214 /nfs/dbraw/zinc/82/52/14/415825214.db2.gz BLDTUYCDSPDWFL-UHFFFAOYSA-N 2 0 315.421 0.868 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000178123853 416157286 /nfs/dbraw/zinc/15/72/86/416157286.db2.gz RJRROYWCGYMTND-MRXNPFEDSA-N 2 0 319.449 0.512 20 30 DCEDRP C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339438173 416157751 /nfs/dbraw/zinc/15/77/51/416157751.db2.gz ASIXAIRLDWTZGK-CZUORRHYSA-N 2 0 308.426 0.804 20 30 DCEDRP Cn1cc(CNCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1C#N ZINC000359768084 416357977 /nfs/dbraw/zinc/35/79/77/416357977.db2.gz QDYGQOYSPWSLSH-CQSZACIVSA-N 2 0 303.410 0.574 20 30 DCEDRP C[C@@H](C[NH3+])NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000418614647 416387920 /nfs/dbraw/zinc/38/79/20/416387920.db2.gz JJJQYYJNCAYDOQ-ZDUSSCGKSA-N 2 0 303.410 0.979 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000419725352 416406371 /nfs/dbraw/zinc/40/63/71/416406371.db2.gz IIXPQOONTOCPEI-UKRRQHHQSA-N 2 0 322.453 0.387 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)NCCCC[NH+]1CCOCC1 ZINC000491677390 416613000 /nfs/dbraw/zinc/61/30/00/416613000.db2.gz YKQMQDWVOUWAJX-UHFFFAOYSA-N 2 0 310.442 0.353 20 30 DCEDRP C#CCN1CCN(C(=O)CN(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000490865562 416577922 /nfs/dbraw/zinc/57/79/22/416577922.db2.gz DSBIJPUOHWMONH-IRXDYDNUSA-N 2 0 320.481 0.426 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CCOC)CC2)CC1 ZINC000370631865 416901774 /nfs/dbraw/zinc/90/17/74/416901774.db2.gz UCKVUDOJWFHFPZ-UHFFFAOYSA-N 2 0 307.438 0.512 20 30 DCEDRP C=CC[C@]1(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)CCC[NH2+]1 ZINC000662746776 417883120 /nfs/dbraw/zinc/88/31/20/417883120.db2.gz ROUMZUQITAIXFC-NVXWUHKLSA-N 2 0 307.438 0.865 20 30 DCEDRP C=CC[C@]1(C(=O)NC[C@H](C)N2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000662756463 417891828 /nfs/dbraw/zinc/89/18/28/417891828.db2.gz HXOAJXOPWGXFPD-DOTOQJQBSA-N 2 0 308.470 0.827 20 30 DCEDRP C=CC[C@]1(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CCC[NH2+]1 ZINC000662756238 417893089 /nfs/dbraw/zinc/89/30/89/417893089.db2.gz ILGVYDXRQHVGNJ-FUHWJXTLSA-N 2 0 320.481 0.923 20 30 DCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418358062 262275383 /nfs/dbraw/zinc/27/53/83/262275383.db2.gz DKBGLLYLABMKNB-MRXNPFEDSA-N 2 0 315.421 0.993 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)NCC1(N2CCOCC2)CC1 ZINC000491523288 333113609 /nfs/dbraw/zinc/11/36/09/333113609.db2.gz CVDAJQZPRSFCSK-UHFFFAOYSA-N 2 0 308.426 0.106 20 30 DCEDRP C[C@@H](CNC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)N1CCOCC1 ZINC000329821402 336086001 /nfs/dbraw/zinc/08/60/01/336086001.db2.gz YNLSWVSUCDCWGT-IPYPFGDCSA-N 2 0 310.442 0.693 20 30 DCEDRP CC(C)(CNC(=O)CN[C@@H]1CCC[C@H]1C#N)N1CCOCC1 ZINC000332547363 336174102 /nfs/dbraw/zinc/17/41/02/336174102.db2.gz CSACJWJQMXJSIB-UONOGXRCSA-N 2 0 308.426 0.495 20 30 DCEDRP C#CCNC(=O)CC[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000491650697 339871110 /nfs/dbraw/zinc/87/11/10/339871110.db2.gz BFCOVLGENCVHTF-UHFFFAOYSA-N 2 0 309.454 0.949 20 30 DCEDRP C[NH+]=C(NCCn1ccnc1C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261769849 526368120 /nfs/dbraw/zinc/36/81/20/526368120.db2.gz NWWNTBJMRNYLDC-IUODEOHRSA-N 2 0 304.442 0.839 20 30 DCEDRP C[NH+]=C(NCc1ccc(C(N)=O)o1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262339520 526381550 /nfs/dbraw/zinc/38/15/50/526381550.db2.gz CJKXKQSLQIACEE-GFCCVEGCSA-N 2 0 317.393 0.400 20 30 DCEDRP C=CCNC(=[NH2+])NCc1cccc(CNC(=[NH2+])NCC=C)c1 ZINC000274189159 526388809 /nfs/dbraw/zinc/38/88/09/526388809.db2.gz KNWZJNZIVZXNTG-UHFFFAOYSA-N 2 0 300.410 0.867 20 30 DCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)Cc1ccccc1 ZINC000264308406 529100570 /nfs/dbraw/zinc/10/05/70/529100570.db2.gz UMRGRRUJMLMYBG-HOTGVXAUSA-N 2 0 304.438 0.979 20 30 DCEDRP C=C[C@@](C)(O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000667680802 546637455 /nfs/dbraw/zinc/63/74/55/546637455.db2.gz RJTSNMRWEMCISR-QGZVFWFLSA-N 2 0 318.421 0.647 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC000668836488 546856845 /nfs/dbraw/zinc/85/68/45/546856845.db2.gz ZRRBXTSKLNPYTP-HNNXBMFYSA-N 2 0 322.453 0.354 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC000668836489 546857572 /nfs/dbraw/zinc/85/75/72/546857572.db2.gz ZRRBXTSKLNPYTP-OAHLLOKOSA-N 2 0 322.453 0.354 20 30 DCEDRP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC000978248241 660506226 /nfs/dbraw/zinc/50/62/26/660506226.db2.gz KGMQPFIDJBEZHZ-LUKYLMHMSA-N 2 0 303.450 0.892 20 30 DCEDRP C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001027888602 660888731 /nfs/dbraw/zinc/88/87/31/660888731.db2.gz VAYLUGXBRSHMFW-CQSZACIVSA-N 2 0 305.426 0.825 20 30 DCEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)N2CCOCC2)C1 ZINC000980454779 660945872 /nfs/dbraw/zinc/94/58/72/660945872.db2.gz YZURQBBRNUHCEV-HOTGVXAUSA-N 2 0 307.438 0.816 20 30 DCEDRP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C2)C1 ZINC000981784723 661216175 /nfs/dbraw/zinc/21/61/75/661216175.db2.gz PTAOWHVWRYWTHW-HZPDHXFCSA-N 2 0 319.449 0.960 20 30 DCEDRP C#CCCN1CCO[C@@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC000972552650 657764455 /nfs/dbraw/zinc/76/44/55/657764455.db2.gz QQPRDBGIQAFGBR-WMZOPIPTSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891920804 657917463 /nfs/dbraw/zinc/91/74/63/657917463.db2.gz DKRICCJJKKGHAZ-HNNXBMFYSA-N 2 0 322.453 0.399 20 30 DCEDRP C#CC[NH2+]C1CC(N(C)C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC000998803835 665529073 /nfs/dbraw/zinc/52/90/73/665529073.db2.gz CVXCCLJBSJCFEU-UHFFFAOYSA-N 2 0 300.406 0.974 20 30 DCEDRP C#CCN1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000969834319 658191184 /nfs/dbraw/zinc/19/11/84/658191184.db2.gz XJJHCTSUBQZBGG-YOEHRIQHSA-N 2 0 319.449 0.700 20 30 DCEDRP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972673924 658222836 /nfs/dbraw/zinc/22/28/36/658222836.db2.gz MCOPTAXXQQDRAK-DOTOQJQBSA-N 2 0 307.438 0.818 20 30 DCEDRP C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1=O ZINC000969985446 658325595 /nfs/dbraw/zinc/32/55/95/658325595.db2.gz IOZBJFZEAPLCOO-ILXRZTDVSA-N 2 0 322.453 0.304 20 30 DCEDRP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001024506552 658671703 /nfs/dbraw/zinc/67/17/03/658671703.db2.gz MZFAOQCFNFBUDQ-BZUAXINKSA-N 2 0 307.438 0.700 20 30 DCEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000970170497 658688842 /nfs/dbraw/zinc/68/88/42/658688842.db2.gz STJITZSQIPWMJE-KDWRMLKXSA-N 2 0 317.433 0.309 20 30 DCEDRP C[C@@H]1C[C@@H](NC(NCC(=O)N(C)C)=[NH+]C2CC2)C[N@@H+]1C1CC1 ZINC000262252609 658896087 /nfs/dbraw/zinc/89/60/87/658896087.db2.gz CFUYTMIDEQYASF-DGCLKSJQSA-N 2 0 307.442 0.397 20 30 DCEDRP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]21 ZINC001026387809 659274660 /nfs/dbraw/zinc/27/46/60/659274660.db2.gz FBDFDVWCFOMEEY-BHYGNILZSA-N 2 0 319.449 0.557 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2C[C@@H](C)OC)CC1 ZINC001028333564 661461628 /nfs/dbraw/zinc/46/16/28/661461628.db2.gz OMXBCXIVLVUDJJ-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2C[C@H](C)OC)CC1 ZINC001028333562 661461825 /nfs/dbraw/zinc/46/18/25/661461825.db2.gz OMXBCXIVLVUDJJ-DOTOQJQBSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CC[N@H+]1CC[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001028545507 661605044 /nfs/dbraw/zinc/60/50/44/661605044.db2.gz HQWQOJSADGTSDH-AWEZNQCLSA-N 2 0 305.426 0.682 20 30 DCEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001028551879 661605535 /nfs/dbraw/zinc/60/55/35/661605535.db2.gz AKPYUPXHHXICEX-XJKSGUPXSA-N 2 0 315.421 0.861 20 30 DCEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001028643735 661716002 /nfs/dbraw/zinc/71/60/02/661716002.db2.gz RJTNCAZZLPSKNE-HUUCEWRRSA-N 2 0 300.406 0.907 20 30 DCEDRP CN1CC[N@H+](C)C[C@@H]1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000262535942 662466886 /nfs/dbraw/zinc/46/68/86/662466886.db2.gz PNXQJSRFEZMFFH-ZFWWWQNUSA-N 2 0 317.437 0.660 20 30 DCEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C ZINC000987169030 662650503 /nfs/dbraw/zinc/65/05/03/662650503.db2.gz ONTKNSSGZALPLS-HIFRSBDPSA-N 2 0 305.426 0.823 20 30 DCEDRP C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001000715592 665920841 /nfs/dbraw/zinc/92/08/41/665920841.db2.gz SUXSPAKQDLILKP-CVEARBPZSA-N 2 0 303.406 0.231 20 30 DCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000900696469 663269605 /nfs/dbraw/zinc/26/96/05/663269605.db2.gz SVFYQJTXTOYQJB-HNNXBMFYSA-N 2 0 310.486 0.884 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@H](C)OC)CC1 ZINC001032800760 665977090 /nfs/dbraw/zinc/97/70/90/665977090.db2.gz YKRVVTPTDQZJAA-XIRDDKMYSA-N 2 0 319.449 0.652 20 30 DCEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000911235613 664009055 /nfs/dbraw/zinc/00/90/55/664009055.db2.gz GDVFZKZVYAKPGZ-QLFBSQMISA-N 2 0 320.437 0.152 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000730285723 664676740 /nfs/dbraw/zinc/67/67/40/664676740.db2.gz GKFSDTWMDNYGHN-JYJNAYRXSA-N 2 0 305.422 0.142 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000922629690 666498767 /nfs/dbraw/zinc/49/87/67/666498767.db2.gz YLNHDRXZKLMNRT-CABCVRRESA-N 2 0 324.494 0.821 20 30 DCEDRP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CC1(C)C ZINC000995591714 666506175 /nfs/dbraw/zinc/50/61/75/666506175.db2.gz UFCCXUSFRJWRKV-QWHCGFSZSA-N 2 0 315.845 0.896 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+]([C@@H](C)COC)C2)CC1 ZINC001033684367 666795156 /nfs/dbraw/zinc/79/51/56/666795156.db2.gz NVSYLMRHZVLNJV-DOTOQJQBSA-N 2 0 321.465 0.899 20 30 DCEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001033686626 666795431 /nfs/dbraw/zinc/79/54/31/666795431.db2.gz REERVAIRZBCHKS-QGZVFWFLSA-N 2 0 301.434 0.888 20 30 DCEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CN(CC)CCO2)CC1 ZINC000997430621 667291414 /nfs/dbraw/zinc/29/14/14/667291414.db2.gz FOJWBJPLTQPJTF-GDBMZVCRSA-N 2 0 307.438 0.557 20 30 DCEDRP C#CCN1CCC[C@H](NC(=O)NCCC[N@@H+](C)CCOC)C1 ZINC000884198310 667495494 /nfs/dbraw/zinc/49/54/94/667495494.db2.gz RZEWCEXJUSLSLE-HNNXBMFYSA-N 2 0 310.442 0.352 20 30 DCEDRP CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000884213128 667500290 /nfs/dbraw/zinc/50/02/90/667500290.db2.gz UNRLMODPJKNJPC-INCLHDFMSA-N 2 0 302.422 0.821 20 30 DCEDRP CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000884213130 667500449 /nfs/dbraw/zinc/50/04/49/667500449.db2.gz UNRLMODPJKNJPC-QZWLQQCHSA-N 2 0 302.422 0.821 20 30 DCEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000884642474 667581153 /nfs/dbraw/zinc/58/11/53/667581153.db2.gz KFGGIKAHIPQACB-CABCVRRESA-N 2 0 320.437 0.106 20 30 DCEDRP C#CCN(C(=O)C1CC[NH+](CC#C)CC1)C1CC[NH+](C)CC1 ZINC000886583115 667779536 /nfs/dbraw/zinc/77/95/36/667779536.db2.gz BMMOWSMFMGNTOF-UHFFFAOYSA-N 2 0 301.434 0.888 20 30 DCEDRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000872238154 667881246 /nfs/dbraw/zinc/88/12/46/667881246.db2.gz DOJLIYVGTCTSGI-ROUUACIJSA-N 2 0 314.433 0.223 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000747216927 667897123 /nfs/dbraw/zinc/89/71/23/667897123.db2.gz FLNAAWDSVCRZKK-UHFFFAOYSA-N 2 0 303.410 0.728 20 30 DCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000876776288 668509129 /nfs/dbraw/zinc/50/91/29/668509129.db2.gz HDTKRRIMDCRGOC-CYBMUJFWSA-N 2 0 302.850 0.599 20 30 DCEDRP COCC[NH2+]CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876792243 668511873 /nfs/dbraw/zinc/51/18/73/668511873.db2.gz UQXNXRZVYGKCGI-HNNXBMFYSA-N 2 0 302.378 0.097 20 30 DCEDRP CN(CCOCC[NH3+])C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877056446 668558374 /nfs/dbraw/zinc/55/83/74/668558374.db2.gz LQWMOLYEAAFILK-HNNXBMFYSA-N 2 0 302.378 0.179 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC#C)[C@@H](C)C2)CC1 ZINC000948070191 670053436 /nfs/dbraw/zinc/05/34/36/670053436.db2.gz NNTUHTKZBJWUDA-RDJZCZTQSA-N 2 0 301.434 0.934 20 30 DCEDRP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@H+]1C)CCO2 ZINC000949052092 670248075 /nfs/dbraw/zinc/24/80/75/670248075.db2.gz WXQWSASLPUNGEQ-MRXNPFEDSA-N 2 0 319.449 0.797 20 30 DCEDRP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)CCO2 ZINC000949244565 670295864 /nfs/dbraw/zinc/29/58/64/670295864.db2.gz NZLZUOUHYDVPTQ-INIZCTEOSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CCN1CCOC2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000949509721 670357825 /nfs/dbraw/zinc/35/78/25/670357825.db2.gz XWQUSUSFGQHNBE-MRXNPFEDSA-N 2 0 319.449 0.655 20 30 DCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000854093227 670523983 /nfs/dbraw/zinc/52/39/83/670523983.db2.gz ZKYUCMUIUAZDNT-INIZCTEOSA-N 2 0 322.453 0.182 20 30 DCEDRP C[NH+]=C(NCc1ccco1)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000848984119 670744953 /nfs/dbraw/zinc/74/49/53/670744953.db2.gz QHCVAAUVPTYYFG-UHFFFAOYSA-N 2 0 307.442 0.971 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](CCO)CC2)CC1 ZINC000160725886 685139257 /nfs/dbraw/zinc/13/92/57/685139257.db2.gz XBFWTLHOYYDAOX-UHFFFAOYSA-N 2 0 307.438 0.152 20 30 DCEDRP CN(C(=[NH2+])NCc1ccnc(N2CC[NH+](C)CC2)c1)C1CC1 ZINC000305835049 685217650 /nfs/dbraw/zinc/21/76/50/685217650.db2.gz WGVRXNHQJRDWFT-UHFFFAOYSA-N 2 0 302.426 0.742 20 30 DCEDRP C#CC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1CC ZINC001037970179 693976229 /nfs/dbraw/zinc/97/62/29/693976229.db2.gz MORAXNJFSRMKIR-RDJZCZTQSA-N 2 0 321.465 0.947 20 30 DCEDRP CC#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214827 687447355 /nfs/dbraw/zinc/44/73/55/687447355.db2.gz NNEHAMQRNNMZBR-GJZGRUSLSA-N 2 0 305.422 0.047 20 30 DCEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC000958222509 687454708 /nfs/dbraw/zinc/45/47/08/687454708.db2.gz FANAXUIAQPVFHD-GDBMZVCRSA-N 2 0 312.373 0.380 20 30 DCEDRP C#CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958222677 687455168 /nfs/dbraw/zinc/45/51/68/687455168.db2.gz FWJSUQUHWBXWIY-HOCLYGCPSA-N 2 0 312.373 0.380 20 30 DCEDRP CC#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958261771 687490126 /nfs/dbraw/zinc/49/01/26/687490126.db2.gz AQGUNGOFRCYNIO-GOEBONIOSA-N 2 0 312.373 0.380 20 30 DCEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC000958261770 687490599 /nfs/dbraw/zinc/49/05/99/687490599.db2.gz AQGUNGOFRCYNIO-GDBMZVCRSA-N 2 0 312.373 0.380 20 30 DCEDRP C=CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC000958344730 687564527 /nfs/dbraw/zinc/56/45/27/687564527.db2.gz JLFLGRMVMXCMMX-UONOGXRCSA-N 2 0 307.394 0.550 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCC)C[C@H]2O)CC1 ZINC000958724134 687877142 /nfs/dbraw/zinc/87/71/42/687877142.db2.gz LWUNNILNZWTRIG-JKSUJKDBSA-N 2 0 307.438 0.151 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@@H](CC)OC)C2)CC1 ZINC001016337159 692656091 /nfs/dbraw/zinc/65/60/91/692656091.db2.gz POFPYVHBFBVBIB-IAGOWNOFSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC23CC[NH+](CC#C)CC3)CC1 ZINC001016986421 692821158 /nfs/dbraw/zinc/82/11/58/692821158.db2.gz QRDXGYSZGRXRDS-QGZVFWFLSA-N 2 0 313.445 0.936 20 30 DCEDRP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1=O ZINC001019394479 693461197 /nfs/dbraw/zinc/46/11/97/693461197.db2.gz IOZBJFZEAPLCOO-ZNMIVQPWSA-N 2 0 322.453 0.304 20 30 DCEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001073746495 694776416 /nfs/dbraw/zinc/77/64/16/694776416.db2.gz ZMVYHGDTWTVSKE-YESZJQIVSA-N 2 0 321.465 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]C[C@@H](C)O)[C@@H]2C)CC1 ZINC001075128925 694939394 /nfs/dbraw/zinc/93/93/94/694939394.db2.gz KEGQUSGEAQAYNJ-YCPHGPKFSA-N 2 0 307.438 0.291 20 30 DCEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077007561 695123839 /nfs/dbraw/zinc/12/38/39/695123839.db2.gz RQQDLOKCLYNMST-BZUAXINKSA-N 2 0 307.438 0.456 20 30 DCEDRP COCC#CC[NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001570578586 1162548125 /nfs/dbraw/zinc/54/81/25/1162548125.db2.gz YMINFTIFDOPDCS-UHFFFAOYSA-N 2 0 305.422 0.216 20 30 DCEDRP CC#CC[NH2+][C@H](C)CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001571388542 1162728681 /nfs/dbraw/zinc/72/86/81/1162728681.db2.gz RYGRWQWMKGULQJ-CQSZACIVSA-N 2 0 305.426 0.518 20 30 DCEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001571583523 1162827312 /nfs/dbraw/zinc/82/73/12/1162827312.db2.gz CXTWBCCFNAEZRF-OAHLLOKOSA-N 2 0 314.389 0.689 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[NH2+]C[C@@H](C)CC)CC1 ZINC001571597014 1162841170 /nfs/dbraw/zinc/84/11/70/1162841170.db2.gz DINPMGCKIVCONE-RDJZCZTQSA-N 2 0 323.481 0.787 20 30 DCEDRP CCN(CC#CCOC)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001691019957 1157401804 /nfs/dbraw/zinc/40/18/04/1157401804.db2.gz LZBMPHXORVWTET-MRXNPFEDSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]C[C@@H]2CCCOC2)CC1 ZINC001772517042 1157408532 /nfs/dbraw/zinc/40/85/32/1157408532.db2.gz JXZHYMSTFFNVNJ-HOTGVXAUSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CC2CCOCC2)CC1 ZINC001772517063 1157408546 /nfs/dbraw/zinc/40/85/46/1157408546.db2.gz WWODESSYGLVUDK-HNNXBMFYSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001691184402 1157608978 /nfs/dbraw/zinc/60/89/78/1157608978.db2.gz KPXCDJIDMNBCBQ-JCNLHEQBSA-N 2 0 301.434 0.839 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001755083572 1157915699 /nfs/dbraw/zinc/91/56/99/1157915699.db2.gz UFMJGAGCZGBNRK-ZBFHGGJFSA-N 2 0 313.417 0.243 20 30 DCEDRP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001267928901 1157949060 /nfs/dbraw/zinc/94/90/60/1157949060.db2.gz GYNRZCJIKUITQD-WKILWMFISA-N 2 0 321.465 0.995 20 30 DCEDRP C#CC[NH2+]C[C@](C)(NC(=O)C1CC[NH+](CC#C)CC1)C1CC1 ZINC001753526889 1158037357 /nfs/dbraw/zinc/03/73/57/1158037357.db2.gz FBOTYWCJIDOPIV-SFHVURJKSA-N 2 0 301.434 0.839 20 30 DCEDRP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001691535455 1158317244 /nfs/dbraw/zinc/31/72/44/1158317244.db2.gz FNEQBXWPZBMQCA-OAHLLOKOSA-N 2 0 307.438 0.554 20 30 DCEDRP C#CCC[NH2+]C[C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001566909563 1159851109 /nfs/dbraw/zinc/85/11/09/1159851109.db2.gz ZYDALUFKCDBSGM-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001566793396 1160155157 /nfs/dbraw/zinc/15/51/57/1160155157.db2.gz QLXQCFKTYXIPLC-BZUAXINKSA-N 2 0 307.438 0.747 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001567709246 1160460911 /nfs/dbraw/zinc/46/09/11/1160460911.db2.gz KBAAKOJIXDILIB-SJORKVTESA-N 2 0 321.465 0.806 20 30 DCEDRP C#CC[NH2+]CC[C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001568073504 1160572901 /nfs/dbraw/zinc/57/29/01/1160572901.db2.gz YNMLYNRJWSPUJY-MRXNPFEDSA-N 2 0 321.465 0.949 20 30 DCEDRP COCC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001568535448 1160672216 /nfs/dbraw/zinc/67/22/16/1160672216.db2.gz DVDOCBGEHHNEAF-CVEARBPZSA-N 2 0 321.465 0.853 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001569036601 1160923946 /nfs/dbraw/zinc/92/39/46/1160923946.db2.gz PDGQCLIWIWPDMU-MRXNPFEDSA-N 2 0 309.454 0.997 20 30 DCEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001569765726 1161234069 /nfs/dbraw/zinc/23/40/69/1161234069.db2.gz QKMJCTNYWXCLAB-KRWDZBQOSA-N 2 0 307.438 0.439 20 30 DCEDRP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001569811280 1161254491 /nfs/dbraw/zinc/25/44/91/1161254491.db2.gz OOYQWWWAJQCYKH-GJZGRUSLSA-N 2 0 317.437 0.518 20 30 DCEDRP C#CCC[NH2+]C1CCN(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001569889137 1161296975 /nfs/dbraw/zinc/29/69/75/1161296975.db2.gz XAQYVZKSEVDWCK-MRXNPFEDSA-N 2 0 320.481 0.522 20 30 DCEDRP C#CCN(C)c1nnc([C@H]2CCC[NH2+]C2)n1C[C@@H](C)[NH+](C)C ZINC001574604445 1163734290 /nfs/dbraw/zinc/73/42/90/1163734290.db2.gz PYUSAFMCZVVHGO-KGLIPLIRSA-N 2 0 304.442 0.765 20 30 DCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]1[NH+]1CCC(O)CC1 ZINC001574852362 1163772395 /nfs/dbraw/zinc/77/23/95/1163772395.db2.gz RQHJBUPPKDEGDM-MJBXVCDLSA-N 2 0 315.845 0.950 20 30 DCEDRP C[NH+](C)CC#CCNC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC001578413005 1165004821 /nfs/dbraw/zinc/00/48/21/1165004821.db2.gz DNQXOIBVKHBARS-GOEBONIOSA-N 2 0 318.396 0.827 20 30 DCEDRP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cc1 ZINC001579198831 1165234327 /nfs/dbraw/zinc/23/43/27/1165234327.db2.gz DBLRXQUZINVXKP-BMFZPTHFSA-N 2 0 316.405 0.962 20 30 DCEDRP N#CC1(C[C@H](O)C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)CCOCC1 ZINC001580038537 1165481606 /nfs/dbraw/zinc/48/16/06/1165481606.db2.gz OEXSPASZYJHPDQ-CVEARBPZSA-N 2 0 322.453 0.037 20 30 DCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC001580047040 1165486109 /nfs/dbraw/zinc/48/61/09/1165486109.db2.gz BRVMRCWSPKUICJ-OAHLLOKOSA-N 2 0 308.426 0.721 20 30 DCEDRP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001656228249 1173853509 /nfs/dbraw/zinc/85/35/09/1173853509.db2.gz FIJHQMRVPDNXOD-KOMQPUFPSA-N 2 0 317.437 0.566 20 30 DCEDRP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001656780740 1173883964 /nfs/dbraw/zinc/88/39/64/1173883964.db2.gz ZEBGPSVWKOXGOZ-MRXNPFEDSA-N 2 0 323.481 0.883 20 30 DCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCO1 ZINC001673306739 1174020348 /nfs/dbraw/zinc/02/03/48/1174020348.db2.gz ZPKDLKZGQHTAPA-IAGOWNOFSA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001661352796 1174117779 /nfs/dbraw/zinc/11/77/79/1174117779.db2.gz JDTVZFOZVOKTNA-HNNXBMFYSA-N 2 0 322.453 0.211 20 30 DCEDRP C#CCN1CCC[C@H]1C(=O)NCCN(C)[C@@H](C)C(=O)NCCC ZINC001663201032 1174274926 /nfs/dbraw/zinc/27/49/26/1174274926.db2.gz IXICGSBARWSRPE-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC#CCOC)C1 ZINC001663645459 1174338513 /nfs/dbraw/zinc/33/85/13/1174338513.db2.gz VHOVIGYCBCNYQV-SJORKVTESA-N 2 0 321.465 0.949 20 30 DCEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001666454018 1174604034 /nfs/dbraw/zinc/60/40/34/1174604034.db2.gz LJSCEZRBFSWWAR-ZIAGYGMSSA-N 2 0 310.442 0.209 20 30 DCEDRP COCC#CC[NH2+]C[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001666563164 1174610544 /nfs/dbraw/zinc/61/05/44/1174610544.db2.gz IUZGYRMWAJBOHF-JKSUJKDBSA-N 2 0 309.454 0.853 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001666563161 1174611042 /nfs/dbraw/zinc/61/10/42/1174611042.db2.gz IUZGYRMWAJBOHF-CVEARBPZSA-N 2 0 309.454 0.853 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001669930633 1174963627 /nfs/dbraw/zinc/96/36/27/1174963627.db2.gz QCHMYMIIWXWYHD-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001671603430 1175021136 /nfs/dbraw/zinc/02/11/36/1175021136.db2.gz QHRRBQCEPWNPGH-INIZCTEOSA-N 2 0 318.465 0.180 20 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1175242352 /nfs/dbraw/zinc/24/23/52/1175242352.db2.gz UTHXLWRFCOQVHF-HNNXBMFYSA-N 2 0 307.438 0.701 20 30 DCEDRP C=CCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001674085555 1175252082 /nfs/dbraw/zinc/25/20/82/1175252082.db2.gz ZYHCHHFESNONLY-OAHLLOKOSA-N 2 0 309.454 0.990 20 30 DCEDRP C#CC[N@H+](C)CCOCCNC(=O)C1CC[NH+](CC#C)CC1 ZINC001676140011 1175426214 /nfs/dbraw/zinc/42/62/14/1175426214.db2.gz NKBLJMXEWPYTPA-UHFFFAOYSA-N 2 0 305.422 0.029 20 30 DCEDRP CC#CC[NH2+]CCCOCCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001676187874 1175427946 /nfs/dbraw/zinc/42/79/46/1175427946.db2.gz WUJREMALNMWLGB-KRWDZBQOSA-N 2 0 307.438 0.608 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001690279236 1177203809 /nfs/dbraw/zinc/20/38/09/1177203809.db2.gz XODXRDFZMAMMME-AAVRWANBSA-N 2 0 302.378 0.400 20 30 DCEDRP COCC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001690376935 1177227506 /nfs/dbraw/zinc/22/75/06/1177227506.db2.gz RDUDKPVJZJCFRM-CVEARBPZSA-N 2 0 307.438 0.559 20 30 DCEDRP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001690751493 1177318172 /nfs/dbraw/zinc/31/81/72/1177318172.db2.gz LXOIYTONUBQMJL-OAHLLOKOSA-N 2 0 307.438 0.723 20 30 DCEDRP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001691985675 1177396945 /nfs/dbraw/zinc/39/69/45/1177396945.db2.gz YWXJPCHHEVUYFC-OAHLLOKOSA-N 2 0 317.437 0.472 20 30 DCEDRP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001698746666 1177627646 /nfs/dbraw/zinc/62/76/46/1177627646.db2.gz UDLDJTRJPZAMAP-OAHLLOKOSA-N 2 0 307.438 0.865 20 30 DCEDRP COCC#CC[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001698977136 1177744311 /nfs/dbraw/zinc/74/43/11/1177744311.db2.gz FKRGHSLMVBZTGR-OAHLLOKOSA-N 2 0 307.438 0.462 20 30 DCEDRP COCC#CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001699011493 1177770141 /nfs/dbraw/zinc/77/01/41/1177770141.db2.gz AJVGTCQMEJOWMO-DLBZAZTESA-N 2 0 319.449 0.655 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1=O ZINC001699417262 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ZINC001707213483 1180436727 /nfs/dbraw/zinc/43/67/27/1180436727.db2.gz PUAXWOPCPBRHQY-JKSUJKDBSA-N 2 0 309.454 0.800 20 30 DCEDRP C#CC[N@@H+](CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001713049832 1180650896 /nfs/dbraw/zinc/65/08/96/1180650896.db2.gz XDENVCOPHKLPHC-HNNXBMFYSA-N 2 0 307.438 0.559 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001713070778 1180662382 /nfs/dbraw/zinc/66/23/82/1180662382.db2.gz RXBBPAXONXZXSC-INIZCTEOSA-N 2 0 306.454 0.085 20 30 DCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001713192310 1180713420 /nfs/dbraw/zinc/71/34/20/1180713420.db2.gz WZXLWXVVTRFZSO-OWCLPIDISA-N 2 0 305.422 0.215 20 30 DCEDRP COCC#CC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001713654548 1180998445 /nfs/dbraw/zinc/99/84/45/1180998445.db2.gz FGFIIGVHSZJDEF-JKSUJKDBSA-N 2 0 309.454 0.805 20 30 DCEDRP C=C(C)C[NH+]1CCN(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001713806508 1181082455 /nfs/dbraw/zinc/08/24/55/1181082455.db2.gz DQWPOGDFXHQIFW-UHFFFAOYSA-N 2 0 308.470 0.781 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001714019700 1181205259 /nfs/dbraw/zinc/20/52/59/1181205259.db2.gz AYASUESXMLRNEF-NMWPEEMBSA-N 2 0 322.453 0.398 20 30 DCEDRP COCC#CC[NH2+]C[C@](C)(NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001714179281 1181274152 /nfs/dbraw/zinc/27/41/52/1181274152.db2.gz ZOTMALZZSGARIW-KRWDZBQOSA-N 2 0 309.454 0.851 20 30 DCEDRP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001714391301 1181348419 /nfs/dbraw/zinc/34/84/19/1181348419.db2.gz PVMVHTATKCCSCS-GDBMZVCRSA-N 2 0 307.438 0.320 20 30 DCEDRP COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001714898831 1181594430 /nfs/dbraw/zinc/59/44/30/1181594430.db2.gz YYPGVSKHXGYDLE-DLBZAZTESA-N 2 0 321.465 0.901 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001715124708 1181696158 /nfs/dbraw/zinc/69/61/58/1181696158.db2.gz NFBXCTXXHHMRDE-DYVFJYSZSA-N 2 0 322.453 0.115 20 30 DCEDRP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001715961630 1182120926 /nfs/dbraw/zinc/12/09/26/1182120926.db2.gz PWHRWDHGOQAEAH-CABCVRRESA-N 2 0 324.469 0.457 20 30 DCEDRP C=CCN1CC[C@H]([NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001716329885 1182338511 /nfs/dbraw/zinc/33/85/11/1182338511.db2.gz KUFNZWPYMPGTEJ-ZYOQUQOHSA-N 2 0 320.437 0.130 20 30 DCEDRP C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001716975753 1182608322 /nfs/dbraw/zinc/60/83/22/1182608322.db2.gz RMZWALVFRDZIMV-WBVHZDCISA-N 2 0 301.434 0.791 20 30 DCEDRP COCC#CC[N@H+]1C[C@H]2CN(C(=O)CCc3c[nH]cn3)C[C@H]2C1 ZINC001717010709 1182620927 /nfs/dbraw/zinc/62/09/27/1182620927.db2.gz NLXNYOCHRYEDEI-GASCZTMLSA-N 2 0 316.405 0.382 20 30 DCEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001717060352 1182657811 /nfs/dbraw/zinc/65/78/11/1182657811.db2.gz SJITXUUJTVMPSG-MRXNPFEDSA-N 2 0 313.417 0.243 20 30 DCEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001717125334 1182684048 /nfs/dbraw/zinc/68/40/48/1182684048.db2.gz IHLBNFUZKHKKIN-ULQDDVLXSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)C[C@H](C)OC)CC1 ZINC001717500061 1182866228 /nfs/dbraw/zinc/86/62/28/1182866228.db2.gz OPXXEQVJZVWJSF-CABCVRRESA-N 2 0 309.454 0.803 20 30 DCEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001717784386 1183000437 /nfs/dbraw/zinc/00/04/37/1183000437.db2.gz KGIFIJQNRRCGOF-HZPDHXFCSA-N 2 0 309.454 0.587 20 30 DCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@@H]1C ZINC001717793340 1183004522 /nfs/dbraw/zinc/00/45/22/1183004522.db2.gz ZUELJCYRUADOCM-CABCVRRESA-N 2 0 317.437 0.661 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]1C ZINC001717801523 1183007448 /nfs/dbraw/zinc/00/74/48/1183007448.db2.gz GNHHRZKPROACPX-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001717924303 1183064475 /nfs/dbraw/zinc/06/44/75/1183064475.db2.gz GWXFSCODHRDSMN-JKSUJKDBSA-N 2 0 309.454 0.541 20 30 DCEDRP CN(C[C@H](O)C[NH2+]CC#Cc1ccccc1)C(=O)CC[NH+](C)C ZINC001717926231 1183066197 /nfs/dbraw/zinc/06/61/97/1183066197.db2.gz RIWWSHQMVDFECM-QGZVFWFLSA-N 2 0 317.433 0.399 20 30 DCEDRP COCC#CC[N@H+](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001722918061 1184232266 /nfs/dbraw/zinc/23/22/66/1184232266.db2.gz ZZBDIGUNJOGTEY-INIZCTEOSA-N 2 0 309.454 0.949 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)CCOCC)CC1 ZINC001722915164 1184232468 /nfs/dbraw/zinc/23/24/68/1184232468.db2.gz FOGXRGXCQPVDDX-OAHLLOKOSA-N 2 0 309.454 0.805 20 30 DCEDRP C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)CC[NH+](C)C)C2)C1=O ZINC001724173768 1184396121 /nfs/dbraw/zinc/39/61/21/1184396121.db2.gz MGIAODCDXKIUAP-PBHICJAKSA-N 2 0 322.453 0.306 20 30 DCEDRP C=CC[NH2+]C1CCN(CCNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001724630202 1184481297 /nfs/dbraw/zinc/48/12/97/1184481297.db2.gz ITRMBBFQHCTZLT-SFHVURJKSA-N 2 0 320.481 0.829 20 30 DCEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001724690754 1184524582 /nfs/dbraw/zinc/52/45/82/1184524582.db2.gz YRGQNFGJDCZMNE-JKSUJKDBSA-N 2 0 309.454 0.541 20 30 DCEDRP CC#CC[NH+]1CCC(CO)(NC(=O)C[C@H](C)n2ccnc2)CC1 ZINC001725023892 1184660377 /nfs/dbraw/zinc/66/03/77/1184660377.db2.gz VPZQDBVXYXSNDN-HNNXBMFYSA-N 2 0 318.421 0.801 20 30 DCEDRP C=CC[NH2+][C@H](CO)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001725537257 1184869384 /nfs/dbraw/zinc/86/93/84/1184869384.db2.gz ASZPHWLVMVZONX-SWLSCSKDSA-N 2 0 301.406 0.452 20 30 DCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC001725570192 1184890054 /nfs/dbraw/zinc/89/00/54/1184890054.db2.gz VGLBJORZACWYRU-GOEBONIOSA-N 2 0 317.437 0.661 20 30 DCEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001725764966 1184986103 /nfs/dbraw/zinc/98/61/03/1184986103.db2.gz CULPEQAHALQJAP-HZPDHXFCSA-N 2 0 309.454 0.539 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001731297449 1185246935 /nfs/dbraw/zinc/24/69/35/1185246935.db2.gz NNYSWXOADUGRGA-HUUCEWRRSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001731297448 1185247414 /nfs/dbraw/zinc/24/74/14/1185247414.db2.gz NNYSWXOADUGRGA-GJZGRUSLSA-N 2 0 322.453 0.047 20 30 DCEDRP C#CCN1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001731357930 1185289609 /nfs/dbraw/zinc/28/96/09/1185289609.db2.gz OXMPILHQOFBMJS-KRWDZBQOSA-N 2 0 320.481 0.618 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CC[C@H]2CCCO2)CC1 ZINC001731640931 1185423212 /nfs/dbraw/zinc/42/32/12/1185423212.db2.gz QMVOCJJDMBNICB-NVXWUHKLSA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001731859677 1185534698 /nfs/dbraw/zinc/53/46/98/1185534698.db2.gz FKHRXVQXDMVOTM-LSDHHAIUSA-N 2 0 322.453 0.211 20 30 DCEDRP COCC#CC[NH2+]C[C@@](C)(NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001732248741 1185748827 /nfs/dbraw/zinc/74/88/27/1185748827.db2.gz LHMPIAXHBMVGTC-QGZVFWFLSA-N 2 0 321.465 0.853 20 30 DCEDRP C#CCC[NH2+]C[C@H](C)N(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001732444934 1185820200 /nfs/dbraw/zinc/82/02/00/1185820200.db2.gz NFVJCTLCTWXTGI-AWEZNQCLSA-N 2 0 305.426 0.518 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]CC#CCOC)CC1 ZINC001732753846 1185949935 /nfs/dbraw/zinc/94/99/35/1185949935.db2.gz IIKVZRBDRJKIOO-INIZCTEOSA-N 2 0 319.449 0.466 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001733330594 1186230228 /nfs/dbraw/zinc/23/02/28/1186230228.db2.gz WWNCQBGWLUIRLB-CVEARBPZSA-N 2 0 309.454 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001733444745 1186272457 /nfs/dbraw/zinc/27/24/57/1186272457.db2.gz FHOWCTOYPPVHSF-WMLDXEAASA-N 2 0 322.453 0.069 20 30 DCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001733818536 1186460330 /nfs/dbraw/zinc/46/03/30/1186460330.db2.gz FMEDDVYDQUXFRC-INIZCTEOSA-N 2 0 305.422 0.191 20 30 DCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001733888806 1186487522 /nfs/dbraw/zinc/48/75/22/1186487522.db2.gz IXHAJBCHCZUTNH-GASCZTMLSA-N 2 0 307.438 0.436 20 30 DCEDRP CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001734184159 1186573165 /nfs/dbraw/zinc/57/31/65/1186573165.db2.gz RCLXXMVCASQYPO-JKSUJKDBSA-N 2 0 309.454 0.947 20 30 DCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCOCC)C[C@H]2C)CC1 ZINC001734431307 1186651738 /nfs/dbraw/zinc/65/17/38/1186651738.db2.gz VPOMAWBWHWEAKM-NVXWUHKLSA-N 2 0 321.465 0.947 20 30 DCEDRP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001752462972 1188424372 /nfs/dbraw/zinc/42/43/72/1188424372.db2.gz JCUNGKLUGFOEDO-YUELXQCFSA-N 2 0 322.453 0.113 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001752943725 1188465718 /nfs/dbraw/zinc/46/57/18/1188465718.db2.gz OTOHEFONVGBEPO-HUUCEWRRSA-N 2 0 322.453 0.211 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001752959329 1188468328 /nfs/dbraw/zinc/46/83/28/1188468328.db2.gz QICYVHAZLFIDCC-HUUCEWRRSA-N 2 0 322.453 0.069 20 30 DCEDRP COCC#CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001752983847 1188471263 /nfs/dbraw/zinc/47/12/63/1188471263.db2.gz PWGHLGCOVJAHPJ-HOTGVXAUSA-N 2 0 309.454 0.993 20 30 DCEDRP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001753358796 1188572663 /nfs/dbraw/zinc/57/26/63/1188572663.db2.gz BKAHPTJBROIXQP-IRXDYDNUSA-N 2 0 321.465 0.758 20 30 DCEDRP CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC#CCOC ZINC001753474047 1188605733 /nfs/dbraw/zinc/60/57/33/1188605733.db2.gz RAGZWSODWQYGOQ-JKSUJKDBSA-N 2 0 307.438 0.462 20 30 DCEDRP C=CCNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001753515375 1188612944 /nfs/dbraw/zinc/61/29/44/1188612944.db2.gz YYDIWEDSJDKSGQ-YOEHRIQHSA-N 2 0 322.453 0.257 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001753601513 1188622232 /nfs/dbraw/zinc/62/22/32/1188622232.db2.gz PQGWHJWODVSYSU-ZNMIVQPWSA-N 2 0 324.469 0.598 20 30 DCEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001753628812 1188626878 /nfs/dbraw/zinc/62/68/78/1188626878.db2.gz FHSNJLRTVHHDTP-KBPBESRZSA-N 2 0 324.469 0.361 20 30 DCEDRP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001753899500 1188674580 /nfs/dbraw/zinc/67/45/80/1188674580.db2.gz LGASHNNGDGUCSQ-WBVHZDCISA-N 2 0 321.465 0.995 20 30 DCEDRP C=CCC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001754767649 1188930270 /nfs/dbraw/zinc/93/02/70/1188930270.db2.gz UUEXOAFRUBRAQT-GDBMZVCRSA-N 2 0 321.465 0.846 20 30 DCEDRP C=C(C)C[N@H+]1CCC[C@@](CO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001754857553 1188951419 /nfs/dbraw/zinc/95/14/19/1188951419.db2.gz JWDLYHNPNBQKEP-QGZVFWFLSA-N 2 0 309.454 0.847 20 30 DCEDRP C=CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001755211414 1189055770 /nfs/dbraw/zinc/05/57/70/1189055770.db2.gz SOTXBIZWBVALRV-XSCHDIRWSA-N 2 0 322.453 0.113 20 30 DCEDRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC#CCOC)CC[N@@H+]1C ZINC001755587312 1189153317 /nfs/dbraw/zinc/15/33/17/1189153317.db2.gz AKBBXFYGQIBUBF-OWCLPIDISA-N 2 0 309.454 0.803 20 30 DCEDRP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C ZINC001755839910 1189232831 /nfs/dbraw/zinc/23/28/31/1189232831.db2.gz NVZARJIYVOEFQH-AWEZNQCLSA-N 2 0 324.469 0.197 20 30 DCEDRP